From 347a3c8a1d738c25ae5b11b3b84a67098bada669 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Fri, 13 Mar 2026 12:31:35 +0100
Subject: [PATCH 01/31] Switch to pydoclint

---
 .copier-answers.yml                           |   2 +-
 .github/workflows/lint-format.yml             |  90 ++++-----
 .pre-commit-config.yaml                       |  31 +--
 CONTRIBUTING.md                               | 179 +++++++++++-------
 pixi.lock                                     |  50 ++++-
 pixi.toml                                     |  17 +-
 pyproject.toml                                | 143 +++++++++++---
 tools/{add_spdx.py => add_license_headers.py} |   0
 ...check_spdx.py => check_license_headers.py} |   0
 ...move_spdx.py => remove_license_headers.py} |   0
 10 files changed, 352 insertions(+), 160 deletions(-)
 rename tools/{add_spdx.py => add_license_headers.py} (100%)
 rename tools/{check_spdx.py => check_license_headers.py} (100%)
 rename tools/{remove_spdx.py => remove_license_headers.py} (100%)

diff --git a/.copier-answers.yml b/.copier-answers.yml
index 4003a370e..b8de5ab8f 100644
--- a/.copier-answers.yml
+++ b/.copier-answers.yml
@@ -1,6 +1,6 @@
 # WARNING: Do not edit this file manually.
 # Any changes will be overwritten by Copier.
-_commit: v0.10.1-2-gd05af4f
+_commit: v0.10.1-23-g55e8e0e
 _src_path: gh:easyscience/templates
 app_docs_url: https://easyscience.github.io/dynamics-app
 app_doi: 10.5281/zenodo.18877180
diff --git a/.github/workflows/lint-format.yml b/.github/workflows/lint-format.yml
index fc451d14f..457d67f4b 100644
--- a/.github/workflows/lint-format.yml
+++ b/.github/workflows/lint-format.yml
@@ -1,9 +1,12 @@
-# The workflow is divided into several steps:
-#   - Check the validity of pyproject.toml
-#   - Check code linting
-#   - Check code formatting
-#   - Check formatting of docstrings in the code
-#   - Check formatting of Markdown, YAML, TOML, etc. files
+# The workflow checks
+#  - the validity of pyproject.toml,
+#  - the presence and correctness of SPDX license headers,
+#  - linting and formatting of Python code,
+#  - linting and formatting of docstrings in Python code,
+#  - formatting of non-Python files (like markdown and toml).
+#  - linting of Python code in Jupyter notebooks (for library template).
+#
+# A summary of the checks is added to the GitHub Actions summary.
 
 name: Lint and format checks
 
@@ -46,56 +49,53 @@ jobs:
       - name: Run post-install developer steps
         run: pixi run post-install
 
-      # Check the validity of pyproject.toml
       - name: Check validity of pyproject.toml
-        id: check_pyproject
+        id: pyproject
         continue-on-error: true
         shell: bash
         run: pixi run pyproject-check
 
-      # Check the presence and correctness of SPDX license headers in
-      # the code files
       - name: Check SPDX license headers
-        id: check_spdx_headers
+        id: license_headers
         continue-on-error: true
         shell: bash
-        run: pixi run spdx-check
+        run: pixi run license-check
 
-      # Check code linting with Ruff in the project root
-      - name: Check code linting
-        id: check_code_linting
+      - name: Check linting of Python code
+        id: py_lint
         continue-on-error: true
         shell: bash
         run: pixi run py-lint-check
 
-      # Check code formatting with Ruff in the project root
-      - name: Check code formatting
-        id: check_code_formatting
+      - name: Check formatting of Python code
+        id: py_format
         continue-on-error: true
         shell: bash
         run: pixi run py-format-check
 
-      # Check formatting of docstrings in the code with docformatter
-      - name: Check formatting of docstrings in the code
-        id: check_docs_formatting
+      - name: Check linting of docstrings in Python code
+        id: docstring_lint
         continue-on-error: true
         shell: bash
-        run: pixi run docs-format-check
+        run: pixi run docstring-lint-check
 
-      # Check formatting of MD, YAML, TOML, etc. files with Prettier in
-      # the project root
-      - name: Check formatting of MD, YAML, TOML, etc. files
-        id: check_others_formatting
+      - name: Check formatting of docstrings in Python code
+        id: docstring_format
+        continue-on-error: true
+        shell: bash
+        run: pixi run docstring-format-check
+
+      - name: Check formatting of non-Python files (md, toml, etc.)
+        id: nonpy_format
         continue-on-error: true
         shell: bash
         run: pixi run nonpy-format-check
 
-      # Check formatting of Jupyter Notebooks in the tutorials folder
-      - name: Prepare notebooks and check formatting
-        id: check_notebooks_formatting
+      - name: Check linting of Python code in Jupyter notebooks (ipynb)
+        id: notebook_lint
         continue-on-error: true
         shell: bash
-        run: pixi run notebook-format-check
+        run: pixi run notebook-lint-check
 
       # Add summary
       - name: Add quality checks summary
@@ -107,24 +107,26 @@ jobs:
             echo ""
             echo "| Check | Status |"
             echo "|-------|--------|"
-            echo "| pyproject.toml   | ${{ steps.check_pyproject.outcome == 'success' && '✅' || '❌' }} |"
-            echo "| SPDX headers     | ${{ steps.check_spdx_headers.outcome == 'success' && '✅' || '❌' }} |"
-            echo "| py lint          | ${{ steps.check_code_linting.outcome == 'success' && '✅' || '❌' }} |"
-            echo "| py format        | ${{ steps.check_code_formatting.outcome == 'success' && '✅' || '❌' }} |"
-            echo "| docstring format | ${{ steps.check_docs_formatting.outcome == 'success' && '✅' || '❌' }} |"
-            echo "| nonpy format     | ${{ steps.check_others_formatting.outcome == 'success' && '✅' || '❌' }} |"
-            echo "| notebooks format | ${{ steps.check_notebooks_formatting.outcome == 'success' && '✅' || '❌' }} |"
+            echo "| pyproject.toml   | ${{ steps.pyproject.outcome == 'success' && '✅' || '❌' }} |"
+            echo "| license headers  | ${{ steps.license_headers.outcome == 'success' && '✅'  || '❌' }} |"
+            echo "| py lint          | ${{ steps.py_lint.outcome == 'success' && '✅' || '❌' }} |"
+            echo "| py format        | ${{ steps.py_format.outcome == 'success' && '✅' || '❌' }} |"
+            echo "| docstring lint   | ${{ steps.docstring_lint.outcome == 'success' && '✅' || '❌' }} |"
+            echo "| docstring format | ${{ steps.docstring_format.outcome == 'success' && '✅' || '❌' }} |"
+            echo "| nonpy format     | ${{ steps.nonpy_format.outcome == 'success' && '✅' || '❌' }} |"
+            echo "| notebooks lint   | ${{ steps.notebook_lint.outcome == 'success' && '✅' || '❌' }} |"
           } >> "$GITHUB_STEP_SUMMARY"
 
       # Fail job if any check failed
       - name: Fail job if any check failed
         if: |
-          steps.check_pyproject.outcome == 'failure'
-          || steps.check_spdx_headers.outcome == 'failure'
-          || steps.check_code_linting.outcome == 'failure'
-          || steps.check_code_formatting.outcome == 'failure'
-          || steps.check_docs_formatting.outcome == 'failure'
-          || steps.check_others_formatting.outcome == 'failure'
-          || steps.check_notebooks_formatting.outcome == 'failure'
+          steps.pyproject.outcome == 'failure'
+          || steps.license_headers.outcome == 'failure'
+          || steps.py_lint.outcome == 'failure'
+          || steps.py_format.outcome == 'failure'
+          || steps.docstring_lint.outcome == 'failure'
+          || steps.docstring_format.outcome == 'failure'
+          || steps.nonpy_format.outcome == 'failure'
+          || steps.notebook_lint.outcome == 'failure'
         shell: bash
         run: exit 1
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
index feb102db2..5fa0c2cbb 100644
--- a/.pre-commit-config.yaml
+++ b/.pre-commit-config.yaml
@@ -11,9 +11,9 @@ repos:
         pass_filenames: false
         stages: [manual]
 
-      - id: spdx-headers-check
-        name: pixi run spdx-check
-        entry: pixi run spdx-check
+      - id: license-headers-check
+        name: pixi run license-check
+        entry: pixi run license-check
         language: system
         pass_filenames: false
         stages: [manual]
@@ -32,23 +32,30 @@ repos:
         pass_filenames: false
         stages: [manual]
 
-      - id: pixi-nonpy-format-check
-        name: pixi run nonpy-format-check
-        entry: pixi run nonpy-format-check
+      - id: pixi-docstring-lint-check
+        name: pixi run docstring-lint-check
+        entry: pixi run docstring-lint-check
+        language: system
+        pass_filenames: false
+        stages: [manual]
+
+      - id: pixi-docstring-format-check
+        name: pixi run docstring-format-check
+        entry: pixi run docstring-format-check
         language: system
         pass_filenames: false
         stages: [manual]
 
-      - id: pixi-docs-format-check
-        name: pixi run docs-format-check
-        entry: pixi run docs-format-check
+      - id: pixi-nonpy-format-check
+        name: pixi run nonpy-format-check
+        entry: pixi run nonpy-format-check
         language: system
         pass_filenames: false
         stages: [manual]
 
-      - id: pixi-notebook-format-check
-        name: pixi run notebook-format-check
-        entry: pixi run notebook-format-check
+      - id: pixi-notebook-lint-check
+        name: pixi run notebook-lint-check
+        entry: pixi run notebook-lint-check
         language: system
         pass_filenames: false
         stages: [manual]
diff --git a/CONTRIBUTING.md b/CONTRIBUTING.md
index d3dd2479e..85365779f 100644
--- a/CONTRIBUTING.md
+++ b/CONTRIBUTING.md
@@ -2,7 +2,7 @@
 
 Thank you for your interest in contributing to **EasyDynamics**!
 
-This guide explains how to:
+This guide explains how you can:
 
 - Report issues
 - Contribute code
@@ -39,7 +39,7 @@ Please make sure you follow the EasyScience organization-wide
 
 ## How to Interact With This Project
 
-If you are not planning to modify the code, you may want to:
+If you are not planning to contribute code, you may want to:
 
 - 🐞 Report a bug — see [Reporting Issues](#11-reporting-issues)
 - 🛡 Report a security issue — see
@@ -62,17 +62,18 @@ We use the following branches:
 
 - `master` — stable releases only
 - `develop` — active development branch
-- Short-lived branches — one branch per contribution
-
-All normal contributions must target the `develop` branch.
-
-This means:
-
-- Do **not** open Pull Requests against `master`
-- Always create your branch from `develop`
-- Always target `develop` when opening a Pull Request
-
-See ADR easyscience/.github#12 for full details on the branching
+- Short-lived branches — feature or fix branches created for a single
+  contribution and deleted after merge
+
+> [!IMPORTANT]
+>
+> All normal contributions must target the `develop` branch.
+>
+> - Do **not** open Pull Requests against `master`
+> - Always create your branch from `develop`
+> - Always target `develop` when opening a Pull Request
+
+See ADR easyscience/.github#12 for more details on the branching
 strategy.
 
 ---
@@ -122,8 +123,8 @@ This ensures you are working on the latest version of the project.
 
 ### 2.2. If You Are a Core Team Member
 
-Core team members do not need to fork the repository. You can create a
-new branch directly from `develop`, but the rest of the workflow remains
+Core team members can create branches directly in this repository and
+therefore do not need to fork it, but the rest of the workflow remains
 the same.
 
 ---
@@ -150,12 +151,13 @@ Set up the environment:
 
 ```bash
 pixi install
-pixi run post-install
+pixi run post-install  # Install additional tooling
 ```
 
 After this step, your development environment is ready.
 
-See ADR easyscience/.github#63 for more details about this decision.
+See ADR easyscience/.github#63 for more details about using Pixi for
+development.
 
 ---
 
@@ -166,14 +168,16 @@ Never work directly on `develop`.
 Create a new branch:
 
 ```bash
-git checkout -b my-change
+git checkout -b my-change develop
 ```
 
-Use a clear and descriptive name, for example:
-
-- `improve-solver-speed`
-- `fix-boundary-condition`
-- `add-tutorial-example`
+> [!IMPORTANT]
+>
+> Use a clear and descriptive name, for example:
+>
+> - `improve-solver-speed`
+> - `fix-boundary-condition`
+> - `add-tutorial-example`
 
 Clear branch names make reviews and history easier to understand.
 
@@ -181,12 +185,7 @@ Clear branch names make reviews and history easier to understand.
 
 ## 5. Implementing Your Changes
 
-While developing:
-
-- Make small, logical commits
-- Write clear and descriptive commit messages
-- Follow the Google docstring convention
-- Add or update unit tests if behavior changes
+While developing, make small, logical commits with clear messages.
 
 Example:
 
@@ -195,48 +194,57 @@ git add .
 git commit -m "Improve performance of time integrator for large systems"
 ```
 
-Run tests locally:
-
-```bash
-pixi run unit-tests
-```
-
-Running tests frequently is strongly recommended.
-
 ---
 
 ## 6. Code Quality Checks
 
+> [!IMPORTANT]
+>
+> When adding new functionality or making changes, make sure to add or
+> update the following as needed:
+>
+> - 📘 docstrings
+> - 🧪 unit tests
+
 Before opening a Pull Request, always run:
 
 ```bash
 pixi run check
 ```
 
-This command runs:
+This command:
 
-- Formatting checks
-- Linting
-- Docstring validation
-- Notebook checks
-- Unit tests
-- Other project validations
+- Validates the pyproject.toml file
+- Checks for licence headers in code files
+- Identifies linting and formatting issues in Python code
+- Checks docstring linting and formatting issues in Python code
+- Detects formatting issues in non-Python files (MD, YAML, TOML etc.)
+- Checks linting issues in Jupyter notebooks (if applicable)
+- Runs unit tests
 
 A successful run should look like this:
 
 ```bash
-pixi run pyproject-check...................................Passed
-pixi run py-lint-check.....................................Passed
-pixi run py-format-check...................................Passed
-pixi run nonpy-format-check................................Passed
-pixi run docs-format-check.................................Passed
-pixi run notebook-format-check.............................Passed
-pixi run unit-tests........................................Passed
+pixi run pyproject-check.......................Passed
+pixi run license-check.........................Passed
+pixi run py-lint-check.........................Passed
+pixi run py-format-check.......................Passed
+pixi run docstring-lint-check..................Passed
+pixi run docstring-format-check................Passed
+pixi run nonpy-format-check....................Passed
+pixi run notebook-lint-check...................Passed
+pixi run unit-tests............................Passed
 ```
 
 If something fails, read the error message carefully and fix the issue.
 
-You can run individual checks, for example:
+You can run individual checks, for example, to run only unit tests:
+
+```bash
+pixi run unit-tests
+```
+
+or to run only Python linting checks:
 
 ```bash
 pixi run py-lint-check
@@ -251,7 +259,7 @@ pixi run fix
 If everything is correctly formatted, you will see:
 
 ```text
-✅ All code auto-formatting steps have been applied.
+✅ All auto-formatting steps completed successfully!
 ```
 
 This indicates that the auto-formatting pipeline completed successfully.
@@ -264,7 +272,9 @@ If errors are reported, resolve them and re-run:
 pixi run check
 ```
 
-All checks must pass before your Pull Request can be merged.
+> [!IMPORTANT]
+>
+> All checks must pass before your Pull Request can be merged.
 
 If you are unsure how to fix an issue, ask for help in your Pull Request
 discussion.
@@ -289,8 +299,10 @@ On GitHub:
 
 ### Pull Request Title
 
-The PR title appears in release notes and changelogs. It should be
-concise and informative.
+> [!IMPORTANT]
+>
+> The PR title appears in release notes and changelogs. It should be
+> concise and informative.
 
 Good examples:
 
@@ -302,7 +314,12 @@ Good examples:
 
 ### Required `[scope]` Label
 
-Each Pull Request must include one `[scope]` label:
+> [!IMPORTANT]
+>
+> Each Pull Request must include a `[scope]` label, which is used for
+> automatically suggesting version bumps when preparing a new release.
+
+The available scopes are:
 
 | Label                   | Description                                                             |
 | ----------------------- | ----------------------------------------------------------------------- |
@@ -312,7 +329,8 @@ Each Pull Request must include one `[scope]` label:
 | `[scope] maintenance`   | Code/tooling cleanup without feature or bug fix (major.minor.**PATCH**) |
 | `[scope] significant`   | Breaking or major changes (**MAJOR**.minor.patch)                       |
 
-See ADR easyscience/.github#33 for full versioning rules.
+See ADR easyscience/.github#33 for more details on the standardized
+labeling scheme.
 
 ---
 
@@ -355,7 +373,19 @@ git push
 
 ## 10. Documentation Contributions
 
-If your change affects users, update the documentation.
+> [!IMPORTANT]
+>
+> If your change affects user-facing functionality, update the project
+> documentation accordingly — specifically the `nav:` (navigation)
+> structure in `mkdocs.yml` and the relevant documentation Markdown
+> files in `docs/docs/`.
+>
+> ```text
+> 📁 docs
+> ├── 📁 docs        - Markdown files for documentation
+> │   └── ...
+> └── 📄 mkdocs.yml  - Configuration file (navigation, theme, etc.)
+> ```
 
 This may include:
 
@@ -376,31 +406,40 @@ Open the URL shown in the terminal to review your changes.
 
 ## 11. Reporting Issues
 
-If you find a bug but do not want to fix it:
+If you find a bug but cannot work on a fix, please consider opening an
+issue.
+
+When reporting an issue, it helps to:
 
-- Search existing issues first
-- Provide clear reproduction steps
-- Include logs and environment details
+- Search existing issues first.
+- Provide clear reproduction steps.
+- Include logs, screenshots, and environment details.
 
-Clear issue reports help maintainers significantly.
+Clear and detailed reports help maintainers investigate and resolve
+issues more effectively.
 
 ---
 
 ## 12. Security Issues
 
-Do **not** report security vulnerabilities publicly.
+> [!IMPORTANT]
+>
+> Please do **not** report security vulnerabilities publicly.
 
-If you discover a potential vulnerability, contact the maintainers
-privately.
+If you discover a potential vulnerability, please contact the
+maintainers privately so the issue can be investigated and addressed
+responsibly.
 
 ---
 
 ## 13. Releases
 
-Releases are created by merging `develop` into `master`.
+Once your contribution is merged into `develop`, it will eventually be
+included in the next stable release.
 
-Once your contribution is merged into `develop`, it will be included in
-the next stable release.
+When enough changes have accumulated in `develop`, core team members
+merge `develop` into `master` to prepare a new release. The release is
+then tagged and published on GitHub and PyPI.
 
 ---
 
diff --git a/pixi.lock b/pixi.lock
index 79b0bdd02..44a745743 100644
--- a/pixi.lock
+++ b/pixi.lock
@@ -84,6 +84,7 @@ environments:
       - pypi: https://files.pythonhosted.org/packages/1e/77/dc8c558f7593132cf8fefec57c4f60c83b16941c574ac5f619abb3ae7933/dill-0.4.1-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/33/6b/e0547afaf41bf2c42e52430072fa5658766e3d65bd4b03a563d1b6336f57/distlib-0.4.0-py2.py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/dc/b4/a7ec1eaee86761a9dbfd339732b4706db3c6b65e970c12f0f56cfcce3dcf/docformatter-1.7.7-py3-none-any.whl
+      - pypi: https://files.pythonhosted.org/packages/bf/50/98b146aea0f1cd7531d25f12bea69fa9ce8d1662124f93fb30dc4511b65e/docstring_parser_fork-0.0.14-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/87/10/2c7edbf230e5c507d38367af498fa94258ed97205d9b4b6f63a921fe9c49/dunamai-1.26.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/64/f2/9d779717fd4ff4136d009a8023704f7eb37f2231fbfbe49eb9b430315bcc/easyscience-2.2.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/ab/84/02fc1827e8cdded4aa65baef11296a9bbe595c474f0d6d758af082d849fd/execnet-2.1.2-py3-none-any.whl
@@ -200,6 +201,7 @@ environments:
       - pypi: https://files.pythonhosted.org/packages/0c/c3/44f3fbbfa403ea2a7c779186dc20772604442dde72947e7d01069cbe98e3/pycparser-3.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/5a/87/b70ad306ebb6f9b585f114d0ac2137d792b48be34d732d60e597c2f8465a/pydantic-2.12.5-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/0d/76/941cc9f73529988688a665a5c0ecff1112b3d95ab48f81db5f7606f522d3/pydantic_core-2.41.5-cp312-cp312-manylinux_2_17_x86_64.manylinux2014_x86_64.whl
+      - pypi: https://files.pythonhosted.org/packages/87/6f/cc2b231dc78d8c3aaa674a676db190b8f8071c50134af8f8cf39b9b8e8df/pydoclint-0.8.3-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/c7/21/705964c7812476f378728bdf590ca4b771ec72385c533964653c68e86bdc/pygments-2.19.2-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/6f/2c/5b079febdc65e1c3fb2729bf958d18b45be7113828528e8a0b5850dd819a/pymdown_extensions-10.21-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/10/bd/c038d7cc38edc1aa5bf91ab8068b63d4308c66c4c8bb3cbba7dfbc049f9c/pyparsing-3.3.2-py3-none-any.whl
@@ -334,6 +336,7 @@ environments:
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       - pypi: https://files.pythonhosted.org/packages/33/6b/e0547afaf41bf2c42e52430072fa5658766e3d65bd4b03a563d1b6336f57/distlib-0.4.0-py2.py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/dc/b4/a7ec1eaee86761a9dbfd339732b4706db3c6b65e970c12f0f56cfcce3dcf/docformatter-1.7.7-py3-none-any.whl
+      - pypi: https://files.pythonhosted.org/packages/bf/50/98b146aea0f1cd7531d25f12bea69fa9ce8d1662124f93fb30dc4511b65e/docstring_parser_fork-0.0.14-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/87/10/2c7edbf230e5c507d38367af498fa94258ed97205d9b4b6f63a921fe9c49/dunamai-1.26.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/64/f2/9d779717fd4ff4136d009a8023704f7eb37f2231fbfbe49eb9b430315bcc/easyscience-2.2.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/ab/84/02fc1827e8cdded4aa65baef11296a9bbe595c474f0d6d758af082d849fd/execnet-2.1.2-py3-none-any.whl
@@ -450,6 +453,7 @@ environments:
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+      - pypi: https://files.pythonhosted.org/packages/87/6f/cc2b231dc78d8c3aaa674a676db190b8f8071c50134af8f8cf39b9b8e8df/pydoclint-0.8.3-py3-none-any.whl
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+      - pypi: https://files.pythonhosted.org/packages/bf/50/98b146aea0f1cd7531d25f12bea69fa9ce8d1662124f93fb30dc4511b65e/docstring_parser_fork-0.0.14-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/87/10/2c7edbf230e5c507d38367af498fa94258ed97205d9b4b6f63a921fe9c49/dunamai-1.26.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/64/f2/9d779717fd4ff4136d009a8023704f7eb37f2231fbfbe49eb9b430315bcc/easyscience-2.2.0-py3-none-any.whl
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@@ -2464,6 +2483,7 @@ environments:
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       - pypi: https://files.pythonhosted.org/packages/5a/87/b70ad306ebb6f9b585f114d0ac2137d792b48be34d732d60e597c2f8465a/pydantic-2.12.5-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/5f/5d/5f6c63eebb5afee93bcaae4ce9a898f3373ca23df3ccaef086d0233a35a7/pydantic_core-2.41.5-cp312-cp312-macosx_10_12_x86_64.whl
+      - pypi: https://files.pythonhosted.org/packages/87/6f/cc2b231dc78d8c3aaa674a676db190b8f8071c50134af8f8cf39b9b8e8df/pydoclint-0.8.3-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/c7/21/705964c7812476f378728bdf590ca4b771ec72385c533964653c68e86bdc/pygments-2.19.2-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/6f/2c/5b079febdc65e1c3fb2729bf958d18b45be7113828528e8a0b5850dd819a/pymdown_extensions-10.21-py3-none-any.whl
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@@ -2598,6 +2618,7 @@ environments:
       - pypi: https://files.pythonhosted.org/packages/1e/77/dc8c558f7593132cf8fefec57c4f60c83b16941c574ac5f619abb3ae7933/dill-0.4.1-py3-none-any.whl
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       - pypi: https://files.pythonhosted.org/packages/dc/b4/a7ec1eaee86761a9dbfd339732b4706db3c6b65e970c12f0f56cfcce3dcf/docformatter-1.7.7-py3-none-any.whl
+      - pypi: https://files.pythonhosted.org/packages/bf/50/98b146aea0f1cd7531d25f12bea69fa9ce8d1662124f93fb30dc4511b65e/docstring_parser_fork-0.0.14-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/87/10/2c7edbf230e5c507d38367af498fa94258ed97205d9b4b6f63a921fe9c49/dunamai-1.26.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/64/f2/9d779717fd4ff4136d009a8023704f7eb37f2231fbfbe49eb9b430315bcc/easyscience-2.2.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/ab/84/02fc1827e8cdded4aa65baef11296a9bbe595c474f0d6d758af082d849fd/execnet-2.1.2-py3-none-any.whl
@@ -2714,6 +2735,7 @@ environments:
       - pypi: https://files.pythonhosted.org/packages/0c/c3/44f3fbbfa403ea2a7c779186dc20772604442dde72947e7d01069cbe98e3/pycparser-3.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/5a/87/b70ad306ebb6f9b585f114d0ac2137d792b48be34d732d60e597c2f8465a/pydantic-2.12.5-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/aa/32/9c2e8ccb57c01111e0fd091f236c7b371c1bccea0fa85247ac55b1e2b6b6/pydantic_core-2.41.5-cp312-cp312-macosx_11_0_arm64.whl
+      - pypi: https://files.pythonhosted.org/packages/87/6f/cc2b231dc78d8c3aaa674a676db190b8f8071c50134af8f8cf39b9b8e8df/pydoclint-0.8.3-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/c7/21/705964c7812476f378728bdf590ca4b771ec72385c533964653c68e86bdc/pygments-2.19.2-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/6f/2c/5b079febdc65e1c3fb2729bf958d18b45be7113828528e8a0b5850dd819a/pymdown_extensions-10.21-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/10/bd/c038d7cc38edc1aa5bf91ab8068b63d4308c66c4c8bb3cbba7dfbc049f9c/pyparsing-3.3.2-py3-none-any.whl
@@ -2838,6 +2860,7 @@ environments:
       - pypi: https://files.pythonhosted.org/packages/1e/77/dc8c558f7593132cf8fefec57c4f60c83b16941c574ac5f619abb3ae7933/dill-0.4.1-py3-none-any.whl
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       - pypi: https://files.pythonhosted.org/packages/dc/b4/a7ec1eaee86761a9dbfd339732b4706db3c6b65e970c12f0f56cfcce3dcf/docformatter-1.7.7-py3-none-any.whl
+      - pypi: https://files.pythonhosted.org/packages/bf/50/98b146aea0f1cd7531d25f12bea69fa9ce8d1662124f93fb30dc4511b65e/docstring_parser_fork-0.0.14-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/87/10/2c7edbf230e5c507d38367af498fa94258ed97205d9b4b6f63a921fe9c49/dunamai-1.26.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/64/f2/9d779717fd4ff4136d009a8023704f7eb37f2231fbfbe49eb9b430315bcc/easyscience-2.2.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/ab/84/02fc1827e8cdded4aa65baef11296a9bbe595c474f0d6d758af082d849fd/execnet-2.1.2-py3-none-any.whl
@@ -2952,6 +2975,7 @@ environments:
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       - pypi: https://files.pythonhosted.org/packages/5a/87/b70ad306ebb6f9b585f114d0ac2137d792b48be34d732d60e597c2f8465a/pydantic-2.12.5-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/86/45/00173a033c801cacf67c190fef088789394feaf88a98a7035b0e40d53dc9/pydantic_core-2.41.5-cp312-cp312-win_amd64.whl
+      - pypi: https://files.pythonhosted.org/packages/87/6f/cc2b231dc78d8c3aaa674a676db190b8f8071c50134af8f8cf39b9b8e8df/pydoclint-0.8.3-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/c7/21/705964c7812476f378728bdf590ca4b771ec72385c533964653c68e86bdc/pygments-2.19.2-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/6f/2c/5b079febdc65e1c3fb2729bf958d18b45be7113828528e8a0b5850dd819a/pymdown_extensions-10.21-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/10/bd/c038d7cc38edc1aa5bf91ab8068b63d4308c66c4c8bb3cbba7dfbc049f9c/pyparsing-3.3.2-py3-none-any.whl
@@ -4029,6 +4053,17 @@ packages:
   - tomli>=2.0.0,<3.0.0 ; python_full_version < '3.11' and extra == 'tomli'
   - untokenize>=0.1.1,<0.2.0
   requires_python: '>=3.9,<4.0'
+- pypi: https://files.pythonhosted.org/packages/bf/50/98b146aea0f1cd7531d25f12bea69fa9ce8d1662124f93fb30dc4511b65e/docstring_parser_fork-0.0.14-py3-none-any.whl
+  name: docstring-parser-fork
+  version: 0.0.14
+  sha256: 4c544f234ef2cc2749a3df32b70c437d77888b1099143a1ad5454452c574b9af
+  requires_dist:
+  - docstring-parser[docs] ; extra == 'dev'
+  - docstring-parser[test] ; extra == 'dev'
+  - pre-commit>=2.16.0 ; python_full_version >= '3.9' and extra == 'dev'
+  - pydoctor>=25.4.0 ; extra == 'docs'
+  - pytest ; extra == 'test'
+  requires_python: '>=3.8'
 - pypi: https://files.pythonhosted.org/packages/87/10/2c7edbf230e5c507d38367af498fa94258ed97205d9b4b6f63a921fe9c49/dunamai-1.26.0-py3-none-any.whl
   name: dunamai
   version: 1.26.0
@@ -4039,8 +4074,8 @@ packages:
   requires_python: '>=3.5'
 - pypi: ./
   name: easydynamics
-  version: 0.2.0+dev17
-  sha256: a7275b719cb0a568d02f7ae8fd44370175019772c2629eac30bbec5e0adbfdd3
+  version: 0.2.1+dev5
+  sha256: 84cc733227e0d2e7a4af52c5ffeab65da604d6253e6d7584f192bf59685802e8
   requires_dist:
   - darkdetect
   - easyscience
@@ -4073,6 +4108,7 @@ packages:
   - nbqa ; extra == 'dev'
   - nbstripout ; extra == 'dev'
   - pre-commit ; extra == 'dev'
+  - pydoclint ; extra == 'dev'
   - pytest ; extra == 'dev'
   - pytest-cov ; extra == 'dev'
   - pytest-forked ; extra == 'dev'
@@ -8564,6 +8600,16 @@ packages:
   requires_dist:
   - typing-extensions>=4.14.1
   requires_python: '>=3.9'
+- pypi: https://files.pythonhosted.org/packages/87/6f/cc2b231dc78d8c3aaa674a676db190b8f8071c50134af8f8cf39b9b8e8df/pydoclint-0.8.3-py3-none-any.whl
+  name: pydoclint
+  version: 0.8.3
+  sha256: 5fc9b82d0d515afce0908cb70e8ff695a68b19042785c248c4f227ad66b4a164
+  requires_dist:
+  - click>=8.1.0
+  - docstring-parser-fork>=0.0.12
+  - tomli>=2.0.1 ; python_full_version < '3.11'
+  - flake8>=4 ; extra == 'flake8'
+  requires_python: '>=3.10'
 - pypi: https://files.pythonhosted.org/packages/c7/21/705964c7812476f378728bdf590ca4b771ec72385c533964653c68e86bdc/pygments-2.19.2-py3-none-any.whl
   name: pygments
   version: 2.19.2
diff --git a/pixi.toml b/pixi.toml
index 7593fd30f..9b6cd33df 100644
--- a/pixi.toml
+++ b/pixi.toml
@@ -90,8 +90,9 @@ test = { depends-on = ['unit-tests'] }
 ###########
 
 pyproject-check = 'python -m validate_pyproject pyproject.toml'
-docs-format-check = 'docformatter --check src/ docs/docs/tutorials/'
-notebook-format-check = 'nbqa ruff docs/docs/tutorials/'
+docstring-lint-check = 'pydoclint --quiet src/'
+docstring-format-check = 'docformatter --check src/'
+notebook-lint-check = 'nbqa ruff docs/docs/tutorials/'
 py-lint-check = 'ruff check src/ tests/ docs/docs/tutorials/'
 py-format-check = "ruff format --check src/ tests/ docs/docs/tutorials/"
 nonpy-format-check = "npx prettier --list-different --config=prettierrc.toml --ignore-unknown ."
@@ -104,19 +105,19 @@ check = 'pre-commit run --hook-stage manual --all-files'
 ##########
 
 docs-format-fix = 'docformatter --in-place src/ docs/docs/tutorials/'
-notebook-format-fix = 'nbqa ruff --fix docs/docs/tutorials/'
+notebook-lint-fix = 'nbqa ruff --fix docs/docs/tutorials/'
 py-lint-fix = 'ruff check --fix src/ tests/ docs/docs/tutorials/'
 py-format-fix = "ruff format src/ tests/ docs/docs/tutorials/"
 nonpy-format-fix = 'npx prettier --write --list-different --config=prettierrc.toml --ignore-unknown .'
 nonpy-format-fix-modified = "python tools/nonpy_prettier_modified.py --write"
-success-message-fix = 'echo "✅ All code auto-formatting steps have been applied."'
+success-message-fix = 'echo "✅ All auto-formatting steps completed successfully!"'
 
 fix = { depends-on = [
   'py-format-fix',
   'docs-format-fix',
   'py-lint-fix',
   'nonpy-format-fix',
-  'notebook-format-fix',
+  'notebook-lint-fix',
   'success-message-fix',
 ] }
 
@@ -229,9 +230,9 @@ github-labels = 'python tools/update_github_labels.py'
 # ⚖️ SPDX License Headers
 #########################
 
-spdx-remove = 'python tools/remove_spdx.py src/ tests/'
-spdx-add = 'python tools/add_spdx.py src/ tests/'
-spdx-check = 'python tools/check_spdx.py src/ tests/'
+license-remove = 'python tools/remove_license_headers.py src/ tests/'
+license-add = 'python tools/add_license_headers.py src/ tests/'
+license-check = 'python tools/check_license_headers.py src/ tests/'
 
 ####################################
 # 🚀 Other Development & Build Tasks
diff --git a/pyproject.toml b/pyproject.toml
index 6f7d9d21b..dba43620a 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -54,8 +54,9 @@ dev = [
   'versioningit',                    # Automatic versioning from git tags
   'jupytext',                        # Jupyter notebook text format support
   'jupyterquiz',                     # Quizzes in Jupyter notebooks
-  'docformatter',                    # Code formatter for docstrings
-  'interrogate',                     # Check for missing docstrings
+  'pydoclint',                       # Docstring linter
+  'docformatter',                    # Docstring formatter
+  'interrogate',                     # Docstring coverage checker
   'copier',                          # Template management
   'mike',                            # MkDocs: Versioned documentation support
   'mkdocs',                          # Static site generator
@@ -80,12 +81,6 @@ Documentation = 'https://easyscience.github.io/dynamics-lib'
 # Build system configuration
 ############################
 
-# Build system 'hatch' -- Python project manager
-# https://hatch.pypa.io/
-
-# Versioning system 'versioningit' -- Versioning from git tags
-# https://versioningit.readthedocs.io/
-
 [build-system]
 build-backend = 'hatchling.build'
 requires = ['hatchling', 'versioningit']
@@ -94,6 +89,9 @@ requires = ['hatchling', 'versioningit']
 # Configuration for hatchling
 #############################
 
+# 'hatch' -- Build system for Python
+# https://hatch.pypa.io/
+
 [tool.hatch.build.targets.wheel]
 packages = ['src/easydynamics']
 
@@ -107,6 +105,9 @@ source = 'versioningit' # Use versioningit to manage the version
 # Configuration for versioningit
 ################################
 
+# 'versioningit' -- Versioning from git tags
+# https://versioningit.readthedocs.io/
+
 # Versioningit generates versions from git tags, so we don't need to
 # either specify them statically in pyproject.toml or save them in the
 # source code. Do not use {distance} in the version format, as it
@@ -130,7 +131,7 @@ default-tag = 'v999.0.0'
 # Configuration for interrogate
 ################################
 
-# 'interrogate' -- Check for missing docstrings
+# 'interrogate' -- Docstring coverage checker
 # https://interrogate.readthedocs.io/en/latest/
 
 [tool.interrogate]
@@ -142,6 +143,9 @@ verbose = 1
 # Configuration for coverage/pytest-cov
 #######################################
 
+# 'coverage' -- Code coverage measurement tool
+# https://coverage.readthedocs.io/en/latest/
+
 [tool.coverage.run]
 branch = true    # Measure branch coverage as well
 source = ['src'] # Limit coverage to the source code directory
@@ -155,6 +159,9 @@ fail_under = 0       # Minimum coverage percentage to pass
 # Configuration for pytest
 ##########################
 
+# 'pytest' -- Testing framework
+# https://docs.pytest.org/en/stable/
+
 [tool.pytest.ini_options]
 addopts = '--import-mode=importlib'
 markers = ['fast: mark test as fast (should be run on every push)']
@@ -173,6 +180,8 @@ indent-width = 4
 line-length = 99
 preview = true    # Enable new rules that are not yet stable, like DOC
 
+# Formatting options for Ruff
+
 [tool.ruff.format]
 docstring-code-format = true    # Whether to format code snippets in docstrings
 docstring-code-line-length = 72 # Line length for code snippets in docstrings
@@ -180,31 +189,102 @@ indent-style = 'space'          # PEP 8 recommends using spaces over tabs
 line-ending = 'lf'              # Line endings will be converted to \n
 quote-style = 'single'          # But double quotes in docstrings (PEP 8, PEP 257)
 
-# https://docs.astral.sh/ruff/rules/
+# Linting rules to use with Ruff
+
 [tool.ruff.lint]
 select = [
-  'E',   # General PEP 8 style errors
-  'E9',  # Runtime errors (e.g., syntax errors, undefined names)
-  'F',   # Pyflakes-specific checks (e.g., unused variables, imports)
-  'F63', # Issues related to invalid escape sequences in strings
-  'F7',  # Type-related errors (e.g., mismatched argument types, unsupported operations)
-  'F82', # Import-related errors (e.g., unresolved imports, reimported modules)
-  'I',   # Import sorting issues (e.g., unsorted imports)
-  'S',   # Security-related issues (e.g., use of insecure functions or libraries)
-  'W',   # General PEP 8 warnings (e.g., lines too long, trailing whitespace)
+  # Various rules
+  #'C90',  # https://docs.astral.sh/ruff/rules/#mccabe-c90
+  'F',   # https://docs.astral.sh/ruff/rules/#pyflakes-f
+  #'FLY',  # https://docs.astral.sh/ruff/rules/#flynt-fly
+  #'FURB', # https://docs.astral.sh/ruff/rules/#refurb-furb
+  'I', # https://docs.astral.sh/ruff/rules/#isort-i
+  #'N',    # https://docs.astral.sh/ruff/rules/#pep8-naming-n
+  #'NPY',  # https://docs.astral.sh/ruff/rules/#numpy-specific-rules-npy
+  #'PGH',  # https://docs.astral.sh/ruff/rules/#pygrep-hooks-pgh
+  #'PERF', # https://docs.astral.sh/ruff/rules/#perflint-perf
+  #'RUF',  # https://docs.astral.sh/ruff/rules/#ruff-specific-rules-ruf
+  #'TRY',  # https://docs.astral.sh/ruff/rules/#tryceratops-try
+  #'UP',   # https://docs.astral.sh/ruff/rules/#pyupgrade-up
+  # pycodestyle (E, W) rules
+  'E', # https://docs.astral.sh/ruff/rules/#error-e
+  'W', # https://docs.astral.sh/ruff/rules/#warning-w
+  # Pylint (PL) rules
+  #'PLC', # https://docs.astral.sh/ruff/rules/#convention-plc
+  #'PLE', # https://docs.astral.sh/ruff/rules/#error-ple
+  #'PLR', # https://docs.astral.sh/ruff/rules/#refactor-plr
+  #'PLW', # https://docs.astral.sh/ruff/rules/#warning-plw
+  # flake8 rules
+  #'A',     # https://docs.astral.sh/ruff/rules/#flake8-builtins-a
+  'ANN',   # https://docs.astral.sh/ruff/rules/#flake8-annotations-ann
+  #'ARG',   # https://docs.astral.sh/ruff/rules/#flake8-unused-arguments-arg
+  #'ASYNC', # https://docs.astral.sh/ruff/rules/#flake8-async-async
+  #'B',     # https://docs.astral.sh/ruff/rules/#flake8-bugbear-b
+  #'BLE',   # https://docs.astral.sh/ruff/rules/#flake8-blind-except-ble
+  #'C4',    # https://docs.astral.sh/ruff/rules/#flake8-comprehensions-c4
+  #'COM',   # https://docs.astral.sh/ruff/rules/#flake8-commas-com
+  #'DTZ',   # https://docs.astral.sh/ruff/rules/#flake8-datetimez-dtz
+  #'EM',    # https://docs.astral.sh/ruff/rules/#flake8-errmsg-em
+  #'FA',    # https://docs.astral.sh/ruff/rules/#flake8-future-annotations-fa
+  #'FBT',   # https://docs.astral.sh/ruff/rules/#flake8-boolean-trap-fbt
+  #'FIX',   # https://docs.astral.sh/ruff/rules/#flake8-fixme-fix
+  #'G',     # https://docs.astral.sh/ruff/rules/#flake8-logging-format-g
+  #'ICN',   # https://docs.astral.sh/ruff/rules/#flake8-import-conventions-icn
+  #'INP',   # https://docs.astral.sh/ruff/rules/#flake8-no-pep420-inp
+  #'ISC',   # https://docs.astral.sh/ruff/rules/#flake8-implicit-str-concat-isc
+  #'LOG',   # https://docs.astral.sh/ruff/rules/#flake8-logging-log
+  #'PIE',   # https://docs.astral.sh/ruff/rules/#flake8-pie-pie
+  #'PT',    # https://docs.astral.sh/ruff/rules/#flake8-pytest-style-pt
+  #'PTH',   # https://docs.astral.sh/ruff/rules/#flake8-use-pathlib-pth
+  #'PYI',   # https://docs.astral.sh/ruff/rules/#flake8-pyi-pyi
+  #'RET',   # https://docs.astral.sh/ruff/rules/#flake8-return-ret
+  #'RSE',   # https://docs.astral.sh/ruff/rules/#flake8-raise-rse
+  'S', # https://docs.astral.sh/ruff/rules/#flake8-bandit-s
+  #'SIM',   # https://docs.astral.sh/ruff/rules/#flake8-simplify-sim
+  #'SLF',   # https://docs.astral.sh/ruff/rules/#flake8-self-slf
+  #'SLOT',  # https://docs.astral.sh/ruff/rules/#flake8-slots-slot
+  #'T20',   # https://docs.astral.sh/ruff/rules/#flake8-print-t20
+  #'TC',    # https://docs.astral.sh/ruff/rules/#flake8-type-checking-tc
+  #'TD',    # https://docs.astral.sh/ruff/rules/#flake8-todos-td
+  #'TID',   # https://docs.astral.sh/ruff/rules/#flake8-tidy-imports-tid
+]
+
+# Exceptions to the linting rules
+
+# Ignore specific rules globally
+ignore = [
+  'COM812', # https://docs.astral.sh/ruff/rules/missing-trailing-comma/
+  # The following covered by [tool.pydoclint] section below
+  'D',   # https://docs.astral.sh/ruff/rules/#pydocstyle-d
+  'DOC', # https://docs.astral.sh/ruff/rules/#pydoclint-doc
 ]
 
+# Ignore specific rules in certain files or directories
 [tool.ruff.lint.per-file-ignores]
-'tests/**/*.py' = ['S101'] # Allow assert statements in tests
+'tests/**' = [
+  'ANN',    # https://docs.astral.sh/ruff/rules/#flake8-annotations-ann
+  'DOC',    # https://docs.astral.sh/ruff/rules/#pydoclint-doc
+  'INP001', # https://docs.astral.sh/ruff/rules/implicit-namespace-package/
+  'S101',   # https://docs.astral.sh/ruff/rules/assert/
+]
+'docs/**' = [
+  'INP001', # https://docs.astral.sh/ruff/rules/implicit-namespace-package/
+  'T201',   # https://docs.astral.sh/ruff/rules/print/
+]
+
+# Specific options for certain rules
 
 [tool.ruff.lint.flake8-tidy-imports]
+# Disallow all relative imports
 ban-relative-imports = 'all'
 
 [tool.ruff.lint.isort]
+# Forces all from imports to appear on their own line
 force-single-line = true
 
 [tool.ruff.lint.mccabe]
-max-complexity = 10 # default is 10
+# Cyclomatic complexity threshold (default is 10)
+max-complexity = 10
 
 [tool.ruff.lint.pycodestyle]
 # PEP 8 line length guidance:
@@ -222,8 +302,25 @@ max-line-length = 99
 # as defined in the [tool.ruff.format] section above.
 max-doc-length = 99
 
-[tool.ruff.lint.pydocstyle]
-convention = 'google'
+#############################
+# Configuration for pydoclint
+#############################
+
+# 'pydoclint' -- Docstring linter, a faster alternative to
+# 'darglint' or 'darglint2'.
+# https://pypi.org/project/pydoclint/
+
+# This is a more advanced docstring linter compared to Ruff's built-in
+# docstring check rules D or DOC. For example, among many other things,
+# it can check that arguments in the docstring, which are used by MkDocs
+# and IDEs to render parameter documentation, remain synchronized with
+# the parameter declarations in the code (in function's signature).
+
+[tool.pydoclint]
+style = "google"
+check-style-mismatch = true
+check-arg-defaults = true
+allow-init-docstring = true
 
 ################################
 # Configuration for docformatter
diff --git a/tools/add_spdx.py b/tools/add_license_headers.py
similarity index 100%
rename from tools/add_spdx.py
rename to tools/add_license_headers.py
diff --git a/tools/check_spdx.py b/tools/check_license_headers.py
similarity index 100%
rename from tools/check_spdx.py
rename to tools/check_license_headers.py
diff --git a/tools/remove_spdx.py b/tools/remove_license_headers.py
similarity index 100%
rename from tools/remove_spdx.py
rename to tools/remove_license_headers.py

From 469cbb6e99443d86480215dc0c0f151c9c713e8f Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Fri, 13 Mar 2026 14:25:34 +0100
Subject: [PATCH 02/31] Fix utils

---
 src/easydynamics/utils/detailed_balance.py | 86 ++++++++++++----------
 src/easydynamics/utils/utils.py            | 20 +++--
 2 files changed, 61 insertions(+), 45 deletions(-)

diff --git a/src/easydynamics/utils/detailed_balance.py b/src/easydynamics/utils/detailed_balance.py
index ab323530d..28802068a 100644
--- a/src/easydynamics/utils/detailed_balance.py
+++ b/src/easydynamics/utils/detailed_balance.py
@@ -25,8 +25,8 @@
 def _detailed_balance_factor(
     energy: int | float | list | np.ndarray | sc.Variable,
     temperature: int | float | sc.Variable | Parameter,
-    energy_unit: str | sc.Unit = 'meV',
-    temperature_unit: str | sc.Unit = 'K',
+    energy_unit: str | sc.Unit = "meV",
+    temperature_unit: str | sc.Unit = "K",
     divide_by_temperature: bool = True,
 ) -> np.ndarray:
     r"""
@@ -41,26 +41,32 @@ def _detailed_balance_factor(
     $k_B*T$ to have value 1 at $E=0$.
 
     Args:
-        energy (number | list | np.ndarray | scipp.Variable): The energy
+        energy (int | float | list | np.ndarray | sc.Variable): The energy
             transfer. If number, assumed to be in meV unless energy_unit
             is set.
-        temperature (number | scipp.Variable | Parameter): The
+        temperature (int | float | sc.Variable | Parameter): The
             temperature. If number, assumed to be in K unless
             temperature_unit is set.
-        energy_unit (str | sc.Unit |None): Unit for energy if energy is
+        energy_unit (str | sc.Unit, default='meV'): Unit for energy if energy is
             given as a number or list. Default is 'meV'
-        temperature_unit (str | sc.Unit |None): Unit for temperature if
+        temperature_unit (str | sc.Unit, default='K'): Unit for temperature if
             temperature is given as a number. Default is 'K'
-        divide_by_temperature (bool | None): If True, divide the result
+        divide_by_temperature (bool, default=True): If True, divide the result
             by $k_B*T$ to make it dimensionless and have value 1 at E=0.
             Default is True.
 
     Returns:
-        DBF (np.ndarray):  Detailed balance factor evaluated at the
+        np.ndarray:  Detailed balance factor evaluated at the
             given energy and temperature.
 
-    Examples
-    --------
+    Raises:
+        TypeError: If energy or temperature is not a number, list, numpy array, or scipp Variable, or if energy_unit or temperature_unit is not a string or scipp Unit, or if divide_by_temperature is not a boolean.
+        ValueError: If temperature is negative, or if energy is a numpy array with more than 1 dimension, or if temperature is a scipp Variable that does not have a single dimension named 'temperature', or if energy is a scipp Variable that does not have a single dimension named 'energy'.
+        UnitError: If the provided energy_unit or temperature_unit is invalid, or if the units of energy or temperature cannot be converted to the expected
+            units.
+        ZeroDivisionError: If divide_by_temperature is True and temperature is zero.
+
+    Examples:
     >>> detailed_balance_factor(1.0, 300)  # 1 meV at 300 K
     >>> detailed_balance_factor(
     ...     energy=[1.0, 2.0],
@@ -73,60 +79,60 @@ def _detailed_balance_factor(
 
     # Input validation
     if not isinstance(divide_by_temperature, bool):
-        raise TypeError('divide_by_temperature must be True or False.')
+        raise TypeError("divide_by_temperature must be True or False.")
 
     if not isinstance(energy_unit, (str, sc.Unit)):
-        raise TypeError('energy_unit must be a string or scipp.Unit.')
+        raise TypeError("energy_unit must be a string or scipp.Unit.")
 
     if not isinstance(temperature_unit, (str, sc.Unit)):
-        raise TypeError('temperature_unit must be a string or scipp.Unit.')
+        raise TypeError("temperature_unit must be a string or scipp.Unit.")
 
     # Convert temperature and energy to sc variables
     # to make units easy to handle
     temperature = _convert_to_scipp_variable(
-        value=temperature, unit=temperature_unit, name='temperature'
+        value=temperature, unit=temperature_unit, name="temperature"
     )
 
     if temperature.value < 0:
-        raise ValueError('Temperature must be non-negative.')
+        raise ValueError("Temperature must be non-negative.")
 
-    energy = _convert_to_scipp_variable(value=energy, unit=energy_unit, name='energy')
+    energy = _convert_to_scipp_variable(value=energy, unit=energy_unit, name="energy")
 
     # What if people give units that don't make sense?
     try:
-        sc.to_unit(energy, unit='meV')
+        sc.to_unit(energy, unit="meV")
     except Exception as e:
         raise UnitError(
-            f'The unit of energy is wrong: {energy.unit}: {e} Check that energy has a valid unit.'
+            f"The unit of energy is wrong: {energy.unit}: {e} Check that energy has a valid unit."
         )
     # We give users the option to specify the unit of the energy,
     # but if the input has a unit, they might clash
     if energy.unit != energy_unit:
         warnings.warn(
-            f'Input energy has unit {energy.unit}, but energy_unit was set to {energy_unit}. '
-            f'Using {energy.unit}.'
+            f"Input energy has unit {energy.unit}, but energy_unit was set to {energy_unit}. "
+            f"Using {energy.unit}."
         )
 
     # Same for temperature
     try:
-        sc.to_unit(temperature, unit='K')
+        sc.to_unit(temperature, unit="K")
     except Exception as e:
         raise UnitError(
-            f'The unit of temperature is wrong: {temperature.unit}: {e} '
-            f'Check that temperature has a valid unit.'
+            f"The unit of temperature is wrong: {temperature.unit}: {e} "
+            f"Check that temperature has a valid unit."
         )
 
     if temperature.unit != temperature_unit:
         warnings.warn(
-            f'Input temperature has unit {temperature.unit}, '
-            f'but temperature_unit was set to {temperature_unit}. Using {temperature.unit}.'
+            f"Input temperature has unit {temperature.unit}, "
+            f"but temperature_unit was set to {temperature_unit}. Using {temperature.unit}."
         )
 
     # Zero temperature deserves special treatment.
     # Here, DBF is 0 for energy<0 and energy for energy>0
     if temperature.value == 0:
         if divide_by_temperature:
-            raise ZeroDivisionError('Cannot divide by T when T = 0.')
+            raise ZeroDivisionError("Cannot divide by T when T = 0.")
         DBF = sc.where(energy < 0.0 * energy.unit, 0.0 * energy.unit, energy)
 
         if DBF.sizes == {}:
@@ -142,7 +148,7 @@ def _detailed_balance_factor(
 
     x = energy / (kB * temperature)
 
-    x = sc.to_unit(x, unit='1')  # Make sure the unit is 1 and not e.g. 1e3
+    x = sc.to_unit(x, unit="1")  # Make sure the unit is 1 and not e.g. 1e3
 
     # Now compute DBF. First handle small and large x, then general.
 
@@ -159,7 +165,9 @@ def _detailed_balance_factor(
 
     # General case: exact formula
     mid = sc.logical_not(small) & sc.logical_not(large)
-    DBF = sc.where(mid, x / (1 - sc.exp(-x)), DBF)  # zeros in x are handled by SMALL_THRESHOLD
+    DBF = sc.where(
+        mid, x / (1 - sc.exp(-x)), DBF
+    )  # zeros in x are handled by SMALL_THRESHOLD
 
     #
     if not divide_by_temperature:
@@ -182,12 +190,12 @@ def _convert_to_scipp_variable(
     units.
 
     Args:
-        value (int | float | list | np.ndarray | Parameter |
-            sc.Variable): The value to convert. Can be a number, list,
-            numpy array, Parameter, or scipp Variable. If a number or
-            list, the unit must be specified in the unit argument.
+        value (int | float | list | np.ndarray | Parameter | sc.Variable):
+            The value to convert. Can be a number, list, numpy array,
+            Parameter, or scipp Variable. If a number or list, the unit
+            must be specified in the unit argument.
         name (str): The name of the variable, used for error messages.
-        unit (str | None): The unit to use if value is a number or list.
+        unit (str | None, default=None): The unit to use if value is a number or list.
             Must be specified if value is a number or list. Ignored if
             value is a Parameter or sc.Variable, which have their own
             units.
@@ -195,8 +203,6 @@ def _convert_to_scipp_variable(
     Raises:
         TypeError: If value is not one of the accepted types, or if unit
             is not a string when needed.
-        ValueError: If value is a number or list and unit is not
-            provided.
         UnitError: If the provided unit is invalid.
 
     Returns:
@@ -217,11 +223,13 @@ def _convert_to_scipp_variable(
         array_value = np.array(value.value)
         unit = value.unit
     else:
-        if name == 'energy':
-            raise TypeError(f'{name} must be a number, list, numpy array or scipp Variable')
+        if name == "energy":
+            raise TypeError(
+                f"{name} must be a number, list, numpy array or scipp Variable"
+            )
         else:
             raise TypeError(
-                f'{name} must be a number, list, numpy array, Parameter or scipp Variable'
+                f"{name} must be a number, list, numpy array, Parameter or scipp Variable"
             )
 
     # Create appropriate scipp variable based on shape
@@ -234,6 +242,6 @@ def _convert_to_scipp_variable(
     else:
         # Multi-element array
         try:
-            return sc.array(dims=['x'], values=array_value, unit=unit)
+            return sc.array(dims=["x"], values=array_value, unit=unit)
         except UnitError as e:
             raise UnitError(f"Invalid unit string '{unit}' for {name}: {e}")
diff --git a/src/easydynamics/utils/utils.py b/src/easydynamics/utils/utils.py
index 03965c6e9..0ef80f1fd 100644
--- a/src/easydynamics/utils/utils.py
+++ b/src/easydynamics/utils/utils.py
@@ -11,20 +11,28 @@
 energy_type = np.ndarray | Numeric | list | ArrayLike | sc.Variable
 
 
-def _validate_and_convert_Q(Q: Q_type | None) -> np.ndarray | None:
+def _validate_and_convert_Q(
+    Q: np.ndarray | Numeric | list | ArrayLike | sc.Variable | None,
+) -> np.ndarray | None:
     """Validate and convert Q to a numpy array.
 
     Args:
-        Q (Number, list, np.ndarray or sc.Variable): Scattering vector
-            values in 1/angstrom.
+        Q (np.ndarray | Numeric | list | ArrayLike | sc.Variable | None):
+            Scattering vector values in 1/angstrom.
 
     Returns:
-        np.ndarray: Q as a np.ndarray.
+        np.ndarray | None: Q as a np.ndarray or None if Q is None.
+
+    Raises:
+        TypeError: If Q is not a number, list, numpy array, or scipp
+            Variable.
+        ValueError: If Q is a numpy array with more than 1 dimension, or
+            if Q is a scipp Variable that does not have a single dimension named 'Q'.
     """
     if Q is None:
         return None
-    if not isinstance(Q, (Numeric, list, np.ndarray, sc.Variable)):
-        raise TypeError('Q must be a number, list, numpy array, or scipp array.')
+    if not isinstance(Q, (np.ndarray | Numeric | list | ArrayLike | sc.Variable)):
+        raise TypeError('Q must be a number, list, numpy array, or scipp Variable.')
 
     if isinstance(Q, Numeric):
         Q = np.array([Q])

From 496cd583b27a0adc4b096650d10a6cebcb961fe7 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Fri, 13 Mar 2026 14:42:45 +0100
Subject: [PATCH 03/31] Fix sample_model

---
 src/easydynamics/sample_model/sample_model.py | 149 ++++++++----------
 1 file changed, 66 insertions(+), 83 deletions(-)

diff --git a/src/easydynamics/sample_model/sample_model.py b/src/easydynamics/sample_model/sample_model.py
index a624ac586..1e3acc5e7 100644
--- a/src/easydynamics/sample_model/sample_model.py
+++ b/src/easydynamics/sample_model/sample_model.py
@@ -5,7 +5,9 @@
 import scipp as sc
 from easyscience.variable import Parameter
 
-from easydynamics.sample_model.diffusion_model.diffusion_model_base import DiffusionModelBase
+from easydynamics.sample_model.diffusion_model.diffusion_model_base import (
+    DiffusionModelBase,
+)
 from easydynamics.sample_model.model_base import ModelBase
 from easydynamics.utils import _detailed_balance_factor
 from easydynamics.utils.utils import Numeric
@@ -22,85 +24,48 @@ class SampleModel(ModelBase):
     components from the base model and diffusion models.
 
     Applies detailed balancing based on temperature if provided.
-
-    Args:
-        display_name (str): Display name of the model.
-        unique_name (str | None): Unique name of the model. If None, a
-            unique name will be generated.
-        unit (str | sc.Unit | None): Unit of the model. If None,
-            defaults to "meV".
-        components (ModelComponent | ComponentCollection | None):
-            Template components of the model. If None, no components are
-            added. These components are copied into ComponentCollections
-            for each Q value.
-        Q (Number, list, np.ndarray, sc.array | None):
-            Q values for the model. If None, Q is not set.
-        diffusion_models (DiffusionModelBase | list[DiffusionModelBase] | None):
-            Diffusion models to include in the SampleModel.
-            If None, no diffusion models are added.
-        temperature (float | None): Temperature for detailed balancing.
-            If None, no detailed balancing is applied.
-        temperature_unit (str | sc.Unit): Unit of the temperature.
-            Defaults to "K".
-        divide_by_temperature (bool): Whether to divide the detailed
-            balance factor by temperature. Defaults to True.
-
-    Attributes:
-        unit (str | sc.Unit): Unit of the model.
-        components (list[ModelComponent]): List of ModelComponents in
-            the model.
-        Q (np.ndarray | Numeric | list | ArrayLike | sc.Variable | None):
-            Q values of the model.
-        diffusion_models (list[DiffusionModelBase]): List of diffusion
-            models in the SampleModel.
-        temperature (Parameter | None): Temperature Parameter for
-            detailed balancing, or None if not set.
-        divide_by_temperature (bool): Whether to divide the detailed
-            balance factor by temperature.
     """
 
     def __init__(
         self,
-        display_name: str = 'MySampleModel',
+        display_name: str = "MySampleModel",
         unique_name: str | None = None,
-        unit: str | sc.Unit = 'meV',
-        components: ComponentCollection | ModelComponent | None = None,
+        unit: str | sc.Unit = "meV",
+        components: ModelComponent | ComponentCollection | None = None,
         Q: Q_type | None = None,
         diffusion_models: DiffusionModelBase | list[DiffusionModelBase] | None = None,
         temperature: float | None = None,
-        temperature_unit: str | sc.Unit = 'K',
+        temperature_unit: str | sc.Unit = "K",
         divide_by_temperature: bool = True,
     ):
         """Initialize the SampleModel.
 
         Args:
-            display_name (str): Display name of the model.
-            unique_name (str | None): Unique name of the model. If None,
+            display_name (str, default="MySampleModel"): Display name of the model.
+            unique_name (str | None, default=None): Unique name of the model. If None,
                 a unique name will be generated.
-            unit (str | sc.Unit | None): Unit of the model. If None,
+            unit (str | sc.Unit, default="meV"): Unit of the model. If None,
                 defaults to "meV".
-            components (ModelComponent | ComponentCollection | None):
+            components (ModelComponent | ComponentCollection | None, default=None):
                 Template components of the model. If None, no components
                 are added. These components are copied into
                 ComponentCollections for each Q value.
-            Q (Number, list, np.ndarray, sc.array | None):
+            Q (Q_type | None, default=None):
                 Q values for the model. If None, Q is not set.
-            diffusion_models (DiffusionModelBase | list[DiffusionModelBase] | None):
+            diffusion_models (DiffusionModelBase | list[DiffusionModelBase] | None, default=None):
                 Diffusion models to include in the SampleModel. If None,
                 no diffusion models are added.
-            temperature (float | None): Temperature for detailed
+            temperature (float | None, default=None): Temperature for detailed
                 balancing. If None, no detailed balancing is applied.
-            temperature_unit (str | sc.Unit): Unit of the temperature.
+            temperature_unit (str | sc.Unit, default="K"): Unit of the temperature.
                 Defaults to "K".
-            divide_by_temperature (bool): Whether to divide the detailed
+            divide_by_temperature (bool, default=True): Whether to divide the detailed
                 balance factor by temperature. Defaults to True.
 
         Raises:
             TypeError: If diffusion_models is not a DiffusionModelBase,
-                a list of DiffusionModelBase, or None.
-            TypeError: If temperature is not a number or None.
+                a list of DiffusionModelBase, or None, or if temperature is not a number or None, or if divide_by_temperature is not a bool.
             ValueError: If temperature is negative.
-            TypeError: If divide_by_temperature is not a bool.
         """
         if diffusion_models is None:
             self._diffusion_models = []
@@ -111,8 +76,8 @@ def __init__(
                 isinstance(dm, DiffusionModelBase) for dm in diffusion_models
             ):
                 raise TypeError(
-                    'diffusion_models must be a DiffusionModelBase, '
-                    'a list of DiffusionModelBase or None'
+                    "diffusion_models must be a DiffusionModelBase, "
+                    "a list of DiffusionModelBase or None"
                 )
             self._diffusion_models = diffusion_models
 
@@ -128,21 +93,21 @@ def __init__(
             self._temperature = None
         else:
             if not isinstance(temperature, Numeric):
-                raise TypeError('temperature must be a number or None')
+                raise TypeError("temperature must be a number or None")
 
             if temperature < 0:
-                raise ValueError('temperature must be non-negative')
+                raise ValueError("temperature must be non-negative")
             self._temperature = Parameter(
-                name='Temperature',
+                name="Temperature",
                 value=temperature,
                 unit=temperature_unit,
-                display_name='Temperature',
+                display_name="Temperature",
                 fixed=True,
             )
         self._temperature_unit = temperature_unit
 
         if not isinstance(divide_by_temperature, bool):
-            raise TypeError('divide_by_temperature must be True or False')
+            raise TypeError("divide_by_temperature must be True or False")
         self._divide_by_temperature = divide_by_temperature
 
     # ------------------------------------------------------------------
@@ -163,13 +128,13 @@ def append_diffusion_model(self, diffusion_model: DiffusionModelBase) -> None:
 
         if not isinstance(diffusion_model, DiffusionModelBase):
             raise TypeError(
-                f'diffusion_model must be a DiffusionModelBase, got {type(diffusion_model).__name__}'  # noqa: E501
+                f"diffusion_model must be a DiffusionModelBase, got {type(diffusion_model).__name__}"  # noqa: E501
             )
 
         self._diffusion_models.append(diffusion_model)
         self._generate_component_collections()
 
-    def remove_diffusion_model(self, name: 'str') -> None:
+    def remove_diffusion_model(self, name: "str") -> None:
         """Remove a DiffusionModel from the SampleModel by unique name.
 
         Args:
@@ -185,8 +150,8 @@ def remove_diffusion_model(self, name: 'str') -> None:
                 self._generate_component_collections()
                 return
         raise ValueError(
-            f'No DiffusionModel with unique name {name} found. \n'
-            f'The available unique names are: {[dm.unique_name for dm in self._diffusion_models]}'
+            f"No DiffusionModel with unique name {name} found. \n"
+            f"The available unique names are: {[dm.unique_name for dm in self._diffusion_models]}"
         )
 
     def clear_diffusion_models(self) -> None:
@@ -215,11 +180,14 @@ def diffusion_models(
         """Set the diffusion models of the SampleModel.
 
         Args:
-            value (DiffusionModelBase | list[DiffusionModelBase] |
-                None):
+            value (DiffusionModelBase | list[DiffusionModelBase] | None):
                 The diffusion model(s) to set. Can be a single
                 DiffusionModelBase, a list of DiffusionModelBase, or
                 None to clear all diffusion models.
+
+        Raises:
+            TypeError: If value is not a DiffusionModelBase, a list of
+                DiffusionModelBase, or None.
         """
 
         if value is None:
@@ -232,8 +200,8 @@ def diffusion_models(
             isinstance(dm, DiffusionModelBase) for dm in value
         ):
             raise TypeError(
-                'diffusion_models must be a DiffusionModelBase, a list of DiffusionModelBase, '
-                'or None'
+                "diffusion_models must be a DiffusionModelBase, a list of DiffusionModelBase, "
+                "or None"
             )
         self._diffusion_models = value
         self._on_diffusion_models_change()
@@ -255,23 +223,27 @@ def temperature(self, value: Numeric | None) -> None:
         Args:
             value (Numeric | None): The temperature value to set. Can be
                 a number or None to unset the temperature.
+
+        Raises:
+            TypeError: If value is not a number or None.
+            ValueError: If value is negative.
         """
         if value is None:
             self._temperature = None
             return
 
         if not isinstance(value, Numeric):
-            raise TypeError('temperature must be a number or None')
+            raise TypeError("temperature must be a number or None")
 
         if value < 0:
-            raise ValueError('temperature must be non-negative')
+            raise ValueError("temperature must be non-negative")
 
         if self._temperature is None:
             self._temperature = Parameter(
-                name='Temperature',
+                name="Temperature",
                 value=value,
                 unit=self._temperature_unit,
-                display_name='Temperature',
+                display_name="Temperature",
                 fixed=True,
             )
         else:
@@ -299,8 +271,8 @@ def temperature_unit(self, value: str | sc.Unit) -> None:
         """
 
         raise AttributeError(
-            f'Temperature_unit is read-only. Use convert_temperature_unit to change the unit between allowed types '  # noqa: E501
-            f'or create a new {self.__class__.__name__} with the desired unit.'
+            f"Temperature_unit is read-only. Use convert_temperature_unit to change the unit between allowed types "  # noqa: E501
+            f"or create a new {self.__class__.__name__} with the desired unit."
         )  # noqa: E501
 
     def convert_temperature_unit(self, unit: str | sc.Unit) -> None:
@@ -312,10 +284,11 @@ def convert_temperature_unit(self, unit: str | sc.Unit) -> None:
 
         Raises:
             ValueError: If temperature is not set or conversion fails.
+            Exception: If the provided unit is invalid or cannot be converted.
         """
 
         if self._temperature is None:
-            raise ValueError('Temperature is not set, cannot convert unit.')
+            raise ValueError("Temperature is not set, cannot convert unit.")
 
         old_unit = self._temperature.unit
 
@@ -349,9 +322,12 @@ def divide_by_temperature(self, value: bool) -> None:
         Args:
             value (bool): True to divide the detailed balance factor by
                 temperature, False otherwise.
+
+        Raises:
+            TypeError: If value is not a bool.
         """
         if not isinstance(value, bool):
-            raise TypeError('divide_by_temperature must be True or False')
+            raise TypeError("divide_by_temperature must be True or False")
         self._divide_by_temperature = value
 
     # ------------------------------------------------------------------
@@ -394,9 +370,12 @@ def get_all_variables(self, Q_index: int | None = None) -> list[Parameter]:
         self._components as these are just templates.
 
         Args:
-            Q_index (int | None): If specified, only get variables from
+            Q_index (int | None, default=None): If specified, only get variables from
                 the ComponentCollection at the given Q index. If None,
                 get variables from all ComponentCollections.
+
+        Returns:
+            list[Parameter]: List of all Parameters and Descriptors, including temperature if set and all variables from diffusion models.
         """
 
         all_vars = super().get_all_variables(Q_index=Q_index)
@@ -425,8 +404,12 @@ def _generate_component_collections(self) -> None:
         # Generate components from diffusion models
         # and add to component collections
         for diffusion_model in self._diffusion_models:
-            diffusion_collections = diffusion_model.create_component_collections(Q=self._Q)
-            for target, source in zip(self._component_collections, diffusion_collections):
+            diffusion_collections = diffusion_model.create_component_collections(
+                Q=self._Q
+            )
+            for target, source in zip(
+                self._component_collections, diffusion_collections
+            ):
                 for component in source.components:
                     target.append_component(component)
 
@@ -446,9 +429,9 @@ def __repr__(self) -> str:
         """
 
         return (
-            f'{self.__class__.__name__}(unique_name={self.unique_name}, unit={self._unit}), '
-            f'Q = {self._Q}, '
-            f'components = {self._components}, diffusion_models = {self._diffusion_models}, '
-            f'temperature = {self._temperature}, '
-            f'divide_by_temperature = {self._divide_by_temperature}'
+            f"{self.__class__.__name__}(unique_name={self.unique_name}, unit={self._unit}), "
+            f"Q = {self._Q}, "
+            f"components = {self._components}, diffusion_models = {self._diffusion_models}, "
+            f"temperature = {self._temperature}, "
+            f"divide_by_temperature = {self._divide_by_temperature}"
         )

From bf77cd48dc460fa9f615718b83e283cc8e16c3af Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Fri, 13 Mar 2026 14:44:36 +0100
Subject: [PATCH 04/31] fix resolution_model

---
 .../sample_model/resolution_model.py          | 44 ++++---------------
 1 file changed, 9 insertions(+), 35 deletions(-)

diff --git a/src/easydynamics/sample_model/resolution_model.py b/src/easydynamics/sample_model/resolution_model.py
index c1913a3b3..3d2f828b7 100644
--- a/src/easydynamics/sample_model/resolution_model.py
+++ b/src/easydynamics/sample_model/resolution_model.py
@@ -15,55 +15,29 @@
 class ResolutionModel(ModelBase):
     """ResolutionModel represents a model of the instrment resolution in
     an experiment at various Q.
-
-    Args:
-        display_name (str): Display name of the model.
-        unique_name (str | None): Unique name of the model. If None, a
-            unique name will be generated.
-        unit (str | sc.Unit | None): Unit of the model. Defaults to
-            "meV".
-        components (ModelComponent | ComponentCollection | None):
-            Template components of the model. If None, no components
-            are added. These components are copied into
-            ComponentCollections for each Q value.
-        Q (Q_type | None): Q values for the model. If None, Q is not
-            set.
-
-    Attributes:
-        unit (str | sc.Unit): Unit of the model.
-        components (list[ModelComponent]): List of ModelComponents in
-            the model.
-        Q (np.ndarray | Numeric | list | ArrayLike | sc.Variable | None):
-            Q values of the model.
     """
 
     def __init__(
         self,
-        display_name: str = 'MyResolutionModel',
+        display_name: str = "MyResolutionModel",
         unique_name: str | None = None,
-        unit: str | sc.Unit = 'meV',
-        components: ComponentCollection | ModelComponent | None = None,
+        unit: str | sc.Unit = "meV",
+        components: ModelComponent | ComponentCollection | None = None,
         Q: Q_type | None = None,
     ):
         """Initialize a ResolutionModel.
 
         Args:
-            display_name (str): Display name of the model.
-            unique_name (str | None): Unique name of the model. If None,
+            display_name (str, default="MyResolutionModel"): Display name of the model.
+            unique_name (str | None, default=None): Unique name of the model. If None,
                 a unique name will be generated.
-            unit (str | sc.Unit | None): Unit of the model. Defaults to
-                "meV".
-            components (ModelComponent | ComponentCollection | None):
+            unit (str | sc.Unit, default="meV"): Unit of the model.
+            components (ModelComponent | ComponentCollection | None, default=None):
                 Template components of the model. If None, no components
                 are added. These components are copied into
                 ComponentCollections for each Q value.
-            Q (Q_type | None): Q values for the model. If None, Q is not
+            Q (Q_type | None, default=None): Q values for the model. If None, Q is not
                 set.
-
-        Raises:
-            TypeError: If components is not a ModelComponent or
-                ComponentCollection.
-            ValueError: If Q is not a valid Q_type.
         """
 
         super().__init__(
@@ -95,7 +69,7 @@ def append_component(self, component: ModelComponent | ComponentCollection) -> N
         for comp in components:
             if isinstance(comp, (DeltaFunction, Polynomial)):
                 raise TypeError(
-                    f'Component in ResolutionModel cannot be a {comp.__class__.__name__}'
+                    f"Component in ResolutionModel cannot be a {comp.__class__.__name__}"
                 )
 
         super().append_component(component)

From b8917c78d098155c2500e3a2c56abbe247a8985e Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Fri, 13 Mar 2026 14:51:50 +0100
Subject: [PATCH 05/31] fix model_base

---
 src/easydynamics/sample_model/model_base.py | 101 ++++++++++----------
 1 file changed, 49 insertions(+), 52 deletions(-)

diff --git a/src/easydynamics/sample_model/model_base.py b/src/easydynamics/sample_model/model_base.py
index c78cef357..dfa52cbfc 100644
--- a/src/easydynamics/sample_model/model_base.py
+++ b/src/easydynamics/sample_model/model_base.py
@@ -22,48 +22,32 @@ class ModelBase(EasyScienceModelBase):
     Contains common functionality for models with components and
     Q dependence.
 
-    Args:
-        display_name (str): Display name of the model.
-        unique_name (str | None): Unique name of the model. If None, a
-            unique name will be generated.
-        unit (str | sc.Unit | None): Unit of the model. Defaults to
-            "meV".
-        components (ModelComponent | ComponentCollection | None):
-            Template components of the model. If None, no components
-            are added. These components are copied into
-            ComponentCollections for each Q value.
-        Q (ArrayLike | sc.Variable | None): Q values for the model. If
-            None, Q is not set.
-
-    Attributes:
-        unit (str | sc.Unit): Unit of the model.
-        components (list[ModelComponent]): List of ModelComponents in
-            the model.
-        Q (ArrayLike | sc.Variable | None): Q values of the model.
     """
 
     def __init__(
         self,
-        display_name: str = 'MyModelBase',
+        display_name: str = "MyModelBase",
         unique_name: str | None = None,
-        unit: str | sc.Unit | None = 'meV',
+        unit: str | sc.Unit | None = "meV",
         components: ModelComponent | ComponentCollection | None = None,
         Q: Q_type | None = None,
     ):
         """Initialize the ModelBase.
 
         Args:
-            display_name (str): Display name of the model.
-            unique_name (str | None): Unique name of the model. If None,
+            display_name (str, default="MyModelBase"): Display name of the model.
+            unique_name (str | None, default=None): Unique name of the model. If None,
                 a unique name will be generated.
-            unit (str | sc.Unit | None): Unit of the model. Defaults to
-                "meV".
-            components (ModelComponent | ComponentCollection | None):
+            unit (str | sc.Unit | None, default="meV"): Unit of the model.
+            components (ModelComponent | ComponentCollection | None, default=None):
                 Template components of the model. If None, no components
                 are added. These components are copied into
                 ComponentCollections for each Q value.
-            Q (ArrayLike | sc.Variable | None): Q values for the model.
+            Q (Q_type | None, default=None): Q values for the model.
                 If None, Q is not set.
+
+        Raises:
+            TypeError: If components is not a ModelComponent or ComponentCollection.
         """
         super().__init__(
             display_name=display_name,
@@ -76,8 +60,8 @@ def __init__(
             components, (ModelComponent, ComponentCollection)
         ):
             raise TypeError(
-                f'Components must be a ModelComponent, a ComponentCollection or None, '
-                f'got {type(components).__name__}'
+                f"Components must be a ModelComponent, a ComponentCollection or None, "
+                f"got {type(components).__name__}"
             )
 
         self._components = ComponentCollection()
@@ -92,11 +76,11 @@ def evaluate(
         """Evaluate the sample model at all Q for the given x values.
 
         Args:
-        x (Numeric | list | np.ndarray | sc.Variable | sc.DataArray):
-            Energy axis values to evaluate the model at. If a scipp
-            Variable or DataArray is provided, the unit of the model
-            will be converted to match the unit of x for evaluation, and
-            the result will be returned in the same unit as x.
+            x (Numeric | list | np.ndarray | sc.Variable | sc.DataArray):
+                Energy axis values to evaluate the model at. If a scipp
+                Variable or DataArray is provided, the unit of the model
+                will be converted to match the unit of x for evaluation, and
+                the result will be returned in the same unit as x.
 
         Returns:
             list[np.ndarray]: A list of numpy arrays containing the
@@ -110,8 +94,8 @@ def evaluate(
 
         if not self._component_collections:
             raise ValueError(
-                'No components in the model to evaluate. '
-                'Run generate_component_collections() first'
+                "No components in the model to evaluate. "
+                "Run generate_component_collections() first"
             )
         y = [collection.evaluate(x) for collection in self._component_collections]
 
@@ -152,11 +136,11 @@ def clear_components(self) -> None:
     # ------------------------------------------------------------------
 
     @property
-    def unit(self) -> str | sc.Unit:
+    def unit(self) -> str | sc.Unit | None:
         """Get the unit of the ComponentCollection.
 
         Returns:
-            str | sc.Unit |None: The unit of the ComponentCollection.
+            str | sc.Unit | None: The unit of the ComponentCollection.
         """
 
         return self._unit
@@ -174,8 +158,8 @@ def unit(self, unit_str: str) -> None:
         """
         raise AttributeError(
             (
-                f'Unit is read-only. Use convert_unit to change the unit between allowed types '
-                f'or create a new {self.__class__.__name__} with the desired unit.'
+                f"Unit is read-only. Use convert_unit to change the unit between allowed types "
+                f"or create a new {self.__class__.__name__} with the desired unit."
             )
         )  # noqa: E501
 
@@ -188,12 +172,16 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
 
         Raises:
             TypeError: If the provided unit is not a string or sc.Unit.
-            UnitError: If the provided unit is not compatible with the
+            Exception: If the provided unit is not compatible with the
                 current unit.
         """
 
         old_unit = self._unit
 
+        if not isinstance(unit, (str, sc.Unit)):
+            raise TypeError(
+                f"Unit must be a string or sc.Unit, got {type(unit).__name__}"
+            )
         try:
             for component in self.components:
                 component.convert_unit(unit)
@@ -223,14 +211,16 @@ def components(self, value: ModelComponent | ComponentCollection | None) -> None
 
         Args:
             value (ModelComponent | ComponentCollection | None): The new
-            components to set. If None, all components will be cleared.
+                components to set. If None, all components will be cleared.
 
         Raises:
             TypeError: If value is not a ModelComponent,
                 ComponentCollection, or None.
         """
         if not isinstance(value, (ModelComponent, ComponentCollection, type(None))):
-            raise TypeError('Components must be a ModelComponent or a ComponentCollection')
+            raise TypeError(
+                "Components must be a ModelComponent or a ComponentCollection"
+            )
 
         self.clear_components()
         if value is not None:
@@ -252,7 +242,7 @@ def Q(self, value: Q_type | None) -> None:
 
         Args:
             value (Q_type | None): The new Q values to set. If None, Q
-            will be unset.
+                will be unset.
         """
         old_Q = self._Q
         new_Q = _validate_and_convert_Q(value)
@@ -287,13 +277,18 @@ def get_all_variables(self, Q_index: int | None = None) -> list[Parameter]:
         templates.
 
         Args:
-            Q_index  (int | None): If None, get variables for all
+            Q_index  (int | None, default=None): If None, get variables for all
                 ComponentCollections. If int, get variables for the
                 ComponentCollection at this index. Defaults to None.
 
         Returns:
             list[Parameter]: A list of all Parameters and Descriptors
                 from the ComponentCollections in the ModelBase.
+
+        Raises:
+            TypeError: If Q_index is not an int or None.
+            IndexError: If Q_index is out of bounds for the number of
+                ComponentCollections.
         """
 
         if Q_index is None:
@@ -304,11 +299,13 @@ def get_all_variables(self, Q_index: int | None = None) -> list[Parameter]:
             ]
         else:
             if not isinstance(Q_index, int):
-                raise TypeError(f'Q_index must be an int or None, got {type(Q_index).__name__}')
+                raise TypeError(
+                    f"Q_index must be an int or None, got {type(Q_index).__name__}"
+                )
             if Q_index < 0 or Q_index >= len(self._component_collections):
                 raise IndexError(
-                    f'Q_index {Q_index} is out of bounds for component collections '
-                    f'of length {len(self._component_collections)}'
+                    f"Q_index {Q_index} is out of bounds for component collections "
+                    f"of length {len(self._component_collections)}"
                 )
             all_vars = self._component_collections[Q_index].get_all_variables()
         return all_vars
@@ -329,11 +326,11 @@ def get_component_collection(self, Q_index: int) -> ComponentCollection:
                 ComponentCollections.
         """
         if not isinstance(Q_index, int):
-            raise TypeError(f'Q_index must be an int, got {type(Q_index).__name__}')
+            raise TypeError(f"Q_index must be an int, got {type(Q_index).__name__}")
         if Q_index < 0 or Q_index >= len(self._component_collections):
             raise IndexError(
-                f'Q_index {Q_index} is out of bounds for component collections '
-                f'of length {len(self._component_collections)}'
+                f"Q_index {Q_index} is out of bounds for component collections "
+                f"of length {len(self._component_collections)}"
             )
         return self._component_collections[Q_index]
 
@@ -371,6 +368,6 @@ def __repr__(self) -> str:
             str: A string representation of the ModelBase.
         """
         return (
-            f'{self.__class__.__name__}(unique_name={self.unique_name}, '
-            f'unit={self.unit}), Q = {self.Q}, components = {self.components}'
+            f"{self.__class__.__name__}(unique_name={self.unique_name}, "
+            f"unit={self.unit}), Q = {self.Q}, components = {self.components}"
         )

From 2d59670207769ffd58b254c2ea249553c0b3c715 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Fri, 13 Mar 2026 14:57:46 +0100
Subject: [PATCH 06/31] Fix instrument_model

---
 .../sample_model/instrument_model.py          | 139 +++++++-----------
 1 file changed, 52 insertions(+), 87 deletions(-)

diff --git a/src/easydynamics/sample_model/instrument_model.py b/src/easydynamics/sample_model/instrument_model.py
index 89ae38884..f8cdf812e 100644
--- a/src/easydynamics/sample_model/instrument_model.py
+++ b/src/easydynamics/sample_model/instrument_model.py
@@ -21,79 +21,42 @@ class InstrumentModel(NewBase):
     experiment at various Q. It can contain a model of the resolution
     function for convolutions, of the background and an offset in the
     energy axis.
-
-    Args:
-        display_name (str | None): The display name of the
-            InstrumentModel. Default is "MyInstrumentModel".
-        unique_name (str | None): The unique name of the
-            InstrumentModel. Default is None.
-        Q (np.ndarray | list | sc.Variable | None): The Q values where
-            the instrument is modelled.
-        resolution_model (ResolutionModel | None): The resolution model
-            of the instrument. If None, an empty resolution model is
-            created and no resolution convolution is carried out.
-            Default is None.
-        background_model (BackgroundModel | None): The background model
-            of the instrument. If None, an empty background model is
-            created, and the background evaluates to 0. Default is None.
-        energy_offset (float | int | None): Template energy offset of
-            the instrument. Will be copied to each Q value. If None, the
-            energy offset will be 0. Default is None.
-        unit (str | sc.Unit): The unit of the energy axis. Default is
-            'meV'.
-
-    Attributes:
-        resolution_model (ResolutionModel): The resolution model of the
-            instrument.
-        background_model (BackgroundModel): The background model of the
-            instrument.
-        Q (np.ndarray | None): The Q values where the instrument is
-            modelled.
-        energy_offset (Parameter): The template energy offset Parameter
-            of the instrument. Will be copied to each Q value.
-        unit (str | sc.Unit): The unit of the energy axis.
     """
 
     def __init__(
         self,
-        display_name: str = 'MyInstrumentModel',
+        display_name: str = "MyInstrumentModel",
         unique_name: str | None = None,
         Q: Q_type | None = None,
         resolution_model: ResolutionModel | None = None,
         background_model: BackgroundModel | None = None,
         energy_offset: Numeric | None = None,
-        unit: str | sc.Unit = 'meV',
+        unit: str | sc.Unit = "meV",
     ):
         """Initialize an InstrumentModel.
 
         Args:
-            display_name (str | None): The display name of the
+            display_name (str, default="MyInstrumentModel"): The display name of the
                 InstrumentModel. Default is "MyInstrumentModel".
-            unique_name (str | None): The unique name of the
-                InstrumentModel. Default is None.
-            Q (np.ndarray | list | sc.Variable | None): The Q values
-                where the instrument is modelled.
-            resolution_model (ResolutionModel | None): The resolution
+            unique_name (str | None, default=None): The unique name of the
+                InstrumentModel.
+            Q (Q_type | None, default=None): The Q values where the instrument is modelled.
+            resolution_model (ResolutionModel | None, default=None): The resolution
                 model of the instrument. If None, an empty resolution
                 model is created and no resolution convolution is
-                carried out. Default is None.
-            background_model (BackgroundModel | None): The background
+                carried out.
+            background_model (BackgroundModel | None, default=None): The background
                 model of the instrument. If None, an empty background
                 model is created, and the background evaluates to 0.
-                Default is None.
-            energy_offset (float | int | None): Template energy offset
+            energy_offset (Numeric | None, default=None): Template energy offset
                 of the instrument. Will be copied to each Q value. If
-                None, the energy offset will be 0. Default is None.
-            unit (str | sc.Unit): The unit of the energy axis. Default
-                is 'meV'.
+                None, the energy offset will be 0.
+            unit (str | sc.Unit, default="meV"): The unit of the energy axis.
 
         Raises:
             TypeError: If resolution_model is not a ResolutionModel or
-                None
-            TypeError: If background_model is not a BackgroundModel or
-                None
-            TypeError: If energy_offset is not a number or None
-            UnitError: If unit is not a valid unit string or scipp Unit.
+                None, or if background_model is not a BackgroundModel or None, or
+                if energy_offset is not a number or None.
         """
         super().__init__(
             display_name=display_name,
@@ -107,8 +70,8 @@ def __init__(
         else:
             if not isinstance(resolution_model, ResolutionModel):
                 raise TypeError(
-                    f'resolution_model must be a ResolutionModel or None, '
-                    f'got {type(resolution_model).__name__}'
+                    f"resolution_model must be a ResolutionModel or None, "
+                    f"got {type(resolution_model).__name__}"
                 )
             self._resolution_model = resolution_model
 
@@ -117,8 +80,8 @@ def __init__(
         else:
             if not isinstance(background_model, BackgroundModel):
                 raise TypeError(
-                    f'background_model must be a BackgroundModel or None, '
-                    f'got {type(background_model).__name__}'
+                    f"background_model must be a BackgroundModel or None, "
+                    f"got {type(background_model).__name__}"
                 )
             self._background_model = background_model
 
@@ -126,10 +89,10 @@ def __init__(
             energy_offset = 0.0
 
         if not isinstance(energy_offset, Numeric):
-            raise TypeError('energy_offset must be a number or None')
+            raise TypeError("energy_offset must be a number or None")
 
         self._energy_offset = Parameter(
-            name='energy_offset',
+            name="energy_offset",
             value=float(energy_offset),
             unit=self.unit,
             fixed=False,
@@ -151,7 +114,7 @@ def resolution_model(self) -> ResolutionModel:
         return self._resolution_model
 
     @resolution_model.setter
-    def resolution_model(self, value: ResolutionModel):
+    def resolution_model(self, value: ResolutionModel) -> None:
         """Set the resolution model of the instrument.
 
         Args:
@@ -163,7 +126,7 @@ def resolution_model(self, value: ResolutionModel):
         """
         if not isinstance(value, ResolutionModel):
             raise TypeError(
-                f'resolution_model must be a ResolutionModel, got {type(value).__name__}'
+                f"resolution_model must be a ResolutionModel, got {type(value).__name__}"
             )
         self._resolution_model = value
         self._on_resolution_model_change()
@@ -179,7 +142,7 @@ def background_model(self) -> BackgroundModel:
         return self._background_model
 
     @background_model.setter
-    def background_model(self, value: BackgroundModel):
+    def background_model(self, value: BackgroundModel) -> None:
         """Set the background model of the instrument.
 
         Args:
@@ -192,7 +155,7 @@ def background_model(self, value: BackgroundModel):
 
         if not isinstance(value, BackgroundModel):
             raise TypeError(
-                f'background_model must be a BackgroundModel, got {type(value).__name__}'
+                f"background_model must be a BackgroundModel, got {type(value).__name__}"
             )
         self._background_model = value
         self._on_background_model_change()
@@ -202,7 +165,7 @@ def Q(self) -> np.ndarray | None:
         """Get the Q values of the InstrumentModel.
 
         Returns:
-            np.ndarray or None: The Q values of the InstrumentModel, or
+            np.ndarray | None: The Q values of the InstrumentModel, or
                 None if not set
         """
         return self._Q
@@ -213,20 +176,17 @@ def Q(self, value: Q_type | None) -> None:
 
         Args:
             value (Q_type | None): The new Q values for the
-            InstrumentModel.
-
-        Raises:
-            TypeError: If value is not a valid Q_type or None.
+                InstrumentModel.
         """
         self._Q = _validate_and_convert_Q(value)
         self._on_Q_change()
 
     @property
-    def unit(self) -> sc.Unit:
+    def unit(self) -> str | sc.Unit:
         """Get the unit of the InstrumentModel.
 
         Returns:
-            (str | sc.Unit): The unit of the InstrumentModel.
+            str | sc.Unit: The unit of the InstrumentModel.
         """
         return self._unit
 
@@ -246,8 +206,8 @@ def unit(self, unit_str: str) -> None:
         """
         raise AttributeError(
             (
-                f'Unit is read-only. Use convert_unit to change the unit between allowed types '
-                f'or create a new {self.__class__.__name__} with the desired unit.'
+                f"Unit is read-only. Use convert_unit to change the unit between allowed types "
+                f"or create a new {self.__class__.__name__} with the desired unit."
             )
         )  # noqa: E501
 
@@ -263,18 +223,20 @@ def energy_offset(self) -> Parameter:
         return self._energy_offset
 
     @energy_offset.setter
-    def energy_offset(self, value: Numeric):
+    def energy_offset(self, value: Numeric) -> None:
         """Set the offset parameter of the instrument model.
 
         Args:
-            value (float | int): The new value for the energy offset
+            value (Numeric): The new value for the energy offset
                 parameter. Will be copied to all Q values.
 
         Raises:
             TypeError: If value is not a number.
         """
         if not isinstance(value, Numeric):
-            raise TypeError(f'energy_offset must be a number, got {type(value).__name__}')
+            raise TypeError(
+                f"energy_offset must be a number, got {type(value).__name__}"
+            )
         self._energy_offset.value = value
 
         self._on_energy_offset_change()
@@ -290,13 +252,12 @@ def convert_unit(self, unit_str: str | sc.Unit) -> None:
             unit_str (str | sc.Unit): The unit to convert to.
 
         Raises:
-            TypeError: If unit_str is not a string or scipp Unit.
             ValueError: If unit_str is not a valid unit string or
                 scipp Unit.
         """
         unit = _validate_unit(unit_str)
         if unit is None:
-            raise ValueError('unit_str must be a valid unit string or scipp Unit')
+            raise ValueError("unit_str must be a valid unit string or scipp Unit")
 
         self._background_model.convert_unit(unit)
         self._resolution_model.convert_unit(unit)
@@ -310,7 +271,7 @@ def get_all_variables(self, Q_index: int | None = None) -> list[Parameter]:
         """Get all variables in the InstrumentModel.
 
         Args:
-            Q_index (int | None): The index of the Q value to get
+            Q_index (int | None, default=None): The index of the Q value to get
                 variables for. If None, get variables for all Q values.
 
         Returns:
@@ -332,10 +293,12 @@ def get_all_variables(self, Q_index: int | None = None) -> list[Parameter]:
             variables = [self._energy_offsets[i] for i in range(len(self._Q))]
         else:
             if not isinstance(Q_index, int):
-                raise TypeError(f'Q_index must be an int or None, got {type(Q_index).__name__}')
+                raise TypeError(
+                    f"Q_index must be an int or None, got {type(Q_index).__name__}"
+                )
             if Q_index < 0 or Q_index >= len(self._Q):
                 raise IndexError(
-                    f'Q_index {Q_index} is out of bounds for Q of length {len(self._Q)}'
+                    f"Q_index {Q_index} is out of bounds for Q of length {len(self._Q)}"
                 )
             variables = [self._energy_offsets[Q_index]]
 
@@ -368,10 +331,12 @@ def get_energy_offset_at_Q(self, Q_index: int) -> Parameter:
             IndexError: If Q_index is out of bounds.
         """
         if self._Q is None:
-            raise ValueError('No Q values are set in the InstrumentModel.')
+            raise ValueError("No Q values are set in the InstrumentModel.")
 
         if Q_index < 0 or Q_index >= len(self._Q):
-            raise IndexError(f'Q_index {Q_index} is out of bounds for Q of length {len(self._Q)}')
+            raise IndexError(
+                f"Q_index {Q_index} is out of bounds for Q of length {len(self._Q)}"
+            )
 
         return self._energy_offsets[Q_index]
 
@@ -418,11 +383,11 @@ def __repr__(self) -> str:
         """
 
         return (
-            f'{self.__class__.__name__}('
-            f'unique_name={self.unique_name!r}, '
-            f'unit={self.unit}, '
-            f'Q_len={None if self._Q is None else len(self._Q)}, '
-            f'resolution_model={self._resolution_model!r}, '
-            f'background_model={self._background_model!r}'
-            f')'
+            f"{self.__class__.__name__}("
+            f"unique_name={self.unique_name!r}, "
+            f"unit={self.unit}, "
+            f"Q_len={None if self._Q is None else len(self._Q)}, "
+            f"resolution_model={self._resolution_model!r}, "
+            f"background_model={self._background_model!r}"
+            f")"
         )

From 64236c79979dfdc6d129559458477c5d5f55360b Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Fri, 13 Mar 2026 15:00:34 +0100
Subject: [PATCH 07/31] fix jump_diffusion

---
 .../jump_translational_diffusion.py           | 115 ++++++++----------
 1 file changed, 50 insertions(+), 65 deletions(-)

diff --git a/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py b/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py
index 3ee24a998..ecdb2b9cd 100644
--- a/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py
+++ b/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py
@@ -12,7 +12,9 @@
 
 from easydynamics.sample_model.component_collection import ComponentCollection
 from easydynamics.sample_model.components import Lorentzian
-from easydynamics.sample_model.diffusion_model.diffusion_model_base import DiffusionModelBase
+from easydynamics.sample_model.diffusion_model.diffusion_model_base import (
+    DiffusionModelBase,
+)
 from easydynamics.utils.utils import Numeric
 from easydynamics.utils.utils import Q_type
 from easydynamics.utils.utils import _validate_and_convert_Q
@@ -30,27 +32,7 @@ class JumpTranslationalDiffusion(DiffusionModelBase):
     time. Q is assumed to have units of 1/angstrom. Creates
     ComponentCollections with Lorentzian components for given Q-values.
 
-    Args:
-        display_name (str): Display name of the diffusion model.
-        unique_name (str | None): Unique name of the diffusion model. If
-            None, a unique name will be generated.
-        unit (str | sc.Unit): Unit of the diffusion model. Must be
-            convertible to meV. Defaults to "meV".
-        scale (Numeric): Scale factor for the diffusion model. Must be
-            a non-negative number. Defaults to 1.0.
-        diffusion_coefficient (Numeric): Diffusion coefficient D in
-            m^2/s. Defaults to 1.0.
-        relaxation_time (Numeric): Relaxation time t in ps. Defaults to
-            1.0.
-
-    Attributes:
-        unit (str | sc.Unit): Unit of the diffusion model.
-        scale (Parameter): Scale parameter of the diffusion model.
-        diffusion_coefficient (Parameter): Diffusion coefficient D in
-            m^2/s.
-        relaxation_time (Parameter): Relaxation time t in ps.
-
-    Example usage:
+    Example:
     >>> Q = np.linspace(0.5, 2, 7)
     >>> energy = np.linspace(-2, 2, 501)
     >>> scale = 1.0
@@ -61,14 +43,14 @@ class JumpTranslationalDiffusion(DiffusionModelBase):
     >>> relaxation_time=relaxation_time)
     >>> component_collections=
     >>> diffusion_model.create_component_collections(Q)
-    See also the examples.
+    See also the tutorials..
     """
 
     def __init__(
         self,
-        display_name: str | None = 'JumpTranslationalDiffusion',
+        display_name: str | None = "JumpTranslationalDiffusion",
         unique_name: str | None = None,
-        unit: str | sc.Unit = 'meV',
+        unit: str | sc.Unit = "meV",
         scale: Numeric = 1.0,
         diffusion_coefficient: Numeric = 1.0,
         relaxation_time: Numeric = 1.0,
@@ -76,23 +58,20 @@ def __init__(
         """Initialize a new JumpTranslationalDiffusion model.
 
         Args:
-            display_name (str): Display name of the diffusion model.
-            unique_name (str | None): Unique name of the diffusion
+            display_name (str | None, default="JumpTranslationalDiffusion"): Display name of the diffusion model.
+            unique_name (str | None, default=None): Unique name of the diffusion
                 model. If None, a unique name will be generated.
-            unit (str | sc.Unit): Unit of the diffusion model. Must be
-                convertible to meV. Defaults to "meV".
-            scale (Numeric): Scale factor for the diffusion model. Must
-                be a non-negative number. Defaults to 1.0.
-            diffusion_coefficient (Numeric): Diffusion coefficient D in
-                m^2/s. Defaults to 1.0.
-            relaxation_time (Numeric): Relaxation time t in ps. Defaults
-                to 1.0.
+            unit (str | sc.Unit, default="meV"): Unit of the diffusion model. Must be
+                convertible to meV.
+            scale (Numeric, default=1.0): Scale factor for the diffusion model. Must
+                be a non-negative number.
+            diffusion_coefficient (Numeric, default=1.0): Diffusion coefficient D in
+                m^2/s.
+            relaxation_time (Numeric, default=1.0): Relaxation time t in ps.
 
         Raises:
             TypeError: If scale, diffusion_coefficient, or
                 relaxation_time  are not numbers.
-            ValueError: If scale is negative.
-            UnitError: If unit is not a valid unit string or scipp Unit.
         """
         super().__init__(
             display_name=display_name,
@@ -102,27 +81,27 @@ def __init__(
         )
 
         if not isinstance(diffusion_coefficient, Numeric):
-            raise TypeError('diffusion_coefficient must be a number.')
+            raise TypeError("diffusion_coefficient must be a number.")
 
         if not isinstance(relaxation_time, Numeric):
-            raise TypeError('relaxation_time must be a number.')
+            raise TypeError("relaxation_time must be a number.")
 
         diffusion_coefficient = Parameter(
-            name='diffusion_coefficient',
+            name="diffusion_coefficient",
             value=float(diffusion_coefficient),
             fixed=False,
-            unit='m**2/s',
+            unit="m**2/s",
         )
 
         relaxation_time = Parameter(
-            name='relaxation_time',
+            name="relaxation_time",
             value=float(relaxation_time),
             fixed=False,
-            unit='ps',
+            unit="ps",
         )
 
-        self._hbar = DescriptorNumber.from_scipp('hbar', scipp_hbar)
-        self._angstrom = DescriptorNumber('angstrom', 1e-10, unit='m')
+        self._hbar = DescriptorNumber.from_scipp("hbar", scipp_hbar)
+        self._angstrom = DescriptorNumber("angstrom", 1e-10, unit="m")
         self._diffusion_coefficient = diffusion_coefficient
         self._relaxation_time = relaxation_time
 
@@ -152,9 +131,9 @@ def diffusion_coefficient(self, diffusion_coefficient: Numeric) -> None:
             ValueError: If diffusion_coefficient is negative.
         """
         if not isinstance(diffusion_coefficient, Numeric):
-            raise TypeError('diffusion_coefficient must be a number.')
+            raise TypeError("diffusion_coefficient must be a number.")
         if float(diffusion_coefficient) < 0:
-            raise ValueError('diffusion_coefficient must be non-negative.')
+            raise ValueError("diffusion_coefficient must be non-negative.")
         self._diffusion_coefficient.value = float(diffusion_coefficient)
 
     @property
@@ -178,10 +157,10 @@ def relaxation_time(self, relaxation_time: Numeric) -> None:
             ValueError: If relaxation_time is negative.
         """
         if not isinstance(relaxation_time, Numeric):
-            raise TypeError('relaxation_time must be a number.')
+            raise TypeError("relaxation_time must be a number.")
 
         if float(relaxation_time) < 0:
-            raise ValueError('relaxation_time must be non-negative.')
+            raise ValueError("relaxation_time must be non-negative.")
         self._relaxation_time.value = float(relaxation_time)
 
     ################################
@@ -214,7 +193,7 @@ def calculate_width(self, Q: Q_type) -> np.ndarray:
         unit_conversion_factor_denominator = (
             self.diffusion_coefficient / self._angstrom**2 * self.relaxation_time
         )
-        unit_conversion_factor_denominator.convert_unit('dimensionless')
+        unit_conversion_factor_denominator.convert_unit("dimensionless")
 
         denominator = 1 + unit_conversion_factor_denominator.value * Q**2
 
@@ -252,7 +231,7 @@ def calculate_QISF(self, Q: Q_type) -> np.ndarray:
     def create_component_collections(
         self,
         Q: Q_type,
-        component_display_name: str = 'Jump translational diffusion',
+        component_display_name: str = "Jump translational diffusion",
     ) -> List[ComponentCollection]:
         """Create ComponentCollection components for the diffusion model
         at given Q values.
@@ -260,7 +239,7 @@ def create_component_collections(
         Args:
             Q (Q_type): Scattering vector in 1/angstrom. Can be a single
                 value or an array of values.
-            component_display_name (str): Name of the Jump Diffusion
+            component_display_name (str, default="Jump translational diffusion"): Name of the Jump Diffusion
                 Lorentzian component.
 
         Returns:
@@ -273,7 +252,7 @@ def create_component_collections(
         Q = _validate_and_convert_Q(Q)
 
         if not isinstance(component_display_name, str):
-            raise TypeError('component_name must be a string.')
+            raise TypeError("component_name must be a string.")
 
         component_collection_list = [None] * len(Q)
         # In more complex models, this is used to scale the area of the
@@ -285,7 +264,7 @@ def create_component_collections(
         # is 0.
         for i, Q_value in enumerate(Q):
             component_collection_list[i] = ComponentCollection(
-                display_name=f'{self.display_name}_Q{Q_value:.2f}', unit=self.unit
+                display_name=f"{self.display_name}_Q{Q_value:.2f}", unit=self.unit
             )
 
             lorentzian_component = Lorentzian(
@@ -327,12 +306,15 @@ def _write_width_dependency_expression(self, Q: float) -> str:
 
         Returns:
             str: Dependency expression for the width.
+
+        Raises:
+            TypeError: If Q is not a float.
         """
         if not isinstance(Q, (float)):
-            raise TypeError('Q must be a float.')
+            raise TypeError("Q must be a float.")
 
         # Q is given as a float, so we need to add the units
-        return f'hbar * D* {Q} **2/(angstrom**2)/(1 + (D * t* {Q} **2/(angstrom**2)))'
+        return f"hbar * D* {Q} **2/(angstrom**2)/(1 + (D * t* {Q} **2/(angstrom**2)))"
 
     def _write_width_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
         """Write the dependency map expression to make dependent
@@ -342,10 +324,10 @@ def _write_width_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
             Dict[str, DescriptorNumber]: Dependency map for the width.
         """
         return {
-            'D': self._diffusion_coefficient,
-            't': self._relaxation_time,
-            'hbar': self._hbar,
-            'angstrom': self._angstrom,
+            "D": self._diffusion_coefficient,
+            "t": self._relaxation_time,
+            "hbar": self._hbar,
+            "angstrom": self._angstrom,
         }
 
     def _write_area_dependency_expression(self, QISF: float) -> str:
@@ -357,12 +339,15 @@ def _write_area_dependency_expression(self, QISF: float) -> str:
 
         Returns:
             str: Dependency expression for the area.
+
+        Raises:
+            TypeError: If QISF is not a float.
         """
 
         if not isinstance(QISF, (float)):
-            raise TypeError('QISF must be a float.')
+            raise TypeError("QISF must be a float.")
 
-        return f'{QISF} * scale'
+        return f"{QISF} * scale"
 
     def _write_area_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
         """Write the dependency map expression to make dependent
@@ -372,7 +357,7 @@ def _write_area_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
             Dict[str, DescriptorNumber]: Dependency map for the area.
         """
         return {
-            'scale': self._scale,
+            "scale": self._scale,
         }
 
     ################################
@@ -388,6 +373,6 @@ def __repr__(self) -> str:
                 model.
         """
         return (
-            f'JumpTranslationalDiffusion(display_name={self.display_name}, '
-            f'diffusion_coefficient={self._diffusion_coefficient}, scale={self._scale})'
+            f"JumpTranslationalDiffusion(display_name={self.display_name}, "
+            f"diffusion_coefficient={self._diffusion_coefficient}, scale={self._scale})"
         )

From d7caad17fea8f6b96a53b61580dc317d8168a73f Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Fri, 13 Mar 2026 15:02:04 +0100
Subject: [PATCH 08/31] diffusion model base

---
 .../diffusion_model/diffusion_model_base.py   | 56 +++++++------------
 1 file changed, 21 insertions(+), 35 deletions(-)

diff --git a/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py b/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
index 837f5271e..fb4a5705d 100644
--- a/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
+++ b/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
@@ -11,39 +11,25 @@
 
 
 class DiffusionModelBase(ModelBase):
-    """Base class for constructing diffusion models.
-
-    Args:
-        display_name (str): Display name of the diffusion model.
-        unique_name (str | None): Unique name of the diffusion model.
-            If None, a unique name will be generated.
-        scale (Numeric): Scale factor for the diffusion model. Must be a
-            non-negative number. Defaults to 1.0.
-        unit (str | sc.Unit): Unit of the diffusion model. Must be
-            convertible to meV. Defaults to "meV".
-
-    Attributes:
-        unit (str | sc.Unit): Unit of the diffusion model.
-        scale (Parameter): Scale parameter of the diffusion model.
-    """
+    """Base class for constructing diffusion models."""
 
     def __init__(
         self,
-        display_name='MyDiffusionModel',
+        display_name: str = "MyDiffusionModel",
         unique_name: str | None = None,
         scale: Numeric = 1.0,
-        unit: str | sc.Unit = 'meV',
+        unit: str | sc.Unit = "meV",
     ):
         """Initialize a new DiffusionModel.
 
         Args:
-            display_name (str): Display name of the diffusion model.
-            unique_name (str | None): Unique name of the diffusion
+            display_name (str, default='MyDiffusionModel'): Display name of the diffusion model.
+            unique_name (str | None, default=None): Unique name of the diffusion
                 model. If None, a unique name will be generated.
-            scale (Numeric): Scale factor for the diffusion model. Must
-                be a non-negative number. Defaults to 1.0.
-            unit (str | sc.Unit): Unit of the diffusion model. Must be
-                convertible to meV. Defaults to "meV".
+            scale (Numeric, default=1.0): Scale factor for the diffusion model. Must
+                be a non-negative number.
+            unit (str | sc.Unit, default='meV'): Unit of the diffusion model. Must be
+                convertible to meV.
 
         Raises:
             TypeError: If scale is not a number.
@@ -51,16 +37,16 @@ def __init__(
                 cannot be converted to meV.
         """
         if not isinstance(scale, Numeric):
-            raise TypeError('scale must be a number.')
+            raise TypeError("scale must be a number.")
 
-        scale = Parameter(name='scale', value=float(scale), fixed=False, min=0.0)
+        scale = Parameter(name="scale", value=float(scale), fixed=False, min=0.0)
 
         try:
-            test = DescriptorNumber(name='test', value=1, unit=unit)
-            test.convert_unit('meV')
+            test = DescriptorNumber(name="test", value=1, unit=unit)
+            test.convert_unit("meV")
         except Exception as e:
             raise UnitError(
-                f'Invalid unit: {unit}. Unit must be a string or scipp Unit and convertible to meV.'  # noqa: E501
+                f"Invalid unit: {unit}. Unit must be a string or scipp Unit and convertible to meV."  # noqa: E501
             ) from e
 
         super().__init__(display_name=display_name, unique_name=unique_name)
@@ -72,11 +58,11 @@ def __init__(
     # ------------------------------------------------------------------
 
     @property
-    def unit(self) -> str:
+    def unit(self) -> str | sc.Unit | None:
         """Get the unit of the energy axis of the DiffusionModel.
 
         Returns:
-            (str | sc.Unit | None): Unit of the DiffusionModel.
+            str | sc.Unit | None: Unit of the DiffusionModel.
         """
         return str(self._unit)
 
@@ -94,8 +80,8 @@ def unit(self, unit_str: str) -> None:
         """
         raise AttributeError(
             (
-                f'Unit is read-only. Use convert_unit to change the unit between allowed types '
-                f'or create a new {self.__class__.__name__} with the desired unit.'
+                f"Unit is read-only. Use convert_unit to change the unit between allowed types "
+                f"or create a new {self.__class__.__name__} with the desired unit."
             )
         )  # noqa: E501
 
@@ -121,10 +107,10 @@ def scale(self, scale: Numeric) -> None:
             ValueError: If scale is negative.
         """
         if not isinstance(scale, Numeric):
-            raise TypeError('scale must be a number.')
+            raise TypeError("scale must be a number.")
 
         if float(scale) < 0:
-            raise ValueError('scale must be non-negative.')
+            raise ValueError("scale must be non-negative.")
         self._scale.value = scale
 
     # ------------------------------------------------------------------
@@ -137,4 +123,4 @@ def __repr__(self) -> str:
         Returns:
             str: String representation of the DiffusionModel.
         """
-        return f'{self.__class__.__name__}(display_name={self.display_name}, unit={self.unit})'
+        return f"{self.__class__.__name__}(display_name={self.display_name}, unit={self.unit})"

From 05348112b01592e04a0dbb68b92c0bfec1fe3c74 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Fri, 13 Mar 2026 18:29:45 +0100
Subject: [PATCH 09/31] brownian

---
 .../brownian_translational_diffusion.py       | 95 ++++++++-----------
 .../diffusion_model/diffusion_model_base.py   |  4 +-
 2 files changed, 42 insertions(+), 57 deletions(-)

diff --git a/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py b/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
index 87f37f598..0a26bc0d8 100644
--- a/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
+++ b/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
@@ -12,7 +12,9 @@
 
 from easydynamics.sample_model.component_collection import ComponentCollection
 from easydynamics.sample_model.components import Lorentzian
-from easydynamics.sample_model.diffusion_model.diffusion_model_base import DiffusionModelBase
+from easydynamics.sample_model.diffusion_model.diffusion_model_base import (
+    DiffusionModelBase,
+)
 from easydynamics.utils.utils import Numeric
 from easydynamics.utils.utils import Q_type
 from easydynamics.utils.utils import _validate_and_convert_Q
@@ -28,24 +30,7 @@ class BrownianTranslationalDiffusion(DiffusionModelBase):
     1/angstrom. Creates ComponentCollections with Lorentzian components
     for given Q-values.
 
-    Args:
-        display_name (str): Display name of the diffusion model.
-        unique_name (str | None): Unique name of the diffusion model. If
-            None, a unique name will be generated.
-        unit (str | sc.Unit): Unit of the diffusion model. Must be
-            convertible to meV. Defaults to "meV".
-        scale (Numeric): Scale factor for the diffusion model. Must be
-            a non-negative number. Defaults to 1.0.
-        diffusion_coefficient (Numeric): Diffusion coefficient D in
-            m^2/s. Defaults to 1.0.
-
-    Attributes:
-        unit (str | sc.Unit): Unit of the diffusion model.
-        scale (Parameter): Scale parameter of the diffusion model.
-        diffusion_coefficient (Parameter): Diffusion coefficient D in
-            m^2/s.
-
-    Example usage:
+    Example:
     >>>Q=np.linspace(0.5,2,7)
     >>>energy=np.linspace(-2, 2, 501)
     >>>scale=1.0
@@ -53,47 +38,45 @@ class BrownianTranslationalDiffusion(DiffusionModelBase):
     >>>diffusion_model=BrownianTranslationalDiffusion(display_name="DiffusionModel",
     >>>scale=scale, diffusion_coefficient= diffusion_coefficient)
     >>>component_collections=diffusion_model.create_component_collections(Q)
-    See also the examples.
+    See also the tutorials.
     """
 
     def __init__(
         self,
-        display_name: str | None = 'BrownianTranslationalDiffusion',
+        display_name: str | None = "BrownianTranslationalDiffusion",
         unique_name: str | None = None,
-        unit: str | sc.Unit = 'meV',
+        unit: str | sc.Unit = "meV",
         scale: Numeric = 1.0,
         diffusion_coefficient: Numeric = 1.0,
     ):
         """Initialize a new BrownianTranslationalDiffusion model.
 
         Args:
-            display_name (str): Display name of the diffusion model.
-            unique_name (str | None): Unique name of the diffusion
+            display_name (str | None, default='BrownianTranslationalDiffusion'): Display name of the diffusion model.
+            unique_name (str | None, default=None): Unique name of the diffusion
                 model. If None, a unique name will be generated.
-            unit (str | sc.Unit): Unit of the diffusion model. Must be
-                convertible to meV. Defaults to "meV".
-            scale (Numeric): Scale factor for the diffusion model. Must
-                be a non-negative number. Defaults to 1.0.
-            diffusion_coefficient (Numeric): Diffusion coefficient D in
-                m^2/s. Defaults to 1.0.
+            unit (str | sc.Unit, default='meV'): Unit of the diffusion model. Must be
+                convertible to meV.
+            scale (Numeric, default=1.0): Scale factor for the diffusion model. Must
+                be a non-negative number.
+            diffusion_coefficient (Numeric, default=1.0): Diffusion coefficient D in
+                m^2/s.
 
         Raises:
             TypeError: If scale or diffusion_coefficient is not a
                 number.
-            ValueError: If scale is negative.
-            UnitError: If unit is not a string or scipp Unit.
         """
         if not isinstance(scale, Numeric):
-            raise TypeError('scale must be a number.')
+            raise TypeError("scale must be a number.")
 
         if not isinstance(diffusion_coefficient, Numeric):
-            raise TypeError('diffusion_coefficient must be a number.')
+            raise TypeError("diffusion_coefficient must be a number.")
 
         diffusion_coefficient = Parameter(
-            name='diffusion_coefficient',
+            name="diffusion_coefficient",
             value=float(diffusion_coefficient),
             fixed=False,
-            unit='m**2/s',
+            unit="m**2/s",
             min=0.0,
         )
         super().__init__(
@@ -102,8 +85,8 @@ def __init__(
             unit=unit,
             scale=scale,
         )
-        self._hbar = DescriptorNumber.from_scipp('hbar', scipp_hbar)
-        self._angstrom = DescriptorNumber('angstrom', 1e-10, unit='m')
+        self._hbar = DescriptorNumber.from_scipp("hbar", scipp_hbar)
+        self._angstrom = DescriptorNumber("angstrom", 1e-10, unit="m")
         self._diffusion_coefficient = diffusion_coefficient
 
     # ------------------------------------------------------------------
@@ -132,10 +115,10 @@ def diffusion_coefficient(self, diffusion_coefficient: Numeric) -> None:
             ValueError: If diffusion_coefficient is negative.
         """
         if not isinstance(diffusion_coefficient, Numeric):
-            raise TypeError('diffusion_coefficient must be a number.')
+            raise TypeError("diffusion_coefficient must be a number.")
 
         if float(diffusion_coefficient) < 0:
-            raise ValueError('diffusion_coefficient must be non-negative.')
+            raise ValueError("diffusion_coefficient must be non-negative.")
         self._diffusion_coefficient.value = float(diffusion_coefficient)
 
     # ------------------------------------------------------------------
@@ -157,7 +140,9 @@ def calculate_width(self, Q: Q_type) -> np.ndarray:
 
         Q = _validate_and_convert_Q(Q)
 
-        unit_conversion_factor = self._hbar * self.diffusion_coefficient / (self._angstrom**2)
+        unit_conversion_factor = (
+            self._hbar * self.diffusion_coefficient / (self._angstrom**2)
+        )
         unit_conversion_factor.convert_unit(self.unit)
         width = Q**2 * unit_conversion_factor.value
 
@@ -197,7 +182,7 @@ def calculate_QISF(self, Q: Q_type) -> np.ndarray:
     def create_component_collections(
         self,
         Q: Q_type,
-        component_display_name: str = 'Brownian translational diffusion',
+        component_display_name: str = "Brownian translational diffusion",
     ) -> List[ComponentCollection]:
         r"""Create ComponentCollection components for the Brownian
         translational diffusion model at given Q values.
@@ -220,7 +205,7 @@ def create_component_collections(
         Q = _validate_and_convert_Q(Q)
 
         if not isinstance(component_display_name, str):
-            raise TypeError('component_name must be a string.')
+            raise TypeError("component_name must be a string.")
 
         component_collection_list = [None] * len(Q)
         # In more complex models, this is used to scale the area of the
@@ -232,7 +217,7 @@ def create_component_collections(
         # No delta function, as the EISF is 0.
         for i, Q_value in enumerate(Q):
             component_collection_list[i] = ComponentCollection(
-                display_name=f'{self.display_name}_Q{Q_value:.2f}', unit=self.unit
+                display_name=f"{self.display_name}_Q{Q_value:.2f}", unit=self.unit
             )
 
             lorentzian_component = Lorentzian(
@@ -270,7 +255,7 @@ def _write_width_dependency_expression(self, Q: float) -> str:
         of Q to make dependent Parameters.
 
         Args:
-         Q (float): Scattering vector in 1/angstrom
+            Q (float): Scattering vector in 1/angstrom
 
          Returns:
              str: Dependency expression for the width.
@@ -279,10 +264,10 @@ def _write_width_dependency_expression(self, Q: float) -> str:
              TypeError: If Q is not a float.
         """
         if not isinstance(Q, (float)):
-            raise TypeError('Q must be a float.')
+            raise TypeError("Q must be a float.")
 
         # Q is given as a float, so we need to add the units
-        return f'hbar * D* {Q} **2*1/(angstrom**2)'
+        return f"hbar * D* {Q} **2*1/(angstrom**2)"
 
     def _write_width_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
         """Write the dependency map expression to make dependent
@@ -292,9 +277,9 @@ def _write_width_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
             Dict[str, DescriptorNumber]: Dependency map for the width.
         """
         return {
-            'D': self.diffusion_coefficient,
-            'hbar': self._hbar,
-            'angstrom': self._angstrom,
+            "D": self.diffusion_coefficient,
+            "hbar": self._hbar,
+            "angstrom": self._angstrom,
         }
 
     def _write_area_dependency_expression(self, QISF: float) -> str:
@@ -311,9 +296,9 @@ def _write_area_dependency_expression(self, QISF: float) -> str:
             TypeError: If QISF is not a float.
         """
         if not isinstance(QISF, (float)):
-            raise TypeError('QISF must be a float.')
+            raise TypeError("QISF must be a float.")
 
-        return f'{QISF} * scale'
+        return f"{QISF} * scale"
 
     def _write_area_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
         """Write the dependency map expression to make dependent
@@ -323,7 +308,7 @@ def _write_area_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
             Dict[str, DescriptorNumber]: Dependency map for the area.
         """
         return {
-            'scale': self.scale,
+            "scale": self.scale,
         }
 
     # ------------------------------------------------------------------
@@ -339,6 +324,6 @@ def __repr__(self) -> str:
                 BrownianTranslationalDiffusion model.
         """
         return (
-            f'BrownianTranslationalDiffusion(display_name={self.display_name},'
-            f'diffusion_coefficient={self.diffusion_coefficient}, scale={self.scale})'
+            f"BrownianTranslationalDiffusion(display_name={self.display_name},"
+            f"diffusion_coefficient={self.diffusion_coefficient}, scale={self.scale})"
         )
diff --git a/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py b/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
index fb4a5705d..760d591bb 100644
--- a/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
+++ b/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
@@ -15,7 +15,7 @@ class DiffusionModelBase(ModelBase):
 
     def __init__(
         self,
-        display_name: str = "MyDiffusionModel",
+        display_name: str | None = "MyDiffusionModel",
         unique_name: str | None = None,
         scale: Numeric = 1.0,
         unit: str | sc.Unit = "meV",
@@ -23,7 +23,7 @@ def __init__(
         """Initialize a new DiffusionModel.
 
         Args:
-            display_name (str, default='MyDiffusionModel'): Display name of the diffusion model.
+            display_name (str | None, default='MyDiffusionModel'): Display name of the diffusion model.
             unique_name (str | None, default=None): Unique name of the diffusion
                 model. If None, a unique name will be generated.
             scale (Numeric, default=1.0): Scale factor for the diffusion model. Must

From baa745020aed6c5529f2d3f9793c600dc6912836 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Fri, 13 Mar 2026 18:51:49 +0100
Subject: [PATCH 10/31] Fix pixi-scipp related issue

---
 pixi.lock      | 73 +++++++++++++++++++++++++-------------------------
 pixi.toml      | 12 +++++++++
 pyproject.toml |  1 -
 3 files changed, 48 insertions(+), 38 deletions(-)

diff --git a/pixi.lock b/pixi.lock
index 44a745743..f977d25a5 100644
--- a/pixi.lock
+++ b/pixi.lock
@@ -425,7 +425,7 @@ environments:
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+      - pypi: https://files.pythonhosted.org/packages/35/f5/906eda513271c8deb5af284e5ef0206d17a96239af79f9fa0aebfe0e36b4/scipy-1.17.1-cp312-cp312-macosx_14_0_x86_64.whl
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diff --git a/pixi.toml b/pixi.toml
index 9b6cd33df..e35cbaf16 100644
--- a/pixi.toml
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 # Channels for fetching packages
 channels = ['conda-forge']
 
+#####################
+# System requirements
+#####################
+
+[system-requirements]
+
+# Set minimum supported version for macOS to be 14.0 to ensure packages
+# like `skipp` that only have wheels for macOS 14.0+ (macosx_14_0_arm64)
+# are used instead of building from source. This is a workaround for
+# Pixi, see https://github.com/prefix-dev/pixi/issues/5667
+macos = '14.0'
+
 ##########
 # FEATURES
 ##########
diff --git a/pyproject.toml b/pyproject.toml
index dba43620a..24fd334de 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -32,7 +32,6 @@ dependencies = [
   'ipywidgets',   # Widgets (needed for interactive matplotlib backends)
   'ipympl',       # Matplotlib Jupyter widget backend (%matplotlib widget)
   'IPython',      # Interactive Python shell
-  'scipp<26.1.0', # TEMPORARY: ARM macOS fails with higher versions
 ]
 
 [project.optional-dependencies]

From e0318c5ea1a3421fc7ca0664d08b0737791e98a2 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Fri, 13 Mar 2026 18:53:57 +0100
Subject: [PATCH 11/31] Apply auto formatting

---
 .../brownian_translational_diffusion.py       | 54 +++++++-------
 .../diffusion_model/diffusion_model_base.py   | 24 +++----
 .../jump_translational_diffusion.py           | 62 ++++++++--------
 .../sample_model/instrument_model.py          | 63 ++++++++---------
 src/easydynamics/sample_model/model_base.py   | 47 ++++++-------
 .../sample_model/resolution_model.py          |  6 +-
 src/easydynamics/sample_model/sample_model.py | 70 +++++++++----------
 src/easydynamics/utils/detailed_balance.py    | 52 +++++++-------
 8 files changed, 175 insertions(+), 203 deletions(-)

diff --git a/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py b/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
index 0a26bc0d8..25dcb1102 100644
--- a/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
+++ b/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
@@ -12,9 +12,7 @@
 
 from easydynamics.sample_model.component_collection import ComponentCollection
 from easydynamics.sample_model.components import Lorentzian
-from easydynamics.sample_model.diffusion_model.diffusion_model_base import (
-    DiffusionModelBase,
-)
+from easydynamics.sample_model.diffusion_model.diffusion_model_base import DiffusionModelBase
 from easydynamics.utils.utils import Numeric
 from easydynamics.utils.utils import Q_type
 from easydynamics.utils.utils import _validate_and_convert_Q
@@ -43,9 +41,9 @@ class BrownianTranslationalDiffusion(DiffusionModelBase):
 
     def __init__(
         self,
-        display_name: str | None = "BrownianTranslationalDiffusion",
+        display_name: str | None = 'BrownianTranslationalDiffusion',
         unique_name: str | None = None,
-        unit: str | sc.Unit = "meV",
+        unit: str | sc.Unit = 'meV',
         scale: Numeric = 1.0,
         diffusion_coefficient: Numeric = 1.0,
     ):
@@ -67,16 +65,16 @@ def __init__(
                 number.
         """
         if not isinstance(scale, Numeric):
-            raise TypeError("scale must be a number.")
+            raise TypeError('scale must be a number.')
 
         if not isinstance(diffusion_coefficient, Numeric):
-            raise TypeError("diffusion_coefficient must be a number.")
+            raise TypeError('diffusion_coefficient must be a number.')
 
         diffusion_coefficient = Parameter(
-            name="diffusion_coefficient",
+            name='diffusion_coefficient',
             value=float(diffusion_coefficient),
             fixed=False,
-            unit="m**2/s",
+            unit='m**2/s',
             min=0.0,
         )
         super().__init__(
@@ -85,8 +83,8 @@ def __init__(
             unit=unit,
             scale=scale,
         )
-        self._hbar = DescriptorNumber.from_scipp("hbar", scipp_hbar)
-        self._angstrom = DescriptorNumber("angstrom", 1e-10, unit="m")
+        self._hbar = DescriptorNumber.from_scipp('hbar', scipp_hbar)
+        self._angstrom = DescriptorNumber('angstrom', 1e-10, unit='m')
         self._diffusion_coefficient = diffusion_coefficient
 
     # ------------------------------------------------------------------
@@ -115,10 +113,10 @@ def diffusion_coefficient(self, diffusion_coefficient: Numeric) -> None:
             ValueError: If diffusion_coefficient is negative.
         """
         if not isinstance(diffusion_coefficient, Numeric):
-            raise TypeError("diffusion_coefficient must be a number.")
+            raise TypeError('diffusion_coefficient must be a number.')
 
         if float(diffusion_coefficient) < 0:
-            raise ValueError("diffusion_coefficient must be non-negative.")
+            raise ValueError('diffusion_coefficient must be non-negative.')
         self._diffusion_coefficient.value = float(diffusion_coefficient)
 
     # ------------------------------------------------------------------
@@ -140,9 +138,7 @@ def calculate_width(self, Q: Q_type) -> np.ndarray:
 
         Q = _validate_and_convert_Q(Q)
 
-        unit_conversion_factor = (
-            self._hbar * self.diffusion_coefficient / (self._angstrom**2)
-        )
+        unit_conversion_factor = self._hbar * self.diffusion_coefficient / (self._angstrom**2)
         unit_conversion_factor.convert_unit(self.unit)
         width = Q**2 * unit_conversion_factor.value
 
@@ -182,7 +178,7 @@ def calculate_QISF(self, Q: Q_type) -> np.ndarray:
     def create_component_collections(
         self,
         Q: Q_type,
-        component_display_name: str = "Brownian translational diffusion",
+        component_display_name: str = 'Brownian translational diffusion',
     ) -> List[ComponentCollection]:
         r"""Create ComponentCollection components for the Brownian
         translational diffusion model at given Q values.
@@ -205,7 +201,7 @@ def create_component_collections(
         Q = _validate_and_convert_Q(Q)
 
         if not isinstance(component_display_name, str):
-            raise TypeError("component_name must be a string.")
+            raise TypeError('component_name must be a string.')
 
         component_collection_list = [None] * len(Q)
         # In more complex models, this is used to scale the area of the
@@ -217,7 +213,7 @@ def create_component_collections(
         # No delta function, as the EISF is 0.
         for i, Q_value in enumerate(Q):
             component_collection_list[i] = ComponentCollection(
-                display_name=f"{self.display_name}_Q{Q_value:.2f}", unit=self.unit
+                display_name=f'{self.display_name}_Q{Q_value:.2f}', unit=self.unit
             )
 
             lorentzian_component = Lorentzian(
@@ -264,10 +260,10 @@ def _write_width_dependency_expression(self, Q: float) -> str:
              TypeError: If Q is not a float.
         """
         if not isinstance(Q, (float)):
-            raise TypeError("Q must be a float.")
+            raise TypeError('Q must be a float.')
 
         # Q is given as a float, so we need to add the units
-        return f"hbar * D* {Q} **2*1/(angstrom**2)"
+        return f'hbar * D* {Q} **2*1/(angstrom**2)'
 
     def _write_width_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
         """Write the dependency map expression to make dependent
@@ -277,9 +273,9 @@ def _write_width_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
             Dict[str, DescriptorNumber]: Dependency map for the width.
         """
         return {
-            "D": self.diffusion_coefficient,
-            "hbar": self._hbar,
-            "angstrom": self._angstrom,
+            'D': self.diffusion_coefficient,
+            'hbar': self._hbar,
+            'angstrom': self._angstrom,
         }
 
     def _write_area_dependency_expression(self, QISF: float) -> str:
@@ -296,9 +292,9 @@ def _write_area_dependency_expression(self, QISF: float) -> str:
             TypeError: If QISF is not a float.
         """
         if not isinstance(QISF, (float)):
-            raise TypeError("QISF must be a float.")
+            raise TypeError('QISF must be a float.')
 
-        return f"{QISF} * scale"
+        return f'{QISF} * scale'
 
     def _write_area_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
         """Write the dependency map expression to make dependent
@@ -308,7 +304,7 @@ def _write_area_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
             Dict[str, DescriptorNumber]: Dependency map for the area.
         """
         return {
-            "scale": self.scale,
+            'scale': self.scale,
         }
 
     # ------------------------------------------------------------------
@@ -324,6 +320,6 @@ def __repr__(self) -> str:
                 BrownianTranslationalDiffusion model.
         """
         return (
-            f"BrownianTranslationalDiffusion(display_name={self.display_name},"
-            f"diffusion_coefficient={self.diffusion_coefficient}, scale={self.scale})"
+            f'BrownianTranslationalDiffusion(display_name={self.display_name},'
+            f'diffusion_coefficient={self.diffusion_coefficient}, scale={self.scale})'
         )
diff --git a/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py b/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
index 760d591bb..d8ba1a3a9 100644
--- a/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
+++ b/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
@@ -15,10 +15,10 @@ class DiffusionModelBase(ModelBase):
 
     def __init__(
         self,
-        display_name: str | None = "MyDiffusionModel",
+        display_name: str | None = 'MyDiffusionModel',
         unique_name: str | None = None,
         scale: Numeric = 1.0,
-        unit: str | sc.Unit = "meV",
+        unit: str | sc.Unit = 'meV',
     ):
         """Initialize a new DiffusionModel.
 
@@ -37,16 +37,16 @@ def __init__(
                 cannot be converted to meV.
         """
         if not isinstance(scale, Numeric):
-            raise TypeError("scale must be a number.")
+            raise TypeError('scale must be a number.')
 
-        scale = Parameter(name="scale", value=float(scale), fixed=False, min=0.0)
+        scale = Parameter(name='scale', value=float(scale), fixed=False, min=0.0)
 
         try:
-            test = DescriptorNumber(name="test", value=1, unit=unit)
-            test.convert_unit("meV")
+            test = DescriptorNumber(name='test', value=1, unit=unit)
+            test.convert_unit('meV')
         except Exception as e:
             raise UnitError(
-                f"Invalid unit: {unit}. Unit must be a string or scipp Unit and convertible to meV."  # noqa: E501
+                f'Invalid unit: {unit}. Unit must be a string or scipp Unit and convertible to meV.'  # noqa: E501
             ) from e
 
         super().__init__(display_name=display_name, unique_name=unique_name)
@@ -80,8 +80,8 @@ def unit(self, unit_str: str) -> None:
         """
         raise AttributeError(
             (
-                f"Unit is read-only. Use convert_unit to change the unit between allowed types "
-                f"or create a new {self.__class__.__name__} with the desired unit."
+                f'Unit is read-only. Use convert_unit to change the unit between allowed types '
+                f'or create a new {self.__class__.__name__} with the desired unit.'
             )
         )  # noqa: E501
 
@@ -107,10 +107,10 @@ def scale(self, scale: Numeric) -> None:
             ValueError: If scale is negative.
         """
         if not isinstance(scale, Numeric):
-            raise TypeError("scale must be a number.")
+            raise TypeError('scale must be a number.')
 
         if float(scale) < 0:
-            raise ValueError("scale must be non-negative.")
+            raise ValueError('scale must be non-negative.')
         self._scale.value = scale
 
     # ------------------------------------------------------------------
@@ -123,4 +123,4 @@ def __repr__(self) -> str:
         Returns:
             str: String representation of the DiffusionModel.
         """
-        return f"{self.__class__.__name__}(display_name={self.display_name}, unit={self.unit})"
+        return f'{self.__class__.__name__}(display_name={self.display_name}, unit={self.unit})'
diff --git a/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py b/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py
index ecdb2b9cd..46d3572c4 100644
--- a/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py
+++ b/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py
@@ -12,9 +12,7 @@
 
 from easydynamics.sample_model.component_collection import ComponentCollection
 from easydynamics.sample_model.components import Lorentzian
-from easydynamics.sample_model.diffusion_model.diffusion_model_base import (
-    DiffusionModelBase,
-)
+from easydynamics.sample_model.diffusion_model.diffusion_model_base import DiffusionModelBase
 from easydynamics.utils.utils import Numeric
 from easydynamics.utils.utils import Q_type
 from easydynamics.utils.utils import _validate_and_convert_Q
@@ -48,9 +46,9 @@ class JumpTranslationalDiffusion(DiffusionModelBase):
 
     def __init__(
         self,
-        display_name: str | None = "JumpTranslationalDiffusion",
+        display_name: str | None = 'JumpTranslationalDiffusion',
         unique_name: str | None = None,
-        unit: str | sc.Unit = "meV",
+        unit: str | sc.Unit = 'meV',
         scale: Numeric = 1.0,
         diffusion_coefficient: Numeric = 1.0,
         relaxation_time: Numeric = 1.0,
@@ -81,27 +79,27 @@ def __init__(
         )
 
         if not isinstance(diffusion_coefficient, Numeric):
-            raise TypeError("diffusion_coefficient must be a number.")
+            raise TypeError('diffusion_coefficient must be a number.')
 
         if not isinstance(relaxation_time, Numeric):
-            raise TypeError("relaxation_time must be a number.")
+            raise TypeError('relaxation_time must be a number.')
 
         diffusion_coefficient = Parameter(
-            name="diffusion_coefficient",
+            name='diffusion_coefficient',
             value=float(diffusion_coefficient),
             fixed=False,
-            unit="m**2/s",
+            unit='m**2/s',
         )
 
         relaxation_time = Parameter(
-            name="relaxation_time",
+            name='relaxation_time',
             value=float(relaxation_time),
             fixed=False,
-            unit="ps",
+            unit='ps',
         )
 
-        self._hbar = DescriptorNumber.from_scipp("hbar", scipp_hbar)
-        self._angstrom = DescriptorNumber("angstrom", 1e-10, unit="m")
+        self._hbar = DescriptorNumber.from_scipp('hbar', scipp_hbar)
+        self._angstrom = DescriptorNumber('angstrom', 1e-10, unit='m')
         self._diffusion_coefficient = diffusion_coefficient
         self._relaxation_time = relaxation_time
 
@@ -131,9 +129,9 @@ def diffusion_coefficient(self, diffusion_coefficient: Numeric) -> None:
             ValueError: If diffusion_coefficient is negative.
         """
         if not isinstance(diffusion_coefficient, Numeric):
-            raise TypeError("diffusion_coefficient must be a number.")
+            raise TypeError('diffusion_coefficient must be a number.')
         if float(diffusion_coefficient) < 0:
-            raise ValueError("diffusion_coefficient must be non-negative.")
+            raise ValueError('diffusion_coefficient must be non-negative.')
         self._diffusion_coefficient.value = float(diffusion_coefficient)
 
     @property
@@ -157,10 +155,10 @@ def relaxation_time(self, relaxation_time: Numeric) -> None:
             ValueError: If relaxation_time is negative.
         """
         if not isinstance(relaxation_time, Numeric):
-            raise TypeError("relaxation_time must be a number.")
+            raise TypeError('relaxation_time must be a number.')
 
         if float(relaxation_time) < 0:
-            raise ValueError("relaxation_time must be non-negative.")
+            raise ValueError('relaxation_time must be non-negative.')
         self._relaxation_time.value = float(relaxation_time)
 
     ################################
@@ -193,7 +191,7 @@ def calculate_width(self, Q: Q_type) -> np.ndarray:
         unit_conversion_factor_denominator = (
             self.diffusion_coefficient / self._angstrom**2 * self.relaxation_time
         )
-        unit_conversion_factor_denominator.convert_unit("dimensionless")
+        unit_conversion_factor_denominator.convert_unit('dimensionless')
 
         denominator = 1 + unit_conversion_factor_denominator.value * Q**2
 
@@ -231,7 +229,7 @@ def calculate_QISF(self, Q: Q_type) -> np.ndarray:
     def create_component_collections(
         self,
         Q: Q_type,
-        component_display_name: str = "Jump translational diffusion",
+        component_display_name: str = 'Jump translational diffusion',
     ) -> List[ComponentCollection]:
         """Create ComponentCollection components for the diffusion model
         at given Q values.
@@ -252,7 +250,7 @@ def create_component_collections(
         Q = _validate_and_convert_Q(Q)
 
         if not isinstance(component_display_name, str):
-            raise TypeError("component_name must be a string.")
+            raise TypeError('component_name must be a string.')
 
         component_collection_list = [None] * len(Q)
         # In more complex models, this is used to scale the area of the
@@ -264,7 +262,7 @@ def create_component_collections(
         # is 0.
         for i, Q_value in enumerate(Q):
             component_collection_list[i] = ComponentCollection(
-                display_name=f"{self.display_name}_Q{Q_value:.2f}", unit=self.unit
+                display_name=f'{self.display_name}_Q{Q_value:.2f}', unit=self.unit
             )
 
             lorentzian_component = Lorentzian(
@@ -311,10 +309,10 @@ def _write_width_dependency_expression(self, Q: float) -> str:
             TypeError: If Q is not a float.
         """
         if not isinstance(Q, (float)):
-            raise TypeError("Q must be a float.")
+            raise TypeError('Q must be a float.')
 
         # Q is given as a float, so we need to add the units
-        return f"hbar * D* {Q} **2/(angstrom**2)/(1 + (D * t* {Q} **2/(angstrom**2)))"
+        return f'hbar * D* {Q} **2/(angstrom**2)/(1 + (D * t* {Q} **2/(angstrom**2)))'
 
     def _write_width_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
         """Write the dependency map expression to make dependent
@@ -324,10 +322,10 @@ def _write_width_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
             Dict[str, DescriptorNumber]: Dependency map for the width.
         """
         return {
-            "D": self._diffusion_coefficient,
-            "t": self._relaxation_time,
-            "hbar": self._hbar,
-            "angstrom": self._angstrom,
+            'D': self._diffusion_coefficient,
+            't': self._relaxation_time,
+            'hbar': self._hbar,
+            'angstrom': self._angstrom,
         }
 
     def _write_area_dependency_expression(self, QISF: float) -> str:
@@ -345,9 +343,9 @@ def _write_area_dependency_expression(self, QISF: float) -> str:
         """
 
         if not isinstance(QISF, (float)):
-            raise TypeError("QISF must be a float.")
+            raise TypeError('QISF must be a float.')
 
-        return f"{QISF} * scale"
+        return f'{QISF} * scale'
 
     def _write_area_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
         """Write the dependency map expression to make dependent
@@ -357,7 +355,7 @@ def _write_area_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
             Dict[str, DescriptorNumber]: Dependency map for the area.
         """
         return {
-            "scale": self._scale,
+            'scale': self._scale,
         }
 
     ################################
@@ -373,6 +371,6 @@ def __repr__(self) -> str:
                 model.
         """
         return (
-            f"JumpTranslationalDiffusion(display_name={self.display_name}, "
-            f"diffusion_coefficient={self._diffusion_coefficient}, scale={self._scale})"
+            f'JumpTranslationalDiffusion(display_name={self.display_name}, '
+            f'diffusion_coefficient={self._diffusion_coefficient}, scale={self._scale})'
         )
diff --git a/src/easydynamics/sample_model/instrument_model.py b/src/easydynamics/sample_model/instrument_model.py
index f8cdf812e..1b0b54ab9 100644
--- a/src/easydynamics/sample_model/instrument_model.py
+++ b/src/easydynamics/sample_model/instrument_model.py
@@ -18,20 +18,21 @@
 
 class InstrumentModel(NewBase):
     """InstrumentModel represents a model of the instrument in an
-    experiment at various Q. It can contain a model of the resolution
-    function for convolutions, of the background and an offset in the
-    energy axis.
+    experiment at various Q.
+
+    It can contain a model of the resolution function for convolutions,
+    of the background and an offset in the energy axis.
     """
 
     def __init__(
         self,
-        display_name: str = "MyInstrumentModel",
+        display_name: str = 'MyInstrumentModel',
         unique_name: str | None = None,
         Q: Q_type | None = None,
         resolution_model: ResolutionModel | None = None,
         background_model: BackgroundModel | None = None,
         energy_offset: Numeric | None = None,
-        unit: str | sc.Unit = "meV",
+        unit: str | sc.Unit = 'meV',
     ):
         """Initialize an InstrumentModel.
 
@@ -70,8 +71,8 @@ def __init__(
         else:
             if not isinstance(resolution_model, ResolutionModel):
                 raise TypeError(
-                    f"resolution_model must be a ResolutionModel or None, "
-                    f"got {type(resolution_model).__name__}"
+                    f'resolution_model must be a ResolutionModel or None, '
+                    f'got {type(resolution_model).__name__}'
                 )
             self._resolution_model = resolution_model
 
@@ -80,8 +81,8 @@ def __init__(
         else:
             if not isinstance(background_model, BackgroundModel):
                 raise TypeError(
-                    f"background_model must be a BackgroundModel or None, "
-                    f"got {type(background_model).__name__}"
+                    f'background_model must be a BackgroundModel or None, '
+                    f'got {type(background_model).__name__}'
                 )
             self._background_model = background_model
 
@@ -89,10 +90,10 @@ def __init__(
             energy_offset = 0.0
 
         if not isinstance(energy_offset, Numeric):
-            raise TypeError("energy_offset must be a number or None")
+            raise TypeError('energy_offset must be a number or None')
 
         self._energy_offset = Parameter(
-            name="energy_offset",
+            name='energy_offset',
             value=float(energy_offset),
             unit=self.unit,
             fixed=False,
@@ -126,7 +127,7 @@ def resolution_model(self, value: ResolutionModel) -> None:
         """
         if not isinstance(value, ResolutionModel):
             raise TypeError(
-                f"resolution_model must be a ResolutionModel, got {type(value).__name__}"
+                f'resolution_model must be a ResolutionModel, got {type(value).__name__}'
             )
         self._resolution_model = value
         self._on_resolution_model_change()
@@ -155,7 +156,7 @@ def background_model(self, value: BackgroundModel) -> None:
 
         if not isinstance(value, BackgroundModel):
             raise TypeError(
-                f"background_model must be a BackgroundModel, got {type(value).__name__}"
+                f'background_model must be a BackgroundModel, got {type(value).__name__}'
             )
         self._background_model = value
         self._on_background_model_change()
@@ -206,8 +207,8 @@ def unit(self, unit_str: str) -> None:
         """
         raise AttributeError(
             (
-                f"Unit is read-only. Use convert_unit to change the unit between allowed types "
-                f"or create a new {self.__class__.__name__} with the desired unit."
+                f'Unit is read-only. Use convert_unit to change the unit between allowed types '
+                f'or create a new {self.__class__.__name__} with the desired unit.'
             )
         )  # noqa: E501
 
@@ -234,9 +235,7 @@ def energy_offset(self, value: Numeric) -> None:
             TypeError: If value is not a number.
         """
         if not isinstance(value, Numeric):
-            raise TypeError(
-                f"energy_offset must be a number, got {type(value).__name__}"
-            )
+            raise TypeError(f'energy_offset must be a number, got {type(value).__name__}')
         self._energy_offset.value = value
 
         self._on_energy_offset_change()
@@ -257,7 +256,7 @@ def convert_unit(self, unit_str: str | sc.Unit) -> None:
         """
         unit = _validate_unit(unit_str)
         if unit is None:
-            raise ValueError("unit_str must be a valid unit string or scipp Unit")
+            raise ValueError('unit_str must be a valid unit string or scipp Unit')
 
         self._background_model.convert_unit(unit)
         self._resolution_model.convert_unit(unit)
@@ -293,12 +292,10 @@ def get_all_variables(self, Q_index: int | None = None) -> list[Parameter]:
             variables = [self._energy_offsets[i] for i in range(len(self._Q))]
         else:
             if not isinstance(Q_index, int):
-                raise TypeError(
-                    f"Q_index must be an int or None, got {type(Q_index).__name__}"
-                )
+                raise TypeError(f'Q_index must be an int or None, got {type(Q_index).__name__}')
             if Q_index < 0 or Q_index >= len(self._Q):
                 raise IndexError(
-                    f"Q_index {Q_index} is out of bounds for Q of length {len(self._Q)}"
+                    f'Q_index {Q_index} is out of bounds for Q of length {len(self._Q)}'
                 )
             variables = [self._energy_offsets[Q_index]]
 
@@ -331,12 +328,10 @@ def get_energy_offset_at_Q(self, Q_index: int) -> Parameter:
             IndexError: If Q_index is out of bounds.
         """
         if self._Q is None:
-            raise ValueError("No Q values are set in the InstrumentModel.")
+            raise ValueError('No Q values are set in the InstrumentModel.')
 
         if Q_index < 0 or Q_index >= len(self._Q):
-            raise IndexError(
-                f"Q_index {Q_index} is out of bounds for Q of length {len(self._Q)}"
-            )
+            raise IndexError(f'Q_index {Q_index} is out of bounds for Q of length {len(self._Q)}')
 
         return self._energy_offsets[Q_index]
 
@@ -383,11 +378,11 @@ def __repr__(self) -> str:
         """
 
         return (
-            f"{self.__class__.__name__}("
-            f"unique_name={self.unique_name!r}, "
-            f"unit={self.unit}, "
-            f"Q_len={None if self._Q is None else len(self._Q)}, "
-            f"resolution_model={self._resolution_model!r}, "
-            f"background_model={self._background_model!r}"
-            f")"
+            f'{self.__class__.__name__}('
+            f'unique_name={self.unique_name!r}, '
+            f'unit={self.unit}, '
+            f'Q_len={None if self._Q is None else len(self._Q)}, '
+            f'resolution_model={self._resolution_model!r}, '
+            f'background_model={self._background_model!r}'
+            f')'
         )
diff --git a/src/easydynamics/sample_model/model_base.py b/src/easydynamics/sample_model/model_base.py
index dfa52cbfc..b0bdfc445 100644
--- a/src/easydynamics/sample_model/model_base.py
+++ b/src/easydynamics/sample_model/model_base.py
@@ -19,16 +19,15 @@
 class ModelBase(EasyScienceModelBase):
     """Base class for Sample Models.
 
-    Contains common functionality for models with components and
-    Q dependence.
-
+    Contains common functionality for models with components and Q
+    dependence.
     """
 
     def __init__(
         self,
-        display_name: str = "MyModelBase",
+        display_name: str = 'MyModelBase',
         unique_name: str | None = None,
-        unit: str | sc.Unit | None = "meV",
+        unit: str | sc.Unit | None = 'meV',
         components: ModelComponent | ComponentCollection | None = None,
         Q: Q_type | None = None,
     ):
@@ -60,8 +59,8 @@ def __init__(
             components, (ModelComponent, ComponentCollection)
         ):
             raise TypeError(
-                f"Components must be a ModelComponent, a ComponentCollection or None, "
-                f"got {type(components).__name__}"
+                f'Components must be a ModelComponent, a ComponentCollection or None, '
+                f'got {type(components).__name__}'
             )
 
         self._components = ComponentCollection()
@@ -94,8 +93,8 @@ def evaluate(
 
         if not self._component_collections:
             raise ValueError(
-                "No components in the model to evaluate. "
-                "Run generate_component_collections() first"
+                'No components in the model to evaluate. '
+                'Run generate_component_collections() first'
             )
         y = [collection.evaluate(x) for collection in self._component_collections]
 
@@ -158,8 +157,8 @@ def unit(self, unit_str: str) -> None:
         """
         raise AttributeError(
             (
-                f"Unit is read-only. Use convert_unit to change the unit between allowed types "
-                f"or create a new {self.__class__.__name__} with the desired unit."
+                f'Unit is read-only. Use convert_unit to change the unit between allowed types '
+                f'or create a new {self.__class__.__name__} with the desired unit.'
             )
         )  # noqa: E501
 
@@ -179,9 +178,7 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
         old_unit = self._unit
 
         if not isinstance(unit, (str, sc.Unit)):
-            raise TypeError(
-                f"Unit must be a string or sc.Unit, got {type(unit).__name__}"
-            )
+            raise TypeError(f'Unit must be a string or sc.Unit, got {type(unit).__name__}')
         try:
             for component in self.components:
                 component.convert_unit(unit)
@@ -218,9 +215,7 @@ def components(self, value: ModelComponent | ComponentCollection | None) -> None
                 ComponentCollection, or None.
         """
         if not isinstance(value, (ModelComponent, ComponentCollection, type(None))):
-            raise TypeError(
-                "Components must be a ModelComponent or a ComponentCollection"
-            )
+            raise TypeError('Components must be a ModelComponent or a ComponentCollection')
 
         self.clear_components()
         if value is not None:
@@ -299,13 +294,11 @@ def get_all_variables(self, Q_index: int | None = None) -> list[Parameter]:
             ]
         else:
             if not isinstance(Q_index, int):
-                raise TypeError(
-                    f"Q_index must be an int or None, got {type(Q_index).__name__}"
-                )
+                raise TypeError(f'Q_index must be an int or None, got {type(Q_index).__name__}')
             if Q_index < 0 or Q_index >= len(self._component_collections):
                 raise IndexError(
-                    f"Q_index {Q_index} is out of bounds for component collections "
-                    f"of length {len(self._component_collections)}"
+                    f'Q_index {Q_index} is out of bounds for component collections '
+                    f'of length {len(self._component_collections)}'
                 )
             all_vars = self._component_collections[Q_index].get_all_variables()
         return all_vars
@@ -326,11 +319,11 @@ def get_component_collection(self, Q_index: int) -> ComponentCollection:
                 ComponentCollections.
         """
         if not isinstance(Q_index, int):
-            raise TypeError(f"Q_index must be an int, got {type(Q_index).__name__}")
+            raise TypeError(f'Q_index must be an int, got {type(Q_index).__name__}')
         if Q_index < 0 or Q_index >= len(self._component_collections):
             raise IndexError(
-                f"Q_index {Q_index} is out of bounds for component collections "
-                f"of length {len(self._component_collections)}"
+                f'Q_index {Q_index} is out of bounds for component collections '
+                f'of length {len(self._component_collections)}'
             )
         return self._component_collections[Q_index]
 
@@ -368,6 +361,6 @@ def __repr__(self) -> str:
             str: A string representation of the ModelBase.
         """
         return (
-            f"{self.__class__.__name__}(unique_name={self.unique_name}, "
-            f"unit={self.unit}), Q = {self.Q}, components = {self.components}"
+            f'{self.__class__.__name__}(unique_name={self.unique_name}, '
+            f'unit={self.unit}), Q = {self.Q}, components = {self.components}'
         )
diff --git a/src/easydynamics/sample_model/resolution_model.py b/src/easydynamics/sample_model/resolution_model.py
index 3d2f828b7..998d862f6 100644
--- a/src/easydynamics/sample_model/resolution_model.py
+++ b/src/easydynamics/sample_model/resolution_model.py
@@ -19,9 +19,9 @@ class ResolutionModel(ModelBase):
 
     def __init__(
         self,
-        display_name: str = "MyResolutionModel",
+        display_name: str = 'MyResolutionModel',
         unique_name: str | None = None,
-        unit: str | sc.Unit = "meV",
+        unit: str | sc.Unit = 'meV',
         components: ModelComponent | ComponentCollection | None = None,
         Q: Q_type | None = None,
     ):
@@ -69,7 +69,7 @@ def append_component(self, component: ModelComponent | ComponentCollection) -> N
         for comp in components:
             if isinstance(comp, (DeltaFunction, Polynomial)):
                 raise TypeError(
-                    f"Component in ResolutionModel cannot be a {comp.__class__.__name__}"
+                    f'Component in ResolutionModel cannot be a {comp.__class__.__name__}'
                 )
 
         super().append_component(component)
diff --git a/src/easydynamics/sample_model/sample_model.py b/src/easydynamics/sample_model/sample_model.py
index 1e3acc5e7..f92f3880e 100644
--- a/src/easydynamics/sample_model/sample_model.py
+++ b/src/easydynamics/sample_model/sample_model.py
@@ -5,9 +5,7 @@
 import scipp as sc
 from easyscience.variable import Parameter
 
-from easydynamics.sample_model.diffusion_model.diffusion_model_base import (
-    DiffusionModelBase,
-)
+from easydynamics.sample_model.diffusion_model.diffusion_model_base import DiffusionModelBase
 from easydynamics.sample_model.model_base import ModelBase
 from easydynamics.utils import _detailed_balance_factor
 from easydynamics.utils.utils import Numeric
@@ -28,14 +26,14 @@ class SampleModel(ModelBase):
 
     def __init__(
         self,
-        display_name: str = "MySampleModel",
+        display_name: str = 'MySampleModel',
         unique_name: str | None = None,
-        unit: str | sc.Unit = "meV",
+        unit: str | sc.Unit = 'meV',
         components: ModelComponent | ComponentCollection | None = None,
         Q: Q_type | None = None,
         diffusion_models: DiffusionModelBase | list[DiffusionModelBase] | None = None,
         temperature: float | None = None,
-        temperature_unit: str | sc.Unit = "K",
+        temperature_unit: str | sc.Unit = 'K',
         divide_by_temperature: bool = True,
     ):
         """Initialize the SampleModel.
@@ -76,8 +74,8 @@ def __init__(
                 isinstance(dm, DiffusionModelBase) for dm in diffusion_models
             ):
                 raise TypeError(
-                    "diffusion_models must be a DiffusionModelBase, "
-                    "a list of DiffusionModelBase or None"
+                    'diffusion_models must be a DiffusionModelBase, '
+                    'a list of DiffusionModelBase or None'
                 )
             self._diffusion_models = diffusion_models
 
@@ -93,21 +91,21 @@ def __init__(
             self._temperature = None
         else:
             if not isinstance(temperature, Numeric):
-                raise TypeError("temperature must be a number or None")
+                raise TypeError('temperature must be a number or None')
 
             if temperature < 0:
-                raise ValueError("temperature must be non-negative")
+                raise ValueError('temperature must be non-negative')
             self._temperature = Parameter(
-                name="Temperature",
+                name='Temperature',
                 value=temperature,
                 unit=temperature_unit,
-                display_name="Temperature",
+                display_name='Temperature',
                 fixed=True,
             )
         self._temperature_unit = temperature_unit
 
         if not isinstance(divide_by_temperature, bool):
-            raise TypeError("divide_by_temperature must be True or False")
+            raise TypeError('divide_by_temperature must be True or False')
         self._divide_by_temperature = divide_by_temperature
 
     # ------------------------------------------------------------------
@@ -128,13 +126,13 @@ def append_diffusion_model(self, diffusion_model: DiffusionModelBase) -> None:
 
         if not isinstance(diffusion_model, DiffusionModelBase):
             raise TypeError(
-                f"diffusion_model must be a DiffusionModelBase, got {type(diffusion_model).__name__}"  # noqa: E501
+                f'diffusion_model must be a DiffusionModelBase, got {type(diffusion_model).__name__}'  # noqa: E501
             )
 
         self._diffusion_models.append(diffusion_model)
         self._generate_component_collections()
 
-    def remove_diffusion_model(self, name: "str") -> None:
+    def remove_diffusion_model(self, name: 'str') -> None:
         """Remove a DiffusionModel from the SampleModel by unique name.
 
         Args:
@@ -150,8 +148,8 @@ def remove_diffusion_model(self, name: "str") -> None:
                 self._generate_component_collections()
                 return
         raise ValueError(
-            f"No DiffusionModel with unique name {name} found. \n"
-            f"The available unique names are: {[dm.unique_name for dm in self._diffusion_models]}"
+            f'No DiffusionModel with unique name {name} found. \n'
+            f'The available unique names are: {[dm.unique_name for dm in self._diffusion_models]}'
         )
 
     def clear_diffusion_models(self) -> None:
@@ -200,8 +198,8 @@ def diffusion_models(
             isinstance(dm, DiffusionModelBase) for dm in value
         ):
             raise TypeError(
-                "diffusion_models must be a DiffusionModelBase, a list of DiffusionModelBase, "
-                "or None"
+                'diffusion_models must be a DiffusionModelBase, a list of DiffusionModelBase, '
+                'or None'
             )
         self._diffusion_models = value
         self._on_diffusion_models_change()
@@ -233,17 +231,17 @@ def temperature(self, value: Numeric | None) -> None:
             return
 
         if not isinstance(value, Numeric):
-            raise TypeError("temperature must be a number or None")
+            raise TypeError('temperature must be a number or None')
 
         if value < 0:
-            raise ValueError("temperature must be non-negative")
+            raise ValueError('temperature must be non-negative')
 
         if self._temperature is None:
             self._temperature = Parameter(
-                name="Temperature",
+                name='Temperature',
                 value=value,
                 unit=self._temperature_unit,
-                display_name="Temperature",
+                display_name='Temperature',
                 fixed=True,
             )
         else:
@@ -271,8 +269,8 @@ def temperature_unit(self, value: str | sc.Unit) -> None:
         """
 
         raise AttributeError(
-            f"Temperature_unit is read-only. Use convert_temperature_unit to change the unit between allowed types "  # noqa: E501
-            f"or create a new {self.__class__.__name__} with the desired unit."
+            f'Temperature_unit is read-only. Use convert_temperature_unit to change the unit between allowed types '  # noqa: E501
+            f'or create a new {self.__class__.__name__} with the desired unit.'
         )  # noqa: E501
 
     def convert_temperature_unit(self, unit: str | sc.Unit) -> None:
@@ -288,7 +286,7 @@ def convert_temperature_unit(self, unit: str | sc.Unit) -> None:
         """
 
         if self._temperature is None:
-            raise ValueError("Temperature is not set, cannot convert unit.")
+            raise ValueError('Temperature is not set, cannot convert unit.')
 
         old_unit = self._temperature.unit
 
@@ -327,7 +325,7 @@ def divide_by_temperature(self, value: bool) -> None:
             TypeError: If value is not a bool.
         """
         if not isinstance(value, bool):
-            raise TypeError("divide_by_temperature must be True or False")
+            raise TypeError('divide_by_temperature must be True or False')
         self._divide_by_temperature = value
 
     # ------------------------------------------------------------------
@@ -404,12 +402,8 @@ def _generate_component_collections(self) -> None:
         # Generate components from diffusion models
         # and add to component collections
         for diffusion_model in self._diffusion_models:
-            diffusion_collections = diffusion_model.create_component_collections(
-                Q=self._Q
-            )
-            for target, source in zip(
-                self._component_collections, diffusion_collections
-            ):
+            diffusion_collections = diffusion_model.create_component_collections(Q=self._Q)
+            for target, source in zip(self._component_collections, diffusion_collections):
                 for component in source.components:
                     target.append_component(component)
 
@@ -429,9 +423,9 @@ def __repr__(self) -> str:
         """
 
         return (
-            f"{self.__class__.__name__}(unique_name={self.unique_name}, unit={self._unit}), "
-            f"Q = {self._Q}, "
-            f"components = {self._components}, diffusion_models = {self._diffusion_models}, "
-            f"temperature = {self._temperature}, "
-            f"divide_by_temperature = {self._divide_by_temperature}"
+            f'{self.__class__.__name__}(unique_name={self.unique_name}, unit={self._unit}), '
+            f'Q = {self._Q}, '
+            f'components = {self._components}, diffusion_models = {self._diffusion_models}, '
+            f'temperature = {self._temperature}, '
+            f'divide_by_temperature = {self._divide_by_temperature}'
         )
diff --git a/src/easydynamics/utils/detailed_balance.py b/src/easydynamics/utils/detailed_balance.py
index 28802068a..8b47b22da 100644
--- a/src/easydynamics/utils/detailed_balance.py
+++ b/src/easydynamics/utils/detailed_balance.py
@@ -25,8 +25,8 @@
 def _detailed_balance_factor(
     energy: int | float | list | np.ndarray | sc.Variable,
     temperature: int | float | sc.Variable | Parameter,
-    energy_unit: str | sc.Unit = "meV",
-    temperature_unit: str | sc.Unit = "K",
+    energy_unit: str | sc.Unit = 'meV',
+    temperature_unit: str | sc.Unit = 'K',
     divide_by_temperature: bool = True,
 ) -> np.ndarray:
     r"""
@@ -79,60 +79,60 @@ def _detailed_balance_factor(
 
     # Input validation
     if not isinstance(divide_by_temperature, bool):
-        raise TypeError("divide_by_temperature must be True or False.")
+        raise TypeError('divide_by_temperature must be True or False.')
 
     if not isinstance(energy_unit, (str, sc.Unit)):
-        raise TypeError("energy_unit must be a string or scipp.Unit.")
+        raise TypeError('energy_unit must be a string or scipp.Unit.')
 
     if not isinstance(temperature_unit, (str, sc.Unit)):
-        raise TypeError("temperature_unit must be a string or scipp.Unit.")
+        raise TypeError('temperature_unit must be a string or scipp.Unit.')
 
     # Convert temperature and energy to sc variables
     # to make units easy to handle
     temperature = _convert_to_scipp_variable(
-        value=temperature, unit=temperature_unit, name="temperature"
+        value=temperature, unit=temperature_unit, name='temperature'
     )
 
     if temperature.value < 0:
-        raise ValueError("Temperature must be non-negative.")
+        raise ValueError('Temperature must be non-negative.')
 
-    energy = _convert_to_scipp_variable(value=energy, unit=energy_unit, name="energy")
+    energy = _convert_to_scipp_variable(value=energy, unit=energy_unit, name='energy')
 
     # What if people give units that don't make sense?
     try:
-        sc.to_unit(energy, unit="meV")
+        sc.to_unit(energy, unit='meV')
     except Exception as e:
         raise UnitError(
-            f"The unit of energy is wrong: {energy.unit}: {e} Check that energy has a valid unit."
+            f'The unit of energy is wrong: {energy.unit}: {e} Check that energy has a valid unit.'
         )
     # We give users the option to specify the unit of the energy,
     # but if the input has a unit, they might clash
     if energy.unit != energy_unit:
         warnings.warn(
-            f"Input energy has unit {energy.unit}, but energy_unit was set to {energy_unit}. "
-            f"Using {energy.unit}."
+            f'Input energy has unit {energy.unit}, but energy_unit was set to {energy_unit}. '
+            f'Using {energy.unit}.'
         )
 
     # Same for temperature
     try:
-        sc.to_unit(temperature, unit="K")
+        sc.to_unit(temperature, unit='K')
     except Exception as e:
         raise UnitError(
-            f"The unit of temperature is wrong: {temperature.unit}: {e} "
-            f"Check that temperature has a valid unit."
+            f'The unit of temperature is wrong: {temperature.unit}: {e} '
+            f'Check that temperature has a valid unit.'
         )
 
     if temperature.unit != temperature_unit:
         warnings.warn(
-            f"Input temperature has unit {temperature.unit}, "
-            f"but temperature_unit was set to {temperature_unit}. Using {temperature.unit}."
+            f'Input temperature has unit {temperature.unit}, '
+            f'but temperature_unit was set to {temperature_unit}. Using {temperature.unit}.'
         )
 
     # Zero temperature deserves special treatment.
     # Here, DBF is 0 for energy<0 and energy for energy>0
     if temperature.value == 0:
         if divide_by_temperature:
-            raise ZeroDivisionError("Cannot divide by T when T = 0.")
+            raise ZeroDivisionError('Cannot divide by T when T = 0.')
         DBF = sc.where(energy < 0.0 * energy.unit, 0.0 * energy.unit, energy)
 
         if DBF.sizes == {}:
@@ -148,7 +148,7 @@ def _detailed_balance_factor(
 
     x = energy / (kB * temperature)
 
-    x = sc.to_unit(x, unit="1")  # Make sure the unit is 1 and not e.g. 1e3
+    x = sc.to_unit(x, unit='1')  # Make sure the unit is 1 and not e.g. 1e3
 
     # Now compute DBF. First handle small and large x, then general.
 
@@ -165,9 +165,7 @@ def _detailed_balance_factor(
 
     # General case: exact formula
     mid = sc.logical_not(small) & sc.logical_not(large)
-    DBF = sc.where(
-        mid, x / (1 - sc.exp(-x)), DBF
-    )  # zeros in x are handled by SMALL_THRESHOLD
+    DBF = sc.where(mid, x / (1 - sc.exp(-x)), DBF)  # zeros in x are handled by SMALL_THRESHOLD
 
     #
     if not divide_by_temperature:
@@ -223,13 +221,11 @@ def _convert_to_scipp_variable(
         array_value = np.array(value.value)
         unit = value.unit
     else:
-        if name == "energy":
-            raise TypeError(
-                f"{name} must be a number, list, numpy array or scipp Variable"
-            )
+        if name == 'energy':
+            raise TypeError(f'{name} must be a number, list, numpy array or scipp Variable')
         else:
             raise TypeError(
-                f"{name} must be a number, list, numpy array, Parameter or scipp Variable"
+                f'{name} must be a number, list, numpy array, Parameter or scipp Variable'
             )
 
     # Create appropriate scipp variable based on shape
@@ -242,6 +238,6 @@ def _convert_to_scipp_variable(
     else:
         # Multi-element array
         try:
-            return sc.array(dims=["x"], values=array_value, unit=unit)
+            return sc.array(dims=['x'], values=array_value, unit=unit)
         except UnitError as e:
             raise UnitError(f"Invalid unit string '{unit}' for {name}: {e}")

From 886a53ce98e2fe808f5b06eb484a1c3b67b82555 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Fri, 13 Mar 2026 18:55:25 +0100
Subject: [PATCH 12/31] Aply unsafe auto formatting

---
 src/easydynamics/analysis/analysis.py                     | 2 +-
 src/easydynamics/analysis/analysis1d.py                   | 2 +-
 src/easydynamics/analysis/analysis_base.py                | 2 +-
 src/easydynamics/convolution/analytical_convolution.py    | 2 +-
 src/easydynamics/convolution/convolution.py               | 2 +-
 src/easydynamics/convolution/convolution_base.py          | 2 +-
 src/easydynamics/convolution/numerical_convolution.py     | 2 +-
 .../convolution/numerical_convolution_base.py             | 2 +-
 src/easydynamics/experiment/experiment.py                 | 8 ++++----
 src/easydynamics/sample_model/background_model.py         | 2 +-
 src/easydynamics/sample_model/component_collection.py     | 2 +-
 .../sample_model/components/damped_harmonic_oscillator.py | 2 +-
 .../sample_model/components/delta_function.py             | 2 +-
 src/easydynamics/sample_model/components/exponential.py   | 4 ++--
 src/easydynamics/sample_model/components/gaussian.py      | 2 +-
 src/easydynamics/sample_model/components/lorentzian.py    | 2 +-
 .../sample_model/components/model_component.py            | 8 ++++----
 src/easydynamics/sample_model/components/polynomial.py    | 4 ++--
 src/easydynamics/sample_model/components/voigt.py         | 2 +-
 .../diffusion_model/brownian_translational_diffusion.py   | 2 +-
 .../sample_model/diffusion_model/diffusion_model_base.py  | 2 +-
 .../diffusion_model/jump_translational_diffusion.py       | 2 +-
 src/easydynamics/sample_model/instrument_model.py         | 2 +-
 src/easydynamics/sample_model/model_base.py               | 2 +-
 src/easydynamics/sample_model/resolution_model.py         | 2 +-
 src/easydynamics/sample_model/sample_model.py             | 2 +-
 26 files changed, 34 insertions(+), 34 deletions(-)

diff --git a/src/easydynamics/analysis/analysis.py b/src/easydynamics/analysis/analysis.py
index acd122c41..4bad97757 100644
--- a/src/easydynamics/analysis/analysis.py
+++ b/src/easydynamics/analysis/analysis.py
@@ -63,7 +63,7 @@ def __init__(
         sample_model: SampleModel | None = None,
         instrument_model: InstrumentModel | None = None,
         extra_parameters: Parameter | list[Parameter] | None = None,
-    ):
+    ) -> None:
         """Initialize an Analysis object.
 
         Args:
diff --git a/src/easydynamics/analysis/analysis1d.py b/src/easydynamics/analysis/analysis1d.py
index 0fdaa9cec..809b5e343 100644
--- a/src/easydynamics/analysis/analysis1d.py
+++ b/src/easydynamics/analysis/analysis1d.py
@@ -69,7 +69,7 @@ def __init__(
         instrument_model: InstrumentModel | None = None,
         Q_index: int | None = None,
         extra_parameters: Parameter | list[Parameter] | None = None,
-    ):
+    ) -> None:
         """Initialize a Analysis1d.
 
         Args:
diff --git a/src/easydynamics/analysis/analysis_base.py b/src/easydynamics/analysis/analysis_base.py
index 0c1ab1714..365b54fb2 100644
--- a/src/easydynamics/analysis/analysis_base.py
+++ b/src/easydynamics/analysis/analysis_base.py
@@ -61,7 +61,7 @@ def __init__(
         sample_model: SampleModel | None = None,
         instrument_model: InstrumentModel | None = None,
         extra_parameters: Parameter | list[Parameter] | None = None,
-    ):
+    ) -> None:
         """Initialize the AnalysisBase.
 
         Args:
diff --git a/src/easydynamics/convolution/analytical_convolution.py b/src/easydynamics/convolution/analytical_convolution.py
index 2026c461e..534b4d7a6 100644
--- a/src/easydynamics/convolution/analytical_convolution.py
+++ b/src/easydynamics/convolution/analytical_convolution.py
@@ -54,7 +54,7 @@ def __init__(
         sample_components: ComponentCollection | ModelComponent | None = None,
         resolution_components: ComponentCollection | ModelComponent | None = None,
         energy_offset: Numeric | Parameter = 0.0,
-    ):
+    ) -> None:
         """Initialize an AnalyticalConvolution.
 
         Args:
diff --git a/src/easydynamics/convolution/convolution.py b/src/easydynamics/convolution/convolution.py
index 14df08f49..65bbf9ec8 100644
--- a/src/easydynamics/convolution/convolution.py
+++ b/src/easydynamics/convolution/convolution.py
@@ -104,7 +104,7 @@ def __init__(
         temperature_unit: str | sc.Unit = 'K',
         energy_unit: str | sc.Unit = 'meV',
         normalize_detailed_balance: bool = True,
-    ):
+    ) -> None:
         """Initialize the Convolution class.
 
         Args:
diff --git a/src/easydynamics/convolution/convolution_base.py b/src/easydynamics/convolution/convolution_base.py
index bd7638994..7972681e5 100644
--- a/src/easydynamics/convolution/convolution_base.py
+++ b/src/easydynamics/convolution/convolution_base.py
@@ -45,7 +45,7 @@ def __init__(
         resolution_components: ComponentCollection | ModelComponent = None,
         energy_unit: str | sc.Unit = 'meV',
         energy_offset: Numeric | Parameter = 0.0,
-    ):
+    ) -> None:
         """Initialize the ConvolutionBase.
 
         Args:
diff --git a/src/easydynamics/convolution/numerical_convolution.py b/src/easydynamics/convolution/numerical_convolution.py
index 79cc033d0..27c10b2b3 100644
--- a/src/easydynamics/convolution/numerical_convolution.py
+++ b/src/easydynamics/convolution/numerical_convolution.py
@@ -76,7 +76,7 @@ def __init__(
         temperature_unit: str | sc.Unit = 'K',
         energy_unit: str | sc.Unit = 'meV',
         normalize_detailed_balance: bool = True,
-    ):
+    ) -> None:
         """Initialize the NumericalConvolution object.
 
         Args:
diff --git a/src/easydynamics/convolution/numerical_convolution_base.py b/src/easydynamics/convolution/numerical_convolution_base.py
index e5e37a54a..ad4dffa77 100644
--- a/src/easydynamics/convolution/numerical_convolution_base.py
+++ b/src/easydynamics/convolution/numerical_convolution_base.py
@@ -86,7 +86,7 @@ def __init__(
         temperature_unit: str | sc.Unit = 'K',
         energy_unit: str | sc.Unit = 'meV',
         normalize_detailed_balance: bool = True,
-    ):
+    ) -> None:
         """Initialize the NumericalConvolutionBase.
 
         Args:
diff --git a/src/easydynamics/experiment/experiment.py b/src/easydynamics/experiment/experiment.py
index 06ecd2663..b7d3845bc 100644
--- a/src/easydynamics/experiment/experiment.py
+++ b/src/easydynamics/experiment/experiment.py
@@ -41,7 +41,7 @@ def __init__(
         display_name: str = 'MyExperiment',
         unique_name: str | None = None,
         data: sc.DataArray | str | None = None,
-    ):
+    ) -> None:
         """Initialize the Experiment object.
 
         Args:
@@ -219,7 +219,7 @@ def get_masked_energy(self, Q_index: int) -> sc.Variable | None:
     # Handle data
     ###########
 
-    def load_hdf5(self, filename: str, display_name: str | None = None):
+    def load_hdf5(self, filename: str, display_name: str | None = None) -> None:
         """Load data from an HDF5 file.
 
         Args:
@@ -251,7 +251,7 @@ def load_hdf5(self, filename: str, display_name: str | None = None):
         self._validate_coordinates(loaded_data)
         self.data = loaded_data
 
-    def save_hdf5(self, filename: str | None = None):
+    def save_hdf5(self, filename: str | None = None) -> None:
         """Save the dataset to HDF5.
 
         Args:
@@ -279,7 +279,7 @@ def save_hdf5(self, filename: str | None = None):
 
         sc_save_hdf5(self._data, filename)
 
-    def remove_data(self):
+    def remove_data(self) -> None:
         """Remove the dataset from the experiment."""
         self._data = None
         self._binned_data = None
diff --git a/src/easydynamics/sample_model/background_model.py b/src/easydynamics/sample_model/background_model.py
index 420fce403..91ced6db1 100644
--- a/src/easydynamics/sample_model/background_model.py
+++ b/src/easydynamics/sample_model/background_model.py
@@ -42,7 +42,7 @@ def __init__(
         unit: str | sc.Unit = 'meV',
         components: ComponentCollection | ModelComponent | None = None,
         Q: Q_type | None = None,
-    ):
+    ) -> None:
         """Initialize the BackgroundModel.
 
         Args:
diff --git a/src/easydynamics/sample_model/component_collection.py b/src/easydynamics/sample_model/component_collection.py
index 90ae96194..4b90f85cf 100644
--- a/src/easydynamics/sample_model/component_collection.py
+++ b/src/easydynamics/sample_model/component_collection.py
@@ -44,7 +44,7 @@ def __init__(
         display_name: str = 'MyComponentCollection',
         unique_name: str | None = None,
         components: List[ModelComponent] | None = None,
-    ):
+    ) -> None:
         """Initialize a new ComponentCollection.
 
         Args:
diff --git a/src/easydynamics/sample_model/components/damped_harmonic_oscillator.py b/src/easydynamics/sample_model/components/damped_harmonic_oscillator.py
index bf1007e6c..ce4a08fb1 100644
--- a/src/easydynamics/sample_model/components/damped_harmonic_oscillator.py
+++ b/src/easydynamics/sample_model/components/damped_harmonic_oscillator.py
@@ -56,7 +56,7 @@ def __init__(
         unit: str | sc.Unit = 'meV',
         display_name: str | None = 'DampedHarmonicOscillator',
         unique_name: str | None = None,
-    ):
+    ) -> None:
         """Initialize the Damped Harmonic Oscillator.
 
         Args:
diff --git a/src/easydynamics/sample_model/components/delta_function.py b/src/easydynamics/sample_model/components/delta_function.py
index 5a06a26f9..11e444f34 100644
--- a/src/easydynamics/sample_model/components/delta_function.py
+++ b/src/easydynamics/sample_model/components/delta_function.py
@@ -48,7 +48,7 @@ def __init__(
         unit: str | sc.Unit = 'meV',
         display_name: str | None = 'DeltaFunction',
         unique_name: str | None = None,
-    ):
+    ) -> None:
         """Initialize the Delta function.
 
         Args:
diff --git a/src/easydynamics/sample_model/components/exponential.py b/src/easydynamics/sample_model/components/exponential.py
index 8ad9fe09f..2f9e41ad8 100644
--- a/src/easydynamics/sample_model/components/exponential.py
+++ b/src/easydynamics/sample_model/components/exponential.py
@@ -55,7 +55,7 @@ def __init__(
         unit: str | sc.Unit = 'meV',
         display_name: str | None = 'Exponential',
         unique_name: str | None = None,
-    ):
+    ) -> None:
         """Initialize the Exponential component.
 
         Args:
@@ -216,7 +216,7 @@ def evaluate(
 
         return self.amplitude.value * np.exp(exponent)
 
-    def convert_unit(self, unit: str | sc.Unit):
+    def convert_unit(self, unit: str | sc.Unit) -> None:
         """Convert the unit of the Parameters in the component.
 
         Args:
diff --git a/src/easydynamics/sample_model/components/gaussian.py b/src/easydynamics/sample_model/components/gaussian.py
index 7e89cf18a..cfc83c16a 100644
--- a/src/easydynamics/sample_model/components/gaussian.py
+++ b/src/easydynamics/sample_model/components/gaussian.py
@@ -60,7 +60,7 @@ def __init__(
         unit: str | sc.Unit = 'meV',
         display_name: str | None = 'Gaussian',
         unique_name: str | None = None,
-    ):
+    ) -> None:
         """Initialize the Gaussian component.
 
         Args:
diff --git a/src/easydynamics/sample_model/components/lorentzian.py b/src/easydynamics/sample_model/components/lorentzian.py
index b61b7896b..64ebe5948 100644
--- a/src/easydynamics/sample_model/components/lorentzian.py
+++ b/src/easydynamics/sample_model/components/lorentzian.py
@@ -55,7 +55,7 @@ def __init__(
         unit: str | sc.Unit = 'meV',
         display_name: str | None = 'Lorentzian',
         unique_name: str | None = None,
-    ):
+    ) -> None:
         """Initialize the Lorentzian component.
 
         Args:
diff --git a/src/easydynamics/sample_model/components/model_component.py b/src/easydynamics/sample_model/components/model_component.py
index d4d5bc494..e1ecad34d 100644
--- a/src/easydynamics/sample_model/components/model_component.py
+++ b/src/easydynamics/sample_model/components/model_component.py
@@ -39,7 +39,7 @@ def __init__(
         unit: str | sc.Unit = 'meV',
         display_name: str | None = None,
         unique_name: str | None = None,
-    ):
+    ) -> None:
         """Initialize the ModelComponent.
 
         Args:
@@ -85,14 +85,14 @@ def unit(self, unit_str: str) -> None:
             )
         )  # noqa: E501
 
-    def fix_all_parameters(self):
+    def fix_all_parameters(self) -> None:
         """Fix all parameters in the model component."""
 
         pars = self.get_fittable_parameters()
         for p in pars:
             p.fixed = True
 
-    def free_all_parameters(self):
+    def free_all_parameters(self) -> None:
         """Free all parameters in the model component."""
         for p in self.get_fittable_parameters():
             p.fixed = False
@@ -182,7 +182,7 @@ def validate_unit(unit) -> None:
                 f'unit must be None, a string, or a scipp Unit, got {type(unit).__name__}'
             )
 
-    def convert_unit(self, unit: str | sc.Unit):
+    def convert_unit(self, unit: str | sc.Unit) -> None:
         """Convert the unit of the Parameters in the component.
 
         Args:
diff --git a/src/easydynamics/sample_model/components/polynomial.py b/src/easydynamics/sample_model/components/polynomial.py
index 4cd60902c..d3a8477d6 100644
--- a/src/easydynamics/sample_model/components/polynomial.py
+++ b/src/easydynamics/sample_model/components/polynomial.py
@@ -48,7 +48,7 @@ def __init__(
         unit: str | sc.Unit = 'meV',
         display_name: str | None = 'Polynomial',
         unique_name: str | None = None,
-    ):
+    ) -> None:
         """Initialize the Polynomial component.
 
         Args:
@@ -216,7 +216,7 @@ def get_all_variables(self) -> list[DescriptorBase]:
         """
         return list(self._coefficients)
 
-    def convert_unit(self, unit: str | sc.Unit):
+    def convert_unit(self, unit: str | sc.Unit) -> None:
         """Convert the unit of the polynomial.
 
         Args:
diff --git a/src/easydynamics/sample_model/components/voigt.py b/src/easydynamics/sample_model/components/voigt.py
index 16d5d1e08..d9ee918b7 100644
--- a/src/easydynamics/sample_model/components/voigt.py
+++ b/src/easydynamics/sample_model/components/voigt.py
@@ -54,7 +54,7 @@ def __init__(
         unit: str | sc.Unit = 'meV',
         display_name: str | None = 'Voigt',
         unique_name: str | None = None,
-    ):
+    ) -> None:
         """Initialize a Voigt component.
 
         Args:
diff --git a/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py b/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
index 25dcb1102..77285141e 100644
--- a/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
+++ b/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
@@ -46,7 +46,7 @@ def __init__(
         unit: str | sc.Unit = 'meV',
         scale: Numeric = 1.0,
         diffusion_coefficient: Numeric = 1.0,
-    ):
+    ) -> None:
         """Initialize a new BrownianTranslationalDiffusion model.
 
         Args:
diff --git a/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py b/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
index d8ba1a3a9..7a0d3e08f 100644
--- a/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
+++ b/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
@@ -19,7 +19,7 @@ def __init__(
         unique_name: str | None = None,
         scale: Numeric = 1.0,
         unit: str | sc.Unit = 'meV',
-    ):
+    ) -> None:
         """Initialize a new DiffusionModel.
 
         Args:
diff --git a/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py b/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py
index 46d3572c4..629251723 100644
--- a/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py
+++ b/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py
@@ -52,7 +52,7 @@ def __init__(
         scale: Numeric = 1.0,
         diffusion_coefficient: Numeric = 1.0,
         relaxation_time: Numeric = 1.0,
-    ):
+    ) -> None:
         """Initialize a new JumpTranslationalDiffusion model.
 
         Args:
diff --git a/src/easydynamics/sample_model/instrument_model.py b/src/easydynamics/sample_model/instrument_model.py
index 1b0b54ab9..2768cb621 100644
--- a/src/easydynamics/sample_model/instrument_model.py
+++ b/src/easydynamics/sample_model/instrument_model.py
@@ -33,7 +33,7 @@ def __init__(
         background_model: BackgroundModel | None = None,
         energy_offset: Numeric | None = None,
         unit: str | sc.Unit = 'meV',
-    ):
+    ) -> None:
         """Initialize an InstrumentModel.
 
         Args:
diff --git a/src/easydynamics/sample_model/model_base.py b/src/easydynamics/sample_model/model_base.py
index b0bdfc445..88f95c766 100644
--- a/src/easydynamics/sample_model/model_base.py
+++ b/src/easydynamics/sample_model/model_base.py
@@ -30,7 +30,7 @@ def __init__(
         unit: str | sc.Unit | None = 'meV',
         components: ModelComponent | ComponentCollection | None = None,
         Q: Q_type | None = None,
-    ):
+    ) -> None:
         """Initialize the ModelBase.
 
         Args:
diff --git a/src/easydynamics/sample_model/resolution_model.py b/src/easydynamics/sample_model/resolution_model.py
index 998d862f6..639bf8f81 100644
--- a/src/easydynamics/sample_model/resolution_model.py
+++ b/src/easydynamics/sample_model/resolution_model.py
@@ -24,7 +24,7 @@ def __init__(
         unit: str | sc.Unit = 'meV',
         components: ModelComponent | ComponentCollection | None = None,
         Q: Q_type | None = None,
-    ):
+    ) -> None:
         """Initialize a ResolutionModel.
 
         Args:
diff --git a/src/easydynamics/sample_model/sample_model.py b/src/easydynamics/sample_model/sample_model.py
index f92f3880e..ea5623afa 100644
--- a/src/easydynamics/sample_model/sample_model.py
+++ b/src/easydynamics/sample_model/sample_model.py
@@ -35,7 +35,7 @@ def __init__(
         temperature: float | None = None,
         temperature_unit: str | sc.Unit = 'K',
         divide_by_temperature: bool = True,
-    ):
+    ) -> None:
         """Initialize the SampleModel.
 
         Args:

From dec92c5e746cece247b0a2ba92728ef887a6bf05 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sat, 14 Mar 2026 20:54:57 +0100
Subject: [PATCH 13/31] More linting

---
 .../sample_model/components/polynomial.py     | 88 ++++++++-----------
 .../sample_model/components/voigt.py          | 86 +++++++-----------
 .../brownian_translational_diffusion.py       | 78 ++++++++--------
 3 files changed, 109 insertions(+), 143 deletions(-)

diff --git a/src/easydynamics/sample_model/components/polynomial.py b/src/easydynamics/sample_model/components/polynomial.py
index d3a8477d6..bf26ef710 100644
--- a/src/easydynamics/sample_model/components/polynomial.py
+++ b/src/easydynamics/sample_model/components/polynomial.py
@@ -25,59 +25,41 @@ class Polynomial(ModelComponent):
     I(x) = c_0 + c_1 x + c_2 x^2 + ... + c_N x^N,
     $$
     where $C_i$ are the coefficients.
-
-    Args:
-        coefficients (list or tuple): Coefficients c0, c1, ..., cN
-        unit (str or sc.Unit): Unit of the Polynomial component.
-        display_name (str): Display name of the Polynomial component.
-        unique_name (str or None): Unique name of the component.
-            If None, a unique_name is automatically generated.
-
-    Attributes:
-        coefficients (list of Parameter): Coefficients of the polynomial
-            as Parameters.
-        unit (str): Unit of the Polynomial component.
-        display_name (str): Display name of the Polynomial component.
-        unique_name (str or None): Unique name of the component.
-            If None, a unique_name is automatically generated.
     """
 
     def __init__(
         self,
         coefficients: Sequence[Numeric | Parameter] = (0.0,),
-        unit: str | sc.Unit = 'meV',
-        display_name: str | None = 'Polynomial',
+        unit: str | sc.Unit = "meV",
+        display_name: str | None = "Polynomial",
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Polynomial component.
 
         Args:
-            coefficients (list or tuple): Coefficients c0, c1, ..., cN
-            unit (str or sc.Unit): Unit of the Polynomial component.
-            display_name (str): Display name of the Polynomial
+            coefficients (Sequence[Numeric | Parameter], default=(0.0,)): Coefficients c0, c1, ..., cN
+            unit (str | sc.Unit, default='meV'): Unit of the Polynomial component.
+            display_name (str | None, default='Polynomial'): Display name of the Polynomial
                 component.
-            unique_name (str or None): Unique name of the component.
+            unique_name (str | None, default=None): Unique name of the component.
                 If None, a unique_name is automatically generated.
 
         Raises:
             TypeError: If coefficients is not a sequence of numbers or
-                Parameters.
+                Parameters or if any item in coefficients is not a number or Parameter.
             ValueError: If coefficients is an empty sequence.
-            TypeError: If any item in coefficients is not a number or
-                Parameter.
-            UnitError: If unit is not a string or sc.Unit.
         """
 
         super().__init__(display_name=display_name, unit=unit, unique_name=unique_name)
 
         if not isinstance(coefficients, (list, tuple, np.ndarray)):
             raise TypeError(
-                'coefficients must be a sequence (list/tuple/ndarray) \
-                    of numbers or Parameter objects.'
+                "coefficients must be a sequence (list/tuple/ndarray) \
+                    of numbers or Parameter objects."
             )
 
         if len(coefficients) == 0:
-            raise ValueError('At least one coefficient must be provided.')
+            raise ValueError("At least one coefficient must be provided.")
 
         # Internal storage of Parameter objects
         self._coefficients: list[Parameter] = []
@@ -87,9 +69,11 @@ def __init__(
             if isinstance(coef, Parameter):
                 param = coef
             elif isinstance(coef, Numeric):
-                param = Parameter(name=f'{display_name}_c{i}', value=float(coef))
+                param = Parameter(name=f"{display_name}_c{i}", value=float(coef))
             else:
-                raise TypeError('Each coefficient must be either a numeric value or a Parameter.')
+                raise TypeError(
+                    "Each coefficient must be either a numeric value or a Parameter."
+                )
             self._coefficients.append(param)
 
         # Helper scipp scalar to track unit conversions
@@ -118,19 +102,17 @@ def coefficients(self, coeffs: Sequence[Numeric | Parameter]) -> None:
 
         Raises:
             TypeError: If coeffs is not a sequence of numbers or
-                Parameters.
+                Parameters or if any item in coeffs is not a number or Parameter.
             ValueError: If the length of coeffs does not match the
                 existing number of coefficients.
-            TypeError: If any item in coeffs is not a number or
-                Parameter.
         """
         if not isinstance(coeffs, (list, tuple, np.ndarray)):
             raise TypeError(
-                'coefficients must be a sequence (list/tuple/ndarray) of numbers or Parameter .'
+                "coefficients must be a sequence (list/tuple/ndarray) of numbers or Parameter ."
             )
         if len(coeffs) != len(self._coefficients):
             raise ValueError(
-                'Number of coefficients must match the existing number of coefficients.'
+                "Number of coefficients must match the existing number of coefficients."
             )
         for i, coef in enumerate(coeffs):
             if isinstance(coef, Parameter):
@@ -139,7 +121,9 @@ def coefficients(self, coeffs: Sequence[Numeric | Parameter]) -> None:
             elif isinstance(coef, Numeric):
                 self._coefficients[i].value = float(coef)
             else:
-                raise TypeError('Each coefficient must be either a numeric value or a Parameter.')
+                raise TypeError(
+                    "Each coefficient must be either a numeric value or a Parameter."
+                )
 
     def coefficient_values(self) -> list[float]:
         """Get the coefficients of the polynomial as a list.
@@ -150,7 +134,9 @@ def coefficient_values(self) -> list[float]:
         coefficient_list = [param.value for param in self._coefficients]
         return coefficient_list
 
-    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
+    def evaluate(
+        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
+    ) -> np.ndarray:
         r"""Evaluate the Polynomial at the given x values.
 
         The intensity is given by
@@ -176,8 +162,8 @@ def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray)
 
         if any(result < 0):
             warnings.warn(
-                f'The Polynomial with unique_name {self.unique_name} has negative values, '
-                'which may not be physically meaningful.',
+                f"The Polynomial with unique_name {self.unique_name} has negative values, "
+                "which may not be physically meaningful.",
                 UserWarning,
             )
         return result
@@ -204,15 +190,15 @@ def degree(self, value: int) -> None:
                 directly.
         """
         raise AttributeError(
-            'The degree of the polynomial is determined by the number of coefficients \
-                and cannot be set directly.'
+            "The degree of the polynomial is determined by the number of coefficients \
+                and cannot be set directly."
         )
 
     def get_all_variables(self) -> list[DescriptorBase]:
-        """Get all parameters from the model component.
+        """Get all variables from the model component.
 
         Returns:
-        List[Parameter]: List of parameters in the component.
+            list[DescriptorBase]: List of variables in the component.
         """
         return list(self._coefficients)
 
@@ -220,19 +206,21 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
         """Convert the unit of the polynomial.
 
         Args:
-            unit (str or sc.Unit): The target unit to convert to.
+            unit (str | sc.Unit): The target unit to convert to.
 
         Raises:
             UnitError: If the provided unit is not a string or sc.Unit.
         """
 
         if not isinstance(unit, (str, sc.Unit)):
-            raise UnitError('unit must be a string or a scipp unit.')
+            raise UnitError("unit must be a string or a scipp unit.")
 
         # Find out how much the unit changes
         # by converting a helper variable
         conversion_value_before = self._unit_conversion_helper.value
-        self._unit_conversion_helper = sc.to_unit(self._unit_conversion_helper, unit=unit)
+        self._unit_conversion_helper = sc.to_unit(
+            self._unit_conversion_helper, unit=unit
+        )
         conversion_value_after = self._unit_conversion_helper.value
         for i, param in enumerate(self._coefficients):
             param.value *= (
@@ -248,9 +236,11 @@ def __repr__(self) -> str:
             str: A string representation of the Polynomial.
         """
 
-        coeffs_str = ', '.join(f'{param.name}={param.value}' for param in self._coefficients)
-        return f'Polynomial(unique_name = {self.unique_name}, \
-            unit = {self._unit},\n coefficients = [{coeffs_str}])'
+        coeffs_str = ", ".join(
+            f"{param.name}={param.value}" for param in self._coefficients
+        )
+        return f"Polynomial(unique_name = {self.unique_name}, \
+            unit = {self._unit},\n coefficients = [{coeffs_str}])"
 
 
 # from typing import Callable, Dict
diff --git a/src/easydynamics/sample_model/components/voigt.py b/src/easydynamics/sample_model/components/voigt.py
index d9ee918b7..088f3f6f2 100644
--- a/src/easydynamics/sample_model/components/voigt.py
+++ b/src/easydynamics/sample_model/components/voigt.py
@@ -20,29 +20,6 @@ class Voigt(CreateParametersMixin, ModelComponent):
     typically what you want in QENS.
 
     Use scipy.special.voigt_profile to evaluate the Voigt profile.
-
-    Args:
-        area (Int | float): Total area under the curve.
-        center (Int | float | None): Center of the Voigt profile.
-        gaussian_width (Int | float): Standard deviation of the
-            Gaussian part.
-        lorentzian_width (Int | float): Half width at half max (HWHM)
-            of the Lorentzian part.
-        unit (str | sc.Unit): Unit of the parameters. Defaults to "meV"
-        display_name (str | None): Display name of the component.
-        unique_name (str | None): Unique name of the component.
-            If None, a unique_name is automatically generated.
-
-    Attributes:
-        area (Parameter): Total area under the curve.
-        center (Parameter): Center of the Voigt profile.
-        gaussian_width (Parameter): Standard deviation of the Gaussian
-            part.
-        lorentzian_width (Parameter): Half width at half max (HWHM) of
-            the Lorentzian part.
-        unit (str | sc.Unit): Unit of the parameters.
-        display_name (str | None): Display name of the component.
-        unique_name (str | None): Unique name of the component.
     """
 
     def __init__(
@@ -51,30 +28,23 @@ def __init__(
         center: Numeric | Parameter | None = None,
         gaussian_width: Numeric | Parameter = 1.0,
         lorentzian_width: Numeric | Parameter = 1.0,
-        unit: str | sc.Unit = 'meV',
-        display_name: str | None = 'Voigt',
+        unit: str | sc.Unit = "meV",
+        display_name: str | None = "Voigt",
         unique_name: str | None = None,
     ) -> None:
         """Initialize a Voigt component.
 
         Args:
-            area (Int | float): Total area under the curve.
-            center (Int | float | None): Center of the Voigt profile.
-            gaussian_width (Int | float): Standard deviation of the
+            area (Numeric | Parameter, default=1.0): Total area under the curve.
+            center (Numeric | Parameter | None, default=None): Center of the Voigt profile.
+            gaussian_width (Numeric | Parameter, default=1.0): Standard deviation of the
                 Gaussian part.
-            lorentzian_width (Int | float): Half width at half max
+            lorentzian_width (Numeric | Parameter, default=1.0): Half width at half max
                 (HWHM) of the Lorentzian part.
-            unit (str | sc.Unit): Unit of the parameters. Defaults to
-                "meV"
-            display_name (str | None): Display name of the component.
-            unique_name (str | None): Unique name of the component.
+            unit (str | sc.Unit, default='meV'): Unit of the parameters.
+            display_name (str | None, default='Voigt'): Display name of the component.
+            unique_name (str | None, default=None): Unique name of the component.
                 If None, a unique_name is automatically generated.
-
-        Raises:
-            TypeError: If any of the parameters are not of the correct
-                type.
-            ValueError: If any of the parameters are not valid (e.g.
-                negative widths).
         """
 
         super().__init__(
@@ -84,20 +54,22 @@ def __init__(
         )
 
         # These methods live in ValidationMixin
-        area = self._create_area_parameter(area=area, name=display_name, unit=self._unit)
+        area = self._create_area_parameter(
+            area=area, name=display_name, unit=self._unit
+        )
         center = self._create_center_parameter(
             center=center, name=display_name, fix_if_none=True, unit=self._unit
         )
         gaussian_width = self._create_width_parameter(
             width=gaussian_width,
             name=display_name,
-            param_name='gaussian_width',
+            param_name="gaussian_width",
             unit=self._unit,
         )
         lorentzian_width = self._create_width_parameter(
             width=lorentzian_width,
             name=display_name,
-            param_name='lorentzian_width',
+            param_name="lorentzian_width",
             unit=self._unit,
         )
 
@@ -126,7 +98,7 @@ def area(self, value: Numeric) -> None:
             TypeError: If the value is not a number.
         """
         if not isinstance(value, Numeric):
-            raise TypeError('area must be a number')
+            raise TypeError("area must be a number")
         self._area.value = value
 
     @property
@@ -144,7 +116,7 @@ def center(self, value: Numeric | None) -> None:
 
         Args:
             value (Numeric | None): The new value for the center
-            parameter. If None, defaults to 0 and is fixed.
+                parameter. If None, defaults to 0 and is fixed.
 
         Raises:
             TypeError: If the value is not a number.
@@ -153,7 +125,7 @@ def center(self, value: Numeric | None) -> None:
             value = 0.0
             self._center.fixed = True
         if not isinstance(value, Numeric):
-            raise TypeError('center must be a number')
+            raise TypeError("center must be a number")
         self._center.value = value
 
     @property
@@ -170,17 +142,17 @@ def gaussian_width(self, value: Numeric) -> None:
         """Set the width parameter value.
 
         Args:
-            value (Numeric | None): The new value for the width
-            parameter.
+            value (Numeric): The new value for the width
+                parameter.
 
         Raises:
-            TypeError: If the value is not a number or None.
+            TypeError: If the value is not a number.
             ValueError: If the value is not positive.
         """
         if not isinstance(value, Numeric):
-            raise TypeError('gaussian_width must be a number')
+            raise TypeError("gaussian_width must be a number")
         if float(value) <= 0:
-            raise ValueError('gaussian_width must be positive')
+            raise ValueError("gaussian_width must be positive")
         self._gaussian_width.value = value
 
     @property
@@ -205,12 +177,14 @@ def lorentzian_width(self, value: Numeric) -> None:
             ValueError: If the value is not positive.
         """
         if not isinstance(value, Numeric):
-            raise TypeError('lorentzian_width must be a number')
+            raise TypeError("lorentzian_width must be a number")
         if float(value) <= 0:
-            raise ValueError('lorentzian_width must be positive')
+            raise ValueError("lorentzian_width must be positive")
         self._lorentzian_width.value = value
 
-    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
+    def evaluate(
+        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
+    ) -> np.ndarray:
         r"""Evaluate the Voigt at the given x values.
 
         If x is a scipp Variable, the unit of the Voigt will be
@@ -221,7 +195,7 @@ def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray)
 
 
         Args:
-            x (Numeric | list[Numeric] | np.ndarray | sc.Variable | sc.DataArray):
+            x (Numeric | list | np.ndarray | sc.Variable | sc.DataArray):
                 The x values at which to evaluate the Voigt.
 
         Returns:
@@ -244,8 +218,8 @@ def __repr__(self) -> str:
             str: A string representation of the Voigt.
         """
 
-        return f'Voigt(unique_name = {self.unique_name}, unit = {self._unit},\n \
+        return f"Voigt(unique_name = {self.unique_name}, unit = {self._unit},\n \
         area = {self.area},\n \
         center = {self.center},\n \
         gaussian_width = {self.gaussian_width},\n \
-        lorentzian_width = {self.lorentzian_width})'
+        lorentzian_width = {self.lorentzian_width})"
diff --git a/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py b/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
index 77285141e..65d20de29 100644
--- a/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
+++ b/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
@@ -12,7 +12,9 @@
 
 from easydynamics.sample_model.component_collection import ComponentCollection
 from easydynamics.sample_model.components import Lorentzian
-from easydynamics.sample_model.diffusion_model.diffusion_model_base import DiffusionModelBase
+from easydynamics.sample_model.diffusion_model.diffusion_model_base import (
+    DiffusionModelBase,
+)
 from easydynamics.utils.utils import Numeric
 from easydynamics.utils.utils import Q_type
 from easydynamics.utils.utils import _validate_and_convert_Q
@@ -41,9 +43,9 @@ class BrownianTranslationalDiffusion(DiffusionModelBase):
 
     def __init__(
         self,
-        display_name: str | None = 'BrownianTranslationalDiffusion',
+        display_name: str | None = "BrownianTranslationalDiffusion",
         unique_name: str | None = None,
-        unit: str | sc.Unit = 'meV',
+        unit: str | sc.Unit = "meV",
         scale: Numeric = 1.0,
         diffusion_coefficient: Numeric = 1.0,
     ) -> None:
@@ -65,16 +67,16 @@ def __init__(
                 number.
         """
         if not isinstance(scale, Numeric):
-            raise TypeError('scale must be a number.')
+            raise TypeError("scale must be a number.")
 
         if not isinstance(diffusion_coefficient, Numeric):
-            raise TypeError('diffusion_coefficient must be a number.')
+            raise TypeError("diffusion_coefficient must be a number.")
 
         diffusion_coefficient = Parameter(
-            name='diffusion_coefficient',
+            name="diffusion_coefficient",
             value=float(diffusion_coefficient),
             fixed=False,
-            unit='m**2/s',
+            unit="m**2/s",
             min=0.0,
         )
         super().__init__(
@@ -83,8 +85,8 @@ def __init__(
             unit=unit,
             scale=scale,
         )
-        self._hbar = DescriptorNumber.from_scipp('hbar', scipp_hbar)
-        self._angstrom = DescriptorNumber('angstrom', 1e-10, unit='m')
+        self._hbar = DescriptorNumber.from_scipp("hbar", scipp_hbar)
+        self._angstrom = DescriptorNumber("angstrom", 1e-10, unit="m")
         self._diffusion_coefficient = diffusion_coefficient
 
     # ------------------------------------------------------------------
@@ -113,10 +115,10 @@ def diffusion_coefficient(self, diffusion_coefficient: Numeric) -> None:
             ValueError: If diffusion_coefficient is negative.
         """
         if not isinstance(diffusion_coefficient, Numeric):
-            raise TypeError('diffusion_coefficient must be a number.')
+            raise TypeError("diffusion_coefficient must be a number.")
 
         if float(diffusion_coefficient) < 0:
-            raise ValueError('diffusion_coefficient must be non-negative.')
+            raise ValueError("diffusion_coefficient must be non-negative.")
         self._diffusion_coefficient.value = float(diffusion_coefficient)
 
     # ------------------------------------------------------------------
@@ -128,8 +130,7 @@ def calculate_width(self, Q: Q_type) -> np.ndarray:
         diffusion model.
 
         Args:
-            Q (np.ndarray | Numeric | list | ArrayLike): Scattering
-                vector in 1/angstrom
+            Q (Q_type): Scattering vector in 1/angstrom
 
         Returns:
             np.ndarray: HWHM values in the unit of the model
@@ -138,7 +139,9 @@ def calculate_width(self, Q: Q_type) -> np.ndarray:
 
         Q = _validate_and_convert_Q(Q)
 
-        unit_conversion_factor = self._hbar * self.diffusion_coefficient / (self._angstrom**2)
+        unit_conversion_factor = (
+            self._hbar * self.diffusion_coefficient / (self._angstrom**2)
+        )
         unit_conversion_factor.convert_unit(self.unit)
         width = Q**2 * unit_conversion_factor.value
 
@@ -149,7 +152,7 @@ def calculate_EISF(self, Q: Q_type) -> np.ndarray:
         the Brownian translational diffusion model.
 
         Args:
-            Q (np.ndarray | Numeric | list | ArrayLike): Scattering
+            Q (Q_type): Scattering
                 vector in 1/angstrom
 
         Returns:
@@ -164,8 +167,7 @@ def calculate_QISF(self, Q: Q_type) -> np.ndarray:
         (QISF).
 
         Args:
-            Q (np.ndarray | Numeric | list | ArrayLike): Scattering
-                vector in 1/angstrom
+            Q (Q_type): Scattering vector in 1/angstrom
 
         Returns:
             np.ndarray: QISF values (dimensionless).
@@ -178,15 +180,15 @@ def calculate_QISF(self, Q: Q_type) -> np.ndarray:
     def create_component_collections(
         self,
         Q: Q_type,
-        component_display_name: str = 'Brownian translational diffusion',
+        component_display_name: str = "Brownian diffusion",
     ) -> List[ComponentCollection]:
         r"""Create ComponentCollection components for the Brownian
         translational diffusion model at given Q values.
 
         Args:
-            Q (Number, list, or np.ndarray): Scattering vector values.
-            component_display_name (str): Name of the Lorentzian
-                component.
+            Q (Q_type): Scattering vector values.
+            component_display_name (str, default="Brownian diffusion"):
+                Name of the Lorentzian component.
 
         Returns:
             List[ComponentCollection]: List of ComponentCollections with
@@ -201,7 +203,7 @@ def create_component_collections(
         Q = _validate_and_convert_Q(Q)
 
         if not isinstance(component_display_name, str):
-            raise TypeError('component_name must be a string.')
+            raise TypeError("component_name must be a string.")
 
         component_collection_list = [None] * len(Q)
         # In more complex models, this is used to scale the area of the
@@ -213,7 +215,7 @@ def create_component_collections(
         # No delta function, as the EISF is 0.
         for i, Q_value in enumerate(Q):
             component_collection_list[i] = ComponentCollection(
-                display_name=f'{self.display_name}_Q{Q_value:.2f}', unit=self.unit
+                display_name=f"{self.display_name}_Q{Q_value:.2f}", unit=self.unit
             )
 
             lorentzian_component = Lorentzian(
@@ -251,19 +253,19 @@ def _write_width_dependency_expression(self, Q: float) -> str:
         of Q to make dependent Parameters.
 
         Args:
-            Q (float): Scattering vector in 1/angstrom
+            Q (float): Scattering vector in 1/angstrom.
 
-         Returns:
-             str: Dependency expression for the width.
+        Returns:
+            str: Dependency expression for the width.
 
-         Raises:
-             TypeError: If Q is not a float.
+        Raises:
+            TypeError: If Q is not a float.
         """
         if not isinstance(Q, (float)):
-            raise TypeError('Q must be a float.')
+            raise TypeError("Q must be a float.")
 
         # Q is given as a float, so we need to add the units
-        return f'hbar * D* {Q} **2*1/(angstrom**2)'
+        return f"hbar * D* {Q} **2*1/(angstrom**2)"
 
     def _write_width_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
         """Write the dependency map expression to make dependent
@@ -273,9 +275,9 @@ def _write_width_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
             Dict[str, DescriptorNumber]: Dependency map for the width.
         """
         return {
-            'D': self.diffusion_coefficient,
-            'hbar': self._hbar,
-            'angstrom': self._angstrom,
+            "D": self.diffusion_coefficient,
+            "hbar": self._hbar,
+            "angstrom": self._angstrom,
         }
 
     def _write_area_dependency_expression(self, QISF: float) -> str:
@@ -292,9 +294,9 @@ def _write_area_dependency_expression(self, QISF: float) -> str:
             TypeError: If QISF is not a float.
         """
         if not isinstance(QISF, (float)):
-            raise TypeError('QISF must be a float.')
+            raise TypeError("QISF must be a float.")
 
-        return f'{QISF} * scale'
+        return f"{QISF} * scale"
 
     def _write_area_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
         """Write the dependency map expression to make dependent
@@ -304,7 +306,7 @@ def _write_area_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
             Dict[str, DescriptorNumber]: Dependency map for the area.
         """
         return {
-            'scale': self.scale,
+            "scale": self.scale,
         }
 
     # ------------------------------------------------------------------
@@ -320,6 +322,6 @@ def __repr__(self) -> str:
                 BrownianTranslationalDiffusion model.
         """
         return (
-            f'BrownianTranslationalDiffusion(display_name={self.display_name},'
-            f'diffusion_coefficient={self.diffusion_coefficient}, scale={self.scale})'
+            f"BrownianTranslationalDiffusion(display_name={self.display_name},"
+            f"diffusion_coefficient={self.diffusion_coefficient}, scale={self.scale})"
         )

From 1170f8fa05a945fc96278d445aa6b1540c27c6b9 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sat, 14 Mar 2026 20:55:34 +0100
Subject: [PATCH 14/31] pixi run fix

---
 .../sample_model/components/polynomial.py     | 50 +++++++----------
 .../sample_model/components/voigt.py          | 32 +++++------
 .../brownian_translational_diffusion.py       | 54 +++++++++----------
 3 files changed, 59 insertions(+), 77 deletions(-)

diff --git a/src/easydynamics/sample_model/components/polynomial.py b/src/easydynamics/sample_model/components/polynomial.py
index bf26ef710..a79bd2372 100644
--- a/src/easydynamics/sample_model/components/polynomial.py
+++ b/src/easydynamics/sample_model/components/polynomial.py
@@ -30,8 +30,8 @@ class Polynomial(ModelComponent):
     def __init__(
         self,
         coefficients: Sequence[Numeric | Parameter] = (0.0,),
-        unit: str | sc.Unit = "meV",
-        display_name: str | None = "Polynomial",
+        unit: str | sc.Unit = 'meV',
+        display_name: str | None = 'Polynomial',
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Polynomial component.
@@ -54,12 +54,12 @@ def __init__(
 
         if not isinstance(coefficients, (list, tuple, np.ndarray)):
             raise TypeError(
-                "coefficients must be a sequence (list/tuple/ndarray) \
-                    of numbers or Parameter objects."
+                'coefficients must be a sequence (list/tuple/ndarray) \
+                    of numbers or Parameter objects.'
             )
 
         if len(coefficients) == 0:
-            raise ValueError("At least one coefficient must be provided.")
+            raise ValueError('At least one coefficient must be provided.')
 
         # Internal storage of Parameter objects
         self._coefficients: list[Parameter] = []
@@ -69,11 +69,9 @@ def __init__(
             if isinstance(coef, Parameter):
                 param = coef
             elif isinstance(coef, Numeric):
-                param = Parameter(name=f"{display_name}_c{i}", value=float(coef))
+                param = Parameter(name=f'{display_name}_c{i}', value=float(coef))
             else:
-                raise TypeError(
-                    "Each coefficient must be either a numeric value or a Parameter."
-                )
+                raise TypeError('Each coefficient must be either a numeric value or a Parameter.')
             self._coefficients.append(param)
 
         # Helper scipp scalar to track unit conversions
@@ -108,11 +106,11 @@ def coefficients(self, coeffs: Sequence[Numeric | Parameter]) -> None:
         """
         if not isinstance(coeffs, (list, tuple, np.ndarray)):
             raise TypeError(
-                "coefficients must be a sequence (list/tuple/ndarray) of numbers or Parameter ."
+                'coefficients must be a sequence (list/tuple/ndarray) of numbers or Parameter .'
             )
         if len(coeffs) != len(self._coefficients):
             raise ValueError(
-                "Number of coefficients must match the existing number of coefficients."
+                'Number of coefficients must match the existing number of coefficients.'
             )
         for i, coef in enumerate(coeffs):
             if isinstance(coef, Parameter):
@@ -121,9 +119,7 @@ def coefficients(self, coeffs: Sequence[Numeric | Parameter]) -> None:
             elif isinstance(coef, Numeric):
                 self._coefficients[i].value = float(coef)
             else:
-                raise TypeError(
-                    "Each coefficient must be either a numeric value or a Parameter."
-                )
+                raise TypeError('Each coefficient must be either a numeric value or a Parameter.')
 
     def coefficient_values(self) -> list[float]:
         """Get the coefficients of the polynomial as a list.
@@ -134,9 +130,7 @@ def coefficient_values(self) -> list[float]:
         coefficient_list = [param.value for param in self._coefficients]
         return coefficient_list
 
-    def evaluate(
-        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
-    ) -> np.ndarray:
+    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
         r"""Evaluate the Polynomial at the given x values.
 
         The intensity is given by
@@ -162,8 +156,8 @@ def evaluate(
 
         if any(result < 0):
             warnings.warn(
-                f"The Polynomial with unique_name {self.unique_name} has negative values, "
-                "which may not be physically meaningful.",
+                f'The Polynomial with unique_name {self.unique_name} has negative values, '
+                'which may not be physically meaningful.',
                 UserWarning,
             )
         return result
@@ -190,8 +184,8 @@ def degree(self, value: int) -> None:
                 directly.
         """
         raise AttributeError(
-            "The degree of the polynomial is determined by the number of coefficients \
-                and cannot be set directly."
+            'The degree of the polynomial is determined by the number of coefficients \
+                and cannot be set directly.'
         )
 
     def get_all_variables(self) -> list[DescriptorBase]:
@@ -213,14 +207,12 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
         """
 
         if not isinstance(unit, (str, sc.Unit)):
-            raise UnitError("unit must be a string or a scipp unit.")
+            raise UnitError('unit must be a string or a scipp unit.')
 
         # Find out how much the unit changes
         # by converting a helper variable
         conversion_value_before = self._unit_conversion_helper.value
-        self._unit_conversion_helper = sc.to_unit(
-            self._unit_conversion_helper, unit=unit
-        )
+        self._unit_conversion_helper = sc.to_unit(self._unit_conversion_helper, unit=unit)
         conversion_value_after = self._unit_conversion_helper.value
         for i, param in enumerate(self._coefficients):
             param.value *= (
@@ -236,11 +228,9 @@ def __repr__(self) -> str:
             str: A string representation of the Polynomial.
         """
 
-        coeffs_str = ", ".join(
-            f"{param.name}={param.value}" for param in self._coefficients
-        )
-        return f"Polynomial(unique_name = {self.unique_name}, \
-            unit = {self._unit},\n coefficients = [{coeffs_str}])"
+        coeffs_str = ', '.join(f'{param.name}={param.value}' for param in self._coefficients)
+        return f'Polynomial(unique_name = {self.unique_name}, \
+            unit = {self._unit},\n coefficients = [{coeffs_str}])'
 
 
 # from typing import Callable, Dict
diff --git a/src/easydynamics/sample_model/components/voigt.py b/src/easydynamics/sample_model/components/voigt.py
index 088f3f6f2..d57c91bcc 100644
--- a/src/easydynamics/sample_model/components/voigt.py
+++ b/src/easydynamics/sample_model/components/voigt.py
@@ -28,8 +28,8 @@ def __init__(
         center: Numeric | Parameter | None = None,
         gaussian_width: Numeric | Parameter = 1.0,
         lorentzian_width: Numeric | Parameter = 1.0,
-        unit: str | sc.Unit = "meV",
-        display_name: str | None = "Voigt",
+        unit: str | sc.Unit = 'meV',
+        display_name: str | None = 'Voigt',
         unique_name: str | None = None,
     ) -> None:
         """Initialize a Voigt component.
@@ -54,22 +54,20 @@ def __init__(
         )
 
         # These methods live in ValidationMixin
-        area = self._create_area_parameter(
-            area=area, name=display_name, unit=self._unit
-        )
+        area = self._create_area_parameter(area=area, name=display_name, unit=self._unit)
         center = self._create_center_parameter(
             center=center, name=display_name, fix_if_none=True, unit=self._unit
         )
         gaussian_width = self._create_width_parameter(
             width=gaussian_width,
             name=display_name,
-            param_name="gaussian_width",
+            param_name='gaussian_width',
             unit=self._unit,
         )
         lorentzian_width = self._create_width_parameter(
             width=lorentzian_width,
             name=display_name,
-            param_name="lorentzian_width",
+            param_name='lorentzian_width',
             unit=self._unit,
         )
 
@@ -98,7 +96,7 @@ def area(self, value: Numeric) -> None:
             TypeError: If the value is not a number.
         """
         if not isinstance(value, Numeric):
-            raise TypeError("area must be a number")
+            raise TypeError('area must be a number')
         self._area.value = value
 
     @property
@@ -125,7 +123,7 @@ def center(self, value: Numeric | None) -> None:
             value = 0.0
             self._center.fixed = True
         if not isinstance(value, Numeric):
-            raise TypeError("center must be a number")
+            raise TypeError('center must be a number')
         self._center.value = value
 
     @property
@@ -150,9 +148,9 @@ def gaussian_width(self, value: Numeric) -> None:
             ValueError: If the value is not positive.
         """
         if not isinstance(value, Numeric):
-            raise TypeError("gaussian_width must be a number")
+            raise TypeError('gaussian_width must be a number')
         if float(value) <= 0:
-            raise ValueError("gaussian_width must be positive")
+            raise ValueError('gaussian_width must be positive')
         self._gaussian_width.value = value
 
     @property
@@ -177,14 +175,12 @@ def lorentzian_width(self, value: Numeric) -> None:
             ValueError: If the value is not positive.
         """
         if not isinstance(value, Numeric):
-            raise TypeError("lorentzian_width must be a number")
+            raise TypeError('lorentzian_width must be a number')
         if float(value) <= 0:
-            raise ValueError("lorentzian_width must be positive")
+            raise ValueError('lorentzian_width must be positive')
         self._lorentzian_width.value = value
 
-    def evaluate(
-        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
-    ) -> np.ndarray:
+    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
         r"""Evaluate the Voigt at the given x values.
 
         If x is a scipp Variable, the unit of the Voigt will be
@@ -218,8 +214,8 @@ def __repr__(self) -> str:
             str: A string representation of the Voigt.
         """
 
-        return f"Voigt(unique_name = {self.unique_name}, unit = {self._unit},\n \
+        return f'Voigt(unique_name = {self.unique_name}, unit = {self._unit},\n \
         area = {self.area},\n \
         center = {self.center},\n \
         gaussian_width = {self.gaussian_width},\n \
-        lorentzian_width = {self.lorentzian_width})"
+        lorentzian_width = {self.lorentzian_width})'
diff --git a/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py b/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
index 65d20de29..8234e812d 100644
--- a/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
+++ b/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
@@ -12,9 +12,7 @@
 
 from easydynamics.sample_model.component_collection import ComponentCollection
 from easydynamics.sample_model.components import Lorentzian
-from easydynamics.sample_model.diffusion_model.diffusion_model_base import (
-    DiffusionModelBase,
-)
+from easydynamics.sample_model.diffusion_model.diffusion_model_base import DiffusionModelBase
 from easydynamics.utils.utils import Numeric
 from easydynamics.utils.utils import Q_type
 from easydynamics.utils.utils import _validate_and_convert_Q
@@ -43,9 +41,9 @@ class BrownianTranslationalDiffusion(DiffusionModelBase):
 
     def __init__(
         self,
-        display_name: str | None = "BrownianTranslationalDiffusion",
+        display_name: str | None = 'BrownianTranslationalDiffusion',
         unique_name: str | None = None,
-        unit: str | sc.Unit = "meV",
+        unit: str | sc.Unit = 'meV',
         scale: Numeric = 1.0,
         diffusion_coefficient: Numeric = 1.0,
     ) -> None:
@@ -67,16 +65,16 @@ def __init__(
                 number.
         """
         if not isinstance(scale, Numeric):
-            raise TypeError("scale must be a number.")
+            raise TypeError('scale must be a number.')
 
         if not isinstance(diffusion_coefficient, Numeric):
-            raise TypeError("diffusion_coefficient must be a number.")
+            raise TypeError('diffusion_coefficient must be a number.')
 
         diffusion_coefficient = Parameter(
-            name="diffusion_coefficient",
+            name='diffusion_coefficient',
             value=float(diffusion_coefficient),
             fixed=False,
-            unit="m**2/s",
+            unit='m**2/s',
             min=0.0,
         )
         super().__init__(
@@ -85,8 +83,8 @@ def __init__(
             unit=unit,
             scale=scale,
         )
-        self._hbar = DescriptorNumber.from_scipp("hbar", scipp_hbar)
-        self._angstrom = DescriptorNumber("angstrom", 1e-10, unit="m")
+        self._hbar = DescriptorNumber.from_scipp('hbar', scipp_hbar)
+        self._angstrom = DescriptorNumber('angstrom', 1e-10, unit='m')
         self._diffusion_coefficient = diffusion_coefficient
 
     # ------------------------------------------------------------------
@@ -115,10 +113,10 @@ def diffusion_coefficient(self, diffusion_coefficient: Numeric) -> None:
             ValueError: If diffusion_coefficient is negative.
         """
         if not isinstance(diffusion_coefficient, Numeric):
-            raise TypeError("diffusion_coefficient must be a number.")
+            raise TypeError('diffusion_coefficient must be a number.')
 
         if float(diffusion_coefficient) < 0:
-            raise ValueError("diffusion_coefficient must be non-negative.")
+            raise ValueError('diffusion_coefficient must be non-negative.')
         self._diffusion_coefficient.value = float(diffusion_coefficient)
 
     # ------------------------------------------------------------------
@@ -139,9 +137,7 @@ def calculate_width(self, Q: Q_type) -> np.ndarray:
 
         Q = _validate_and_convert_Q(Q)
 
-        unit_conversion_factor = (
-            self._hbar * self.diffusion_coefficient / (self._angstrom**2)
-        )
+        unit_conversion_factor = self._hbar * self.diffusion_coefficient / (self._angstrom**2)
         unit_conversion_factor.convert_unit(self.unit)
         width = Q**2 * unit_conversion_factor.value
 
@@ -180,7 +176,7 @@ def calculate_QISF(self, Q: Q_type) -> np.ndarray:
     def create_component_collections(
         self,
         Q: Q_type,
-        component_display_name: str = "Brownian diffusion",
+        component_display_name: str = 'Brownian diffusion',
     ) -> List[ComponentCollection]:
         r"""Create ComponentCollection components for the Brownian
         translational diffusion model at given Q values.
@@ -203,7 +199,7 @@ def create_component_collections(
         Q = _validate_and_convert_Q(Q)
 
         if not isinstance(component_display_name, str):
-            raise TypeError("component_name must be a string.")
+            raise TypeError('component_name must be a string.')
 
         component_collection_list = [None] * len(Q)
         # In more complex models, this is used to scale the area of the
@@ -215,7 +211,7 @@ def create_component_collections(
         # No delta function, as the EISF is 0.
         for i, Q_value in enumerate(Q):
             component_collection_list[i] = ComponentCollection(
-                display_name=f"{self.display_name}_Q{Q_value:.2f}", unit=self.unit
+                display_name=f'{self.display_name}_Q{Q_value:.2f}', unit=self.unit
             )
 
             lorentzian_component = Lorentzian(
@@ -262,10 +258,10 @@ def _write_width_dependency_expression(self, Q: float) -> str:
             TypeError: If Q is not a float.
         """
         if not isinstance(Q, (float)):
-            raise TypeError("Q must be a float.")
+            raise TypeError('Q must be a float.')
 
         # Q is given as a float, so we need to add the units
-        return f"hbar * D* {Q} **2*1/(angstrom**2)"
+        return f'hbar * D* {Q} **2*1/(angstrom**2)'
 
     def _write_width_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
         """Write the dependency map expression to make dependent
@@ -275,9 +271,9 @@ def _write_width_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
             Dict[str, DescriptorNumber]: Dependency map for the width.
         """
         return {
-            "D": self.diffusion_coefficient,
-            "hbar": self._hbar,
-            "angstrom": self._angstrom,
+            'D': self.diffusion_coefficient,
+            'hbar': self._hbar,
+            'angstrom': self._angstrom,
         }
 
     def _write_area_dependency_expression(self, QISF: float) -> str:
@@ -294,9 +290,9 @@ def _write_area_dependency_expression(self, QISF: float) -> str:
             TypeError: If QISF is not a float.
         """
         if not isinstance(QISF, (float)):
-            raise TypeError("QISF must be a float.")
+            raise TypeError('QISF must be a float.')
 
-        return f"{QISF} * scale"
+        return f'{QISF} * scale'
 
     def _write_area_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
         """Write the dependency map expression to make dependent
@@ -306,7 +302,7 @@ def _write_area_dependency_map_expression(self) -> Dict[str, DescriptorNumber]:
             Dict[str, DescriptorNumber]: Dependency map for the area.
         """
         return {
-            "scale": self.scale,
+            'scale': self.scale,
         }
 
     # ------------------------------------------------------------------
@@ -322,6 +318,6 @@ def __repr__(self) -> str:
                 BrownianTranslationalDiffusion model.
         """
         return (
-            f"BrownianTranslationalDiffusion(display_name={self.display_name},"
-            f"diffusion_coefficient={self.diffusion_coefficient}, scale={self.scale})"
+            f'BrownianTranslationalDiffusion(display_name={self.display_name},'
+            f'diffusion_coefficient={self.diffusion_coefficient}, scale={self.scale})'
         )

From 8356c54209e5e69441bd427660cafe2a841bbd0d Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sun, 15 Mar 2026 12:58:19 +0100
Subject: [PATCH 15/31] model_component

---
 .../components/model_component.py             | 86 ++++++++-----------
 .../sample_model/components/polynomial.py     | 66 ++++++++------
 2 files changed, 76 insertions(+), 76 deletions(-)

diff --git a/src/easydynamics/sample_model/components/model_component.py b/src/easydynamics/sample_model/components/model_component.py
index e1ecad34d..1289773bc 100644
--- a/src/easydynamics/sample_model/components/model_component.py
+++ b/src/easydynamics/sample_model/components/model_component.py
@@ -5,7 +5,6 @@
 
 import warnings
 from abc import abstractmethod
-from typing import List
 
 import numpy as np
 import scipp as sc
@@ -16,42 +15,22 @@
 
 
 class ModelComponent(ModelBase):
-    """Abstract base class for all model components.
-
-    Args:
-        unit (str | sc.Unit): The unit of the model component.
-            Default is 'meV'.
-        display_name (str | None): A human-readable name for the
-            component. Default is None.
-        unique_name (str | None): A unique identifier for the
-            component. Default is None.
-
-    Attributes:
-        unit (str): The unit of the model component.
-        display_name (str | None): A human-readable name for the
-            component.
-        unique_name (str | None): A unique identifier for the
-            component.
-    """
+    """Abstract base class for all model components."""
 
     def __init__(
         self,
-        unit: str | sc.Unit = 'meV',
+        unit: str | sc.Unit = "meV",
         display_name: str | None = None,
         unique_name: str | None = None,
     ) -> None:
         """Initialize the ModelComponent.
 
         Args:
-            unit (str | sc.Unit): The unit of the model component.
-                Default is 'meV'.
-            display_name (str | None): A human-readable name for the
-                component. Default is None.
-            unique_name (str | None): A unique identifier for the
-                component. Default is None.
-
-        Raises:
-            TypeError: If unit is not a string or scipp Unit.
+            unit (str | sc.Unit, default="meV"): The unit of the model component.
+            display_name (str | None, default=None): A human-readable name for the
+                component.
+            unique_name (str | None, default=None): A unique identifier for the
+                component.
         """
         self.validate_unit(unit)
         super().__init__(display_name=display_name, unique_name=unique_name)
@@ -80,8 +59,8 @@ def unit(self, unit_str: str) -> None:
         """
         raise AttributeError(
             (
-                f'Unit is read-only. Use convert_unit to change the unit between allowed types '
-                f'or create a new {self.__class__.__name__} with the desired unit.'
+                f"Unit is read-only. Use convert_unit to change the unit between allowed types "
+                f"or create a new {self.__class__.__name__} with the desired unit."
             )
         )  # noqa: E501
 
@@ -98,14 +77,14 @@ def free_all_parameters(self) -> None:
             p.fixed = False
 
     def _prepare_x_for_evaluate(
-        self, x: Numeric | List[Numeric] | np.ndarray | sc.Variable | sc.DataArray
+        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
     ) -> np.ndarray:
         """Prepare the input x for evaluation by handling units and
         converting to a numpy array.
 
         Args:
-            x (Numeric | List[Numeric] | np.ndarray | sc.Variable |
-            sc.DataArray): The input data to prepare.
+            x (Numeric | list | np.ndarray | sc.Variable | sc.DataArray):
+                The input data to prepare.
 
         Returns:
             np.ndarray: The prepared input data as a numpy array.
@@ -123,10 +102,10 @@ def _prepare_x_for_evaluate(
             coords = dict(x.coords)
             ncoords = len(coords)
             if ncoords != 1:
-                coord_names = ', '.join(coords.keys())
+                coord_names = ", ".join(coords.keys())
                 raise ValueError(
-                    f'scipp.DataArray must have exactly one coordinate to be used as input `x`. '
-                    f'Found {ncoords} coordinates: {coord_names}.'
+                    f"scipp.DataArray must have exactly one coordinate to be used as input `x`. "
+                    f"Found {ncoords} coordinates: {coord_names}."
                 )
             # get the coordinate, it's a sc.Variable
             coord_name, coord_obj = next(iter(coords.items()))
@@ -144,15 +123,15 @@ def _prepare_x_for_evaluate(
                     self.convert_unit(x.unit.name)
                 except Exception as e:
                     raise UnitError(
-                        f'Input x has unit {x.unit}, but {self.__class__.__name__} component \
+                        f"Input x has unit {x.unit}, but {self.__class__.__name__} component \
                             has unit {self._unit}. \
-                                Failed to convert {self.__class__.__name__} to {x.unit}.'
+                                Failed to convert {self.__class__.__name__} to {x.unit}."
                     ) from e
 
                 warnings.warn(
-                    f'Input x has unit {x.unit}, but {self.__class__.__name__} component \
+                    f"Input x has unit {x.unit}, but {self.__class__.__name__} component \
                         has unit {self_unit_for_warning}. \
-                            Converting {self.__class__.__name__} to {x.unit}.'
+                            Converting {self.__class__.__name__} to {x.unit}."
                 )
         else:
             x_in = x
@@ -163,30 +142,37 @@ def _prepare_x_for_evaluate(
             x_in = np.array(x_in)
 
         if any(np.isnan(x_in)):
-            raise ValueError('Input x contains NaN values.')
+            raise ValueError("Input x contains NaN values.")
 
         if any(np.isinf(x_in)):
-            raise ValueError('Input x contains infinite values.')
+            raise ValueError("Input x contains infinite values.")
 
         return np.sort(x_in)
 
     @staticmethod
-    def validate_unit(unit) -> None:
+    def validate_unit(unit: str | sc.Unit | None) -> None:
         """Validate that the unit is either a string or a scipp Unit.
 
+        Args:
+            unit (str | sc.Unit | None): The unit to validate.
+
         Raises:
             TypeError: If unit is not a string or scipp Unit.
         """
         if unit is not None and not isinstance(unit, (str, sc.Unit)):
             raise TypeError(
-                f'unit must be None, a string, or a scipp Unit, got {type(unit).__name__}'
+                f"unit must be None, a string, or a scipp Unit, got {type(unit).__name__}"
             )
 
     def convert_unit(self, unit: str | sc.Unit) -> None:
         """Convert the unit of the Parameters in the component.
 
         Args:
-            unit (str or sc.Unit): The new unit to convert to.
+            unit (str | sc.Unit): The new unit to convert to.
+
+        Raises:
+            Exception: If the provided unit is invalid or incompatible
+                with the component's parameters.
         """
 
         old_unit = self._unit
@@ -199,7 +185,7 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
             # Attempt to rollback on failure
             try:
                 for p in pars:
-                    if hasattr(p, 'convert_unit'):
+                    if hasattr(p, "convert_unit"):
                         p.convert_unit(old_unit)
             except Exception:  # noqa: S110
                 pass  # Best effort rollback
@@ -207,14 +193,14 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
 
     @abstractmethod
     def evaluate(
-        self, x: Numeric | List[Numeric] | np.ndarray | sc.Variable | sc.DataArray
+        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
     ) -> np.ndarray:
         """Abstract method to evaluate the model component at input x.
         Must be implemented by subclasses.
 
         Args:
-            x (Numeric | list[Numeric] | np.ndarray | sc.Variable | sc.DataArray):
-                Input values.
+            x (Numeric | list | np.ndarray | sc.Variable | sc.DataArray):
+                The x values at which to evaluate the component.
 
         Returns:
             np.ndarray: Evaluated function values.
@@ -228,4 +214,4 @@ def __repr__(self) -> str:
             str: A string representation of the ModelComponent.
         """
 
-        return f'{self.__class__.__name__}(unique_name={self.unique_name}, unit={self._unit})'
+        return f"{self.__class__.__name__}(unique_name={self.unique_name}, unit={self._unit})"
diff --git a/src/easydynamics/sample_model/components/polynomial.py b/src/easydynamics/sample_model/components/polynomial.py
index a79bd2372..e5ecaa117 100644
--- a/src/easydynamics/sample_model/components/polynomial.py
+++ b/src/easydynamics/sample_model/components/polynomial.py
@@ -30,23 +30,27 @@ class Polynomial(ModelComponent):
     def __init__(
         self,
         coefficients: Sequence[Numeric | Parameter] = (0.0,),
-        unit: str | sc.Unit = 'meV',
-        display_name: str | None = 'Polynomial',
+        unit: str | sc.Unit = "meV",
+        display_name: str | None = "Polynomial",
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Polynomial component.
 
         Args:
-            coefficients (Sequence[Numeric | Parameter], default=(0.0,)): Coefficients c0, c1, ..., cN
-            unit (str | sc.Unit, default='meV'): Unit of the Polynomial component.
-            display_name (str | None, default='Polynomial'): Display name of the Polynomial
+            coefficients (Sequence[Numeric | Parameter], default=(0.0,)):
+                Coefficients c0, c1, ..., cN
+            unit (str | sc.Unit, default='meV'): Unit of the Polynomial
                 component.
-            unique_name (str | None, default=None): Unique name of the component.
-                If None, a unique_name is automatically generated.
+            display_name (str | None, default='Polynomial'): Display
+                name of the Polynomial component.
+            unique_name (str | None, default=None): Unique name of the
+                component. If None, a unique_name is automatically
+                generated.
 
         Raises:
             TypeError: If coefficients is not a sequence of numbers or
-                Parameters or if any item in coefficients is not a number or Parameter.
+                Parameters or if any item in coefficients is not a
+                number or Parameter.
             ValueError: If coefficients is an empty sequence.
         """
 
@@ -54,12 +58,12 @@ def __init__(
 
         if not isinstance(coefficients, (list, tuple, np.ndarray)):
             raise TypeError(
-                'coefficients must be a sequence (list/tuple/ndarray) \
-                    of numbers or Parameter objects.'
+                "coefficients must be a sequence (list/tuple/ndarray) \
+                    of numbers or Parameter objects."
             )
 
         if len(coefficients) == 0:
-            raise ValueError('At least one coefficient must be provided.')
+            raise ValueError("At least one coefficient must be provided.")
 
         # Internal storage of Parameter objects
         self._coefficients: list[Parameter] = []
@@ -69,9 +73,11 @@ def __init__(
             if isinstance(coef, Parameter):
                 param = coef
             elif isinstance(coef, Numeric):
-                param = Parameter(name=f'{display_name}_c{i}', value=float(coef))
+                param = Parameter(name=f"{display_name}_c{i}", value=float(coef))
             else:
-                raise TypeError('Each coefficient must be either a numeric value or a Parameter.')
+                raise TypeError(
+                    "Each coefficient must be either a numeric value or a Parameter."
+                )
             self._coefficients.append(param)
 
         # Helper scipp scalar to track unit conversions
@@ -106,11 +112,11 @@ def coefficients(self, coeffs: Sequence[Numeric | Parameter]) -> None:
         """
         if not isinstance(coeffs, (list, tuple, np.ndarray)):
             raise TypeError(
-                'coefficients must be a sequence (list/tuple/ndarray) of numbers or Parameter .'
+                "coefficients must be a sequence (list/tuple/ndarray) of numbers or Parameter ."
             )
         if len(coeffs) != len(self._coefficients):
             raise ValueError(
-                'Number of coefficients must match the existing number of coefficients.'
+                "Number of coefficients must match the existing number of coefficients."
             )
         for i, coef in enumerate(coeffs):
             if isinstance(coef, Parameter):
@@ -119,7 +125,9 @@ def coefficients(self, coeffs: Sequence[Numeric | Parameter]) -> None:
             elif isinstance(coef, Numeric):
                 self._coefficients[i].value = float(coef)
             else:
-                raise TypeError('Each coefficient must be either a numeric value or a Parameter.')
+                raise TypeError(
+                    "Each coefficient must be either a numeric value or a Parameter."
+                )
 
     def coefficient_values(self) -> list[float]:
         """Get the coefficients of the polynomial as a list.
@@ -130,7 +138,9 @@ def coefficient_values(self) -> list[float]:
         coefficient_list = [param.value for param in self._coefficients]
         return coefficient_list
 
-    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
+    def evaluate(
+        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
+    ) -> np.ndarray:
         r"""Evaluate the Polynomial at the given x values.
 
         The intensity is given by
@@ -156,8 +166,8 @@ def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray)
 
         if any(result < 0):
             warnings.warn(
-                f'The Polynomial with unique_name {self.unique_name} has negative values, '
-                'which may not be physically meaningful.',
+                f"The Polynomial with unique_name {self.unique_name} has negative values, "
+                "which may not be physically meaningful.",
                 UserWarning,
             )
         return result
@@ -184,8 +194,8 @@ def degree(self, value: int) -> None:
                 directly.
         """
         raise AttributeError(
-            'The degree of the polynomial is determined by the number of coefficients \
-                and cannot be set directly.'
+            "The degree of the polynomial is determined by the number of coefficients \
+                and cannot be set directly."
         )
 
     def get_all_variables(self) -> list[DescriptorBase]:
@@ -207,12 +217,14 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
         """
 
         if not isinstance(unit, (str, sc.Unit)):
-            raise UnitError('unit must be a string or a scipp unit.')
+            raise UnitError("unit must be a string or a scipp unit.")
 
         # Find out how much the unit changes
         # by converting a helper variable
         conversion_value_before = self._unit_conversion_helper.value
-        self._unit_conversion_helper = sc.to_unit(self._unit_conversion_helper, unit=unit)
+        self._unit_conversion_helper = sc.to_unit(
+            self._unit_conversion_helper, unit=unit
+        )
         conversion_value_after = self._unit_conversion_helper.value
         for i, param in enumerate(self._coefficients):
             param.value *= (
@@ -228,9 +240,11 @@ def __repr__(self) -> str:
             str: A string representation of the Polynomial.
         """
 
-        coeffs_str = ', '.join(f'{param.name}={param.value}' for param in self._coefficients)
-        return f'Polynomial(unique_name = {self.unique_name}, \
-            unit = {self._unit},\n coefficients = [{coeffs_str}])'
+        coeffs_str = ", ".join(
+            f"{param.name}={param.value}" for param in self._coefficients
+        )
+        return f"Polynomial(unique_name = {self.unique_name}, \
+            unit = {self._unit},\n coefficients = [{coeffs_str}])"
 
 
 # from typing import Callable, Dict

From 9dbc9e90c2894a0aab36644da640fe4f5ec06d7f Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sun, 15 Mar 2026 19:51:31 +0100
Subject: [PATCH 16/31] mixins

---
 .../sample_model/components/mixins.py         | 58 +++++++++++--------
 1 file changed, 33 insertions(+), 25 deletions(-)

diff --git a/src/easydynamics/sample_model/components/mixins.py b/src/easydynamics/sample_model/components/mixins.py
index c0b14d585..22f9cc221 100644
--- a/src/easydynamics/sample_model/components/mixins.py
+++ b/src/easydynamics/sample_model/components/mixins.py
@@ -27,7 +27,7 @@ def _create_area_parameter(
         self,
         area: Numeric | Parameter,
         name: str,
-        unit: str | sc.Unit = 'meV',
+        unit: str | sc.Unit = "meV",
         minimum_area: float = MINIMUM_AREA,
     ) -> Parameter:
         """Validate and convert a number to a Parameter describing the
@@ -40,28 +40,29 @@ def _create_area_parameter(
         Args:
             area (Numeric | Parameter): The area value or Parameter.
             name (str): The name of the model component.
-            unit (str | sc.Unit): The unit of the area Parameter.
-            minimum_area (float): The minimum allowed area.
+            unit (str | sc.Unit, default='meV'): The unit of the area Parameter.
+            minimum_area (float, default=MINIMUM_AREA): The minimum allowed area.
 
         Returns:
             Parameter: The validated area Parameter.
 
         Raises:
             TypeError: If area is not a number or a Parameter.
-            Warning: If area is negative.
+            ValueError: If area is not a finite number or if the area
+                Parameter has a non-finite value.
         """
         if not isinstance(area, (Parameter, Numeric)):
-            raise TypeError('area must be a number or a Parameter.')
+            raise TypeError("area must be a number or a Parameter.")
 
         if isinstance(area, Numeric):
             if not np.isfinite(area):
-                raise ValueError('area must be a finite number or a Parameter')
+                raise ValueError("area must be a finite number or a Parameter")
 
-            area = Parameter(name=name + ' area', value=float(area), unit=unit)
+            area = Parameter(name=name + " area", value=float(area), unit=unit)
 
         if area.value < 0:
             warnings.warn(
-                f'The area of {name} is negative, which may not be physically meaningful.'
+                f"The area of {name} is negative, which may not be physically meaningful."
             )
         else:
             area.min = minimum_area
@@ -73,7 +74,7 @@ def _create_center_parameter(
         center: Numeric | Parameter | None,
         name: str,
         fix_if_none: bool,
-        unit: str | sc.Unit = 'meV',
+        unit: str | sc.Unit = "meV",
         enforce_minimum_center: bool = False,
     ) -> Parameter:
         """Validate and convert a number to a Parameter describing the
@@ -85,29 +86,35 @@ def _create_center_parameter(
             name (str): The name of the model component.
             fix_if_none (bool): Whether to fix the center Parameter
                 if center is None.
-            unit (str | sc.Unit): The unit of the center Parameter.
+            unit (str | sc.Unit, default='meV'): The unit of the center
+                Parameter.
+            enforce_minimum_center (bool, default=False): Whether to
+                enforce a minimum center value to avoid zero center in
+                DHO.
 
         Returns:
             Parameter: The validated center Parameter.
 
         Raises:
             TypeError: If center is not None, a number, or a Parameter.
+            ValueError: If center is a number but not finite, or if
+                center is a Parameter but has a non-finite value.
         """
         if center is not None and not isinstance(center, (Numeric, Parameter)):
-            raise TypeError('center must be None, a number, or a Parameter.')
+            raise TypeError("center must be None, a number, or a Parameter.")
 
         if center is None:
             center = Parameter(
-                name=name + ' center',
+                name=name + " center",
                 value=0.0,
                 unit=unit,
                 fixed=fix_if_none,
             )
         elif isinstance(center, Numeric):
             if not np.isfinite(center):
-                raise ValueError('center must be None, a finite number or a Parameter')
+                raise ValueError("center must be None, a finite number or a Parameter")
 
-            center = Parameter(name=name + ' center', value=float(center), unit=unit)
+            center = Parameter(name=name + " center", value=float(center), unit=unit)
         if enforce_minimum_center:
             center.min = DHO_MINIMUM_CENTER
         return center
@@ -116,19 +123,20 @@ def _create_width_parameter(
         self,
         width: Numeric | Parameter,
         name: str,
-        param_name: str = 'width',
-        unit: str | sc.Unit = 'meV',
+        param_name: str = "width",
+        unit: str | sc.Unit = "meV",
         minimum_width: float = MINIMUM_WIDTH,
     ) -> Parameter:
         """Validate and convert a number to a Parameter describing the
         width of a function.
 
         Args:
-            width (Numeric or Parameter): The width value or Parameter.
+            width (Numeric | Parameter): The width value or Parameter.
             name (str): The name of the model component.
-            param_name (str): The name of the width parameter.
-            unit (str or sc.Unit): The unit of the width Parameter.
-            minimum_width (float): The minimum allowed width.
+            param_name (str, default='width'): The name of the width parameter.
+            unit (str | sc.Unit, default='meV'): The unit of the width Parameter.
+            minimum_width (float, default=MINIMUM_WIDTH): The minimum
+                allowed width.
 
         Returns:
             Parameter: The validated width Parameter.
@@ -138,18 +146,18 @@ def _create_width_parameter(
             ValueError: If width is non-positive.
         """
         if not isinstance(width, (Numeric, Parameter)):
-            raise TypeError(f'{param_name} must be a number or a Parameter.')
+            raise TypeError(f"{param_name} must be a number or a Parameter.")
 
         if isinstance(width, Numeric):
             if not np.isfinite(width):
-                raise ValueError(f'{param_name} must be a finite number or a Parameter')
+                raise ValueError(f"{param_name} must be a finite number or a Parameter")
 
             if float(width) < minimum_width:
                 raise ValueError(
-                    f'The {param_name} of a {self.__class__.__name__} must be greater than zero.'
+                    f"The {param_name} of a {self.__class__.__name__} must be greater than zero."
                 )
             width = Parameter(
-                name=name + ' ' + param_name,
+                name=name + " " + param_name,
                 value=float(width),
                 unit=unit,
                 min=minimum_width,
@@ -157,7 +165,7 @@ def _create_width_parameter(
         else:
             if width.value <= 0:
                 raise ValueError(
-                    f'The {param_name} of a {self.__class__.__name__} must be greater than zero.'
+                    f"The {param_name} of a {self.__class__.__name__} must be greater than zero."
                 )
             width.min = minimum_width
 

From 109c9681158544c02716412fa41c125a769a61a3 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sun, 15 Mar 2026 19:54:49 +0100
Subject: [PATCH 17/31] lorentzian

---
 .../sample_model/components/lorentzian.py     | 75 +++++++------------
 1 file changed, 28 insertions(+), 47 deletions(-)

diff --git a/src/easydynamics/sample_model/components/lorentzian.py b/src/easydynamics/sample_model/components/lorentzian.py
index 64ebe5948..6a0375db6 100644
--- a/src/easydynamics/sample_model/components/lorentzian.py
+++ b/src/easydynamics/sample_model/components/lorentzian.py
@@ -25,26 +25,6 @@ class Lorentzian(CreateParametersMixin, ModelComponent):
 
     If the center is not provided, it will be centered at 0
     and fixed, which is typically what you want in QENS.
-
-    Args:
-        area (Int | float | Parameter): Area of the Lorentzian.
-        center (Int | float | None | Parameter): Center of the
-            Lorentzian. If None, defaults to 0 and is fixed
-        width (Int | float | Parameter): Half width at half maximum
-            (HWHM).
-        unit (str | sc.Unit): Unit of the parameters. Defaults to "meV".
-        display_name (str | None): Name of the component.
-        unique_name (str | None): Unique name of the component. If None,
-            a unique_name is automatically generated.
-
-    Attributes:
-        area (Parameter): Area of the Lorentzian.
-        center (Parameter): Center of the Lorentzian.
-        width (Parameter): Half width at half maximum (HWHM) of the
-            Lorentzian.
-        unit (str | sc.Unit): Unit of the parameters.
-        display_name (str | None): Name of the component.
-        unique_name (str | None): Unique name of the component.
     """
 
     def __init__(
@@ -52,27 +32,22 @@ def __init__(
         area: Numeric | Parameter = 1.0,
         center: Numeric | Parameter | None = None,
         width: Numeric | Parameter = 1.0,
-        unit: str | sc.Unit = 'meV',
-        display_name: str | None = 'Lorentzian',
+        unit: str | sc.Unit = "meV",
+        display_name: str | None = "Lorentzian",
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Lorentzian component.
 
         Args:
-            area (Int | float | Parameter): Area of the Lorentzian.
-            center (Int | float | None | Parameter): Center of the
-                Lorentzian. If None, defaults to 0 and is fixed
-            width (Int | float | Parameter): Half width at half maximum
+            area (Numeric | Parameter, default=1.0): Area of the Lorentzian.
+            center (Numeric | Parameter | None, default=None): Center of the
+                Lorentzian. If None, defaults to 0 and is fixed.
+            width (Numeric | Parameter, default=1.0): Half width at half maximum
                 (HWHM).
-            unit (str | sc.Unit): Unit of the parameters. Defaults to
-                "meV".
-            display_name (str | None): Name of the component.
-            unique_name (str | None): Unique name of the component. If
+            unit (str | sc.Unit, default='meV'): Unit of the parameters.
+            display_name (str | None, default='Lorentzian'): Name of the component.
+            unique_name (str | None, default=None): Unique name of the component. If
                 None, a unique_name is automatically generated.
-
-        Raises:
-            TypeError: If any of the parameters are of the wrong type.
-            ValueError: If width is not positive.
         """
 
         super().__init__(
@@ -82,11 +57,15 @@ def __init__(
         )
 
         # These methods live in ValidationMixin
-        area = self._create_area_parameter(area=area, name=display_name, unit=self._unit)
+        area = self._create_area_parameter(
+            area=area, name=display_name, unit=self._unit
+        )
         center = self._create_center_parameter(
             center=center, name=display_name, fix_if_none=True, unit=self._unit
         )
-        width = self._create_width_parameter(width=width, name=display_name, unit=self._unit)
+        width = self._create_width_parameter(
+            width=width, name=display_name, unit=self._unit
+        )
 
         self._area = area
         self._center = center
@@ -112,7 +91,7 @@ def area(self, value: Numeric) -> None:
             TypeError: If the value is not a number.
         """
         if not isinstance(value, Numeric):
-            raise TypeError('area must be a number')
+            raise TypeError("area must be a number")
         self._area.value = value
 
     @property
@@ -140,7 +119,7 @@ def center(self, value: Numeric | None) -> None:
             value = 0.0
             self._center.fixed = True
         if not isinstance(value, Numeric):
-            raise TypeError('center must be a number')
+            raise TypeError("center must be a number")
         self._center.value = value
 
     @property
@@ -157,21 +136,23 @@ def width(self, value: Numeric) -> None:
         """Set the width parameter value (HWHM).
 
         Args:
-            value (Numeric | None): The new value for the width
-            parameter.
+            value (Numeric): The new value for the width
+                parameter.
 
         Raises:
-            TypeError: If the value is not a number or None.
+            TypeError: If the value is not a number.
             ValueError: If the value is not positive.
         """
         if not isinstance(value, Numeric):
-            raise TypeError('width must be a number')
+            raise TypeError("width must be a number")
 
         if float(value) <= 0:
-            raise ValueError('width must be positive')
+            raise ValueError("width must be positive")
         self._width.value = value
 
-    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
+    def evaluate(
+        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
+    ) -> np.ndarray:
         r"""Evaluate the Lorentzian at the given x values.
 
         If x is a scipp Variable, the unit of the Lorentzian will be
@@ -186,7 +167,7 @@ def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray)
         the half width at half maximum (HWHM).
 
         Args:
-            x (Numeric or list or np.ndarray or sc.Variable or sc.DataArray):
+            x (Numeric | list | np.ndarray | sc.Variable | sc.DataArray):
                 The x values at which to evaluate the Lorentzian.
 
         Returns:
@@ -207,5 +188,5 @@ def __repr__(self) -> str:
         Returns:
             str: A string representation of the Lorentzian.
         """
-        return f'Lorentzian(unique_name = {self.unique_name}, unit = {self._unit},\n \
-            area = {self.area},\n center = {self.center},\n width = {self.width})'
+        return f"Lorentzian(unique_name = {self.unique_name}, unit = {self._unit},\n \
+            area = {self.area},\n center = {self.center},\n width = {self.width})"

From 6b32460de608e4debd869ac85619ab57f57419e1 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sun, 15 Mar 2026 19:59:45 +0100
Subject: [PATCH 18/31] gaussian

---
 .../sample_model/components/gaussian.py       | 74 +++++++------------
 1 file changed, 26 insertions(+), 48 deletions(-)

diff --git a/src/easydynamics/sample_model/components/gaussian.py b/src/easydynamics/sample_model/components/gaussian.py
index cfc83c16a..8216586f0 100644
--- a/src/easydynamics/sample_model/components/gaussian.py
+++ b/src/easydynamics/sample_model/components/gaussian.py
@@ -31,25 +31,6 @@ class Gaussian(CreateParametersMixin, ModelComponent):
 
     If the center is not provided, it will be centered at 0 and
     fixed, which is typically what you want in QENS.
-
-     Args:
-         area (Int | float | Parameter | None): Area of the Gaussian.
-         center (Int | float | Parameter | None): Center of the
-            Gaussian. If None, defaults to 0 and is fixed.
-         width (Int | float | Parameter | None): Standard deviation.
-         unit (str | sc.Unit): Unit of the parameters. Defaults to
-             "meV".
-         display_name (str | None): Name of the component.
-         unique_name (str | None): Unique name of the component. if
-            None, a unique_name is automatically generated.
-
-     Attributes:
-         area (Parameter): Area of the Gaussian.
-         center (Parameter): Center of the Gaussian.
-         width (Parameter): Standard deviation of the Gaussian.
-         unit (str | sc.Unit): Unit of the parameters.
-         display_name (str | None): Name of the component.
-         unique_name (str | None): Unique name of the component.
     """
 
     def __init__(
@@ -57,28 +38,21 @@ def __init__(
         area: Numeric | Parameter = 1.0,
         center: Numeric | Parameter | None = None,
         width: Numeric | Parameter = 1.0,
-        unit: str | sc.Unit = 'meV',
-        display_name: str | None = 'Gaussian',
+        unit: str | sc.Unit = "meV",
+        display_name: str | None = "Gaussian",
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Gaussian component.
 
         Args:
-            area (Int | float | Parameter | None): Area of the Gaussian.
-            center (Int | float | Parameter | None): Center of the
+            area (Numeric | Parameter, default=1.0): Area of the Gaussian.
+            center (Numeric | Parameter | None, default=None): Center of the
                 Gaussian. If None, defaults to 0 and is fixed.
-            width (Int | float | Parameter | None): Standard deviation.
-            unit (str | sc.Unit): Unit of the parameters. Defaults to
-                "meV".
-            display_name (str | None): Name of the component.
-            unique_name (str | None): Unique name of the component. if
-                None, a unique_name is automatically generated.
-
-        Raises:
-            TypeError: If area, center, or width are not numbers or
-                Parameters.
-            ValueError: If width is not positive.
-            TypeError: If unit is not a string or sc.Unit.
+            width (Numeric | Parameter, default=1.0): Standard deviation.
+            unit (str | sc.Unit, default='meV'): Unit of the parameters.
+            display_name (str | None, default='Gaussian'): Name of the component.
+            unique_name (str | None, default=None): Unique name of the component.
+                if None, a unique_name is automatically generated.
         """
         # Validate inputs and create Parameters if not given
         super().__init__(
@@ -88,11 +62,15 @@ def __init__(
         )
 
         # These methods live in ValidationMixin
-        area = self._create_area_parameter(area=area, name=display_name, unit=self._unit)
+        area = self._create_area_parameter(
+            area=area, name=display_name, unit=self._unit
+        )
         center = self._create_center_parameter(
             center=center, name=display_name, fix_if_none=True, unit=self._unit
         )
-        width = self._create_width_parameter(width=width, name=display_name, unit=self._unit)
+        width = self._create_width_parameter(
+            width=width, name=display_name, unit=self._unit
+        )
 
         self._area = area
         self._center = center
@@ -120,7 +98,7 @@ def area(self, value: Numeric) -> None:
         """
 
         if not isinstance(value, Numeric):
-            raise TypeError('area must be a number')
+            raise TypeError("area must be a number")
         self._area.value = value
 
     @property
@@ -134,12 +112,12 @@ def center(self) -> Parameter:
         return self._center
 
     @center.setter
-    def center(self, value: Numeric) -> None:
+    def center(self, value: Numeric | None) -> None:
         """Set the center parameter value.
 
         Args:
             value (Numeric | None): The new value for the center
-            parameter. If None, defaults to 0 and is fixed.
+                parameter. If None, defaults to 0 and is fixed.
 
         Raises:
             TypeError: If the value is not a number or None.
@@ -149,7 +127,7 @@ def center(self, value: Numeric) -> None:
             value = 0.0
             self._center.fixed = True
         if not isinstance(value, Numeric):
-            raise TypeError('center must be a number')
+            raise TypeError("center must be a number")
         self._center.value = value
 
     @property
@@ -166,18 +144,18 @@ def width(self, value: Numeric) -> None:
         """Set the width parameter value.
 
         Args:
-            value (Numeric | None): The new value for the width
-            parameter.
+            value (Numeric): The new value for the width
+                parameter.
 
         Raises:
             TypeError: If the value is not a number or None.
             ValueError: If the value is not positive.
         """
         if not isinstance(value, Numeric):
-            raise TypeError('width must be a number')
+            raise TypeError("width must be a number")
 
         if float(value) <= 0:
-            raise ValueError('width must be positive')
+            raise ValueError("width must be positive")
 
         self._width.value = value
 
@@ -203,7 +181,7 @@ def evaluate(
 
 
         Args:
-            x (Numeric or list or np.ndarray or sc.Variable or sc.DataArray):
+            x (Numeric | list | np.ndarray | sc.Variable | sc.DataArray):
                 The x values at which to evaluate the Gaussian.
 
         Returns:
@@ -225,5 +203,5 @@ def __repr__(self) -> str:
             str: A string representation of the Gaussian.
         """
 
-        return f'Gaussian(unique_name = {self.unique_name}, unit = {self._unit},\n \
-            area = {self.area},\n center = {self.center},\n width = {self.width})'
+        return f"Gaussian(unique_name = {self.unique_name}, unit = {self._unit},\n \
+            area = {self.area},\n center = {self.center},\n width = {self.width})"

From 41d84090a1f1ca56ef53502b56ccd371240acbe8 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sun, 15 Mar 2026 20:08:26 +0100
Subject: [PATCH 19/31] exponential

---
 .../sample_model/components/exponential.py    | 95 +++++++++----------
 1 file changed, 43 insertions(+), 52 deletions(-)

diff --git a/src/easydynamics/sample_model/components/exponential.py b/src/easydynamics/sample_model/components/exponential.py
index 2f9e41ad8..f7c30b91e 100644
--- a/src/easydynamics/sample_model/components/exponential.py
+++ b/src/easydynamics/sample_model/components/exponential.py
@@ -24,27 +24,6 @@ class Exponential(CreateParametersMixin, ModelComponent):
 
     where $A$ is the amplitude, $x_0$ is the center, and $B$ describes
     the rate of decay or growth.
-
-
-    Args:
-        amplitude (Int | float | Parameter | None): Amplitude of the
-           exponential.
-        center (Int | float | Parameter | None): Center of the
-            exponential.
-        rate (Int | float | Parameter | None): Decay or growth constant
-        unit (str | sc.Unit): Unit of the parameters. Defaults to
-            "meV".
-        display_name (str | None): Name of the component.
-        unique_name (str | None): Unique name of the component. if
-           None, a unique_name is automatically generated.
-
-    Attributes:
-        amplitude (Parameter): Amplitude of the exponential.
-        center (Parameter): Center of the exponential.
-        rate (Parameter): Decay or growth constant of the exponential.
-        unit (str | sc.Unit): Unit of the parameters.
-        display_name (str | None): Name of the component.
-        unique_name (str | None): Unique name of the component.
     """
 
     def __init__(
@@ -52,28 +31,27 @@ def __init__(
         amplitude: Numeric | Parameter = 1.0,
         center: Numeric | Parameter | None = None,
         rate: Numeric | Parameter = 1.0,
-        unit: str | sc.Unit = 'meV',
-        display_name: str | None = 'Exponential',
+        unit: str | sc.Unit = "meV",
+        display_name: str | None = "Exponential",
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Exponential component.
 
         Args:
-            amplitude (Int | float | Parameter | None): Amplitude of the
+            amplitude (Numeric | Parameter, default=1.0): Amplitude of the
                 Exponential.
-            center (Int | float | Parameter): Center of the Exponential.
-            rate (Int | float | Parameter | None): Decay or growth
+            center (Numeric | Parameter | None, default=None): Center of the Exponential.
+            rate (Numeric | Parameter, default=1.0): Decay or growth
                 constant of the Exponential.
-            unit (str | sc.Unit): Unit of the parameters. Defaults to
-                "meV".
-            display_name (str | None): Name of the component.
-            unique_name (str | None): Unique name of the component. if
+            unit (str | sc.Unit, default='meV'): Unit of the parameters.
+            display_name (str | None, default='Exponential'): Name of the component.
+            unique_name (str | None, default=None): Unique name of the component. if
                 None, a unique_name is automatically generated.
 
         Raises:
             TypeError: If amplitude, center, or rate are not numbers or
                 Parameters.
-            TypeError: If unit is not a string or sc.Unit.
+            ValueError: If amplitude, center or rate are not finite numbers
         """
         # Validate inputs and create Parameters if not given
         super().__init__(
@@ -83,14 +61,14 @@ def __init__(
         )
 
         if not isinstance(amplitude, (Parameter, Numeric)):
-            raise TypeError('amplitude must be a number or a Parameter.')
+            raise TypeError("amplitude must be a number or a Parameter.")
 
         if isinstance(amplitude, Numeric):
             if not np.isfinite(amplitude):
-                raise ValueError('amplitude must be a finite number or a Parameter')
+                raise ValueError("amplitude must be a finite number or a Parameter")
 
             amplitude = Parameter(
-                name=display_name + ' amplitude', value=float(amplitude), unit=unit
+                name=display_name + " amplitude", value=float(amplitude), unit=unit
             )
 
         center = self._create_center_parameter(
@@ -98,13 +76,15 @@ def __init__(
         )
 
         if not isinstance(rate, (Parameter, Numeric)):
-            raise TypeError('rate must be a number or a Parameter.')
+            raise TypeError("rate must be a number or a Parameter.")
 
         if isinstance(rate, Numeric):
             if not np.isfinite(rate):
-                raise ValueError('rate must be a finite number or a Parameter')
+                raise ValueError("rate must be a finite number or a Parameter")
 
-            rate = Parameter(name=display_name + ' rate', value=float(rate), unit='1/' + str(unit))
+            rate = Parameter(
+                name=display_name + " rate", value=float(rate), unit="1/" + str(unit)
+            )
 
         self._amplitude = amplitude
         self._center = center
@@ -132,7 +112,7 @@ def amplitude(self, value: Numeric) -> None:
         """
 
         if not isinstance(value, Numeric):
-            raise TypeError('amplitude must be a number')
+            raise TypeError("amplitude must be a number")
         self._amplitude.value = value
 
     @property
@@ -146,19 +126,23 @@ def center(self) -> Parameter:
         return self._center
 
     @center.setter
-    def center(self, value: Numeric) -> None:
+    def center(self, value: Numeric | None) -> None:
         """Set the center parameter value.
 
         Args:
-            value (Numeric): The new value for the center
-            parameter.
+            value (Numeric | None): The new value for the center
+                parameter.
 
         Raises:
             TypeError: If the value is not a number.
         """
 
+        if value is None:
+            value = 0.0
+            self._center.fixed = True
+
         if not isinstance(value, Numeric):
-            raise TypeError('center must be a number')
+            raise TypeError("center must be a number")
         self._center.value = value
 
     @property
@@ -175,14 +159,14 @@ def rate(self, value: Numeric) -> None:
         """Set the rate parameter value.
 
         Args:
-            value (Numeric | None): The new value for the rate
-            parameter.
+            value (Numeric): The new value for the rate
+                parameter.
 
         Raises:
-            TypeError: If the value is not a number or None.
+            TypeError: If the value is not a number.
         """
         if not isinstance(value, Numeric):
-            raise TypeError('rate must be a number')
+            raise TypeError("rate must be a number")
 
         self._rate.value = value
 
@@ -203,7 +187,7 @@ def evaluate(
         rate.
 
         Args:
-            x (Numeric or list or np.ndarray or sc.Variable or sc.DataArray):
+            x (Numeric | list | np.ndarray | sc.Variable | sc.DataArray):
                 The x values at which to evaluate the Exponential.
 
         Returns:
@@ -220,22 +204,29 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
         """Convert the unit of the Parameters in the component.
 
         Args:
-            unit (str or sc.Unit): The new unit to convert to.
+            unit (str | sc.Unit): The new unit to convert to.
+
+        Raises:
+            TypeError: If unit is not a string or sc.Unit.
+            Exception: If conversion fails for any parameter.
         """
 
+        if not isinstance(unit, (str, sc.Unit)):
+            raise TypeError("unit must be a string or sc.Unit")
+
         old_unit = self._unit
         pars = [self.amplitude, self.center]
         try:
             for p in pars:
                 p.convert_unit(unit)
-            self.rate.convert_unit('1/' + str(unit))
+            self.rate.convert_unit("1/" + str(unit))
             self._unit = unit
         except Exception as e:
             # Attempt to rollback on failure
             try:
                 for p in pars:
                     p.convert_unit(old_unit)
-                self.rate.convert_unit('1/' + str(old_unit))
+                self.rate.convert_unit("1/" + str(old_unit))
             except Exception:  # noqa: S110
                 pass  # Best effort rollback
             raise e
@@ -247,5 +238,5 @@ def __repr__(self) -> str:
             str: A string representation of the Exponential.
         """
 
-        return f'Exponential(unique_name = {self.unique_name}, unit = {self._unit},\n \
-            amplitude = {self.amplitude},\n center = {self.center},\n rate = {self.rate})'
+        return f"Exponential(unique_name = {self.unique_name}, unit = {self._unit},\n \
+            amplitude = {self.amplitude},\n center = {self.center},\n rate = {self.rate})"

From 2523d96130f4ede5db8083e20f0861999e9ac21f Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sun, 15 Mar 2026 20:10:52 +0100
Subject: [PATCH 20/31] delta function

---
 .../sample_model/components/delta_function.py | 57 +++++++------------
 1 file changed, 19 insertions(+), 38 deletions(-)

diff --git a/src/easydynamics/sample_model/components/delta_function.py b/src/easydynamics/sample_model/components/delta_function.py
index 11e444f34..08b81c4e7 100644
--- a/src/easydynamics/sample_model/components/delta_function.py
+++ b/src/easydynamics/sample_model/components/delta_function.py
@@ -22,49 +22,26 @@ class DeltaFunction(CreateParametersMixin, ModelComponent):
     as an identity. This is handled by the Convolution method. If the
     center is not provided, it will be centered at 0 and fixed, which is
     typically what you want in QENS.
-
-    Args:
-        center (Int | float | None): Center of the delta function. If
-            None, defaults to 0 and is fixed.
-        area (Int | float): Total area under the curve.
-        unit (str | sc.Unit): Unit of the parameters.
-            Defaults to "meV".
-        display_name (str | None): Name of the component.
-        unique_name (str | None): Unique name of the component.
-            If None, a unique_name is automatically generated.
-
-    Attributes:
-        center (Parameter): Center of the delta function.
-        area (Parameter): Total area under the curve.
-        unit (str | sc.Unit): Unit of the parameters.
-        display_name (str | None): Name of the component.
-        unique_name (str | None): Unique name of the component.
     """
 
     def __init__(
         self,
-        center: None | Numeric | Parameter = None,
+        center: Numeric | Parameter | None = None,
         area: Numeric | Parameter = 1.0,
-        unit: str | sc.Unit = 'meV',
-        display_name: str | None = 'DeltaFunction',
+        unit: str | sc.Unit = "meV",
+        display_name: str | None = "DeltaFunction",
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Delta function.
 
         Args:
-            center (Int | float | None): Center of the delta function.
+            center (Numeric | Parameter | None, default=None): Center of the delta function.
                 If None, defaults to 0 and is fixed.
-            area (Int | float): Total area under the curve.
-            unit (str | sc.Unit): Unit of the parameters.
-                Defaults to "meV".
-            display_name (str | None): Name of the component.
-            unique_name (str | None): Unique name of the component.
+            area (Numeric | Parameter, default=1.0): Total area under the curve.
+            unit (str | sc.Unit, default='meV'): Unit of the parameters.
+            display_name (str | None, default='DeltaFunction'): Name of the component.
+            unique_name (str | None, default=None): Unique name of the component.
                 If None, a unique_name is automatically generated.
-
-        Raises:
-            TypeError: If center is not a number or None.
-            TypeError: If area is not a number.
-            TypeError: If unit is not a string or sc.Unit.
         """
         # Validate inputs and create Parameters if not given
         super().__init__(
@@ -74,7 +51,9 @@ def __init__(
         )
 
         # These methods live in ValidationMixin
-        area = self._create_area_parameter(area=area, name=display_name, unit=self._unit)
+        area = self._create_area_parameter(
+            area=area, name=display_name, unit=self._unit
+        )
         center = self._create_center_parameter(
             center=center, name=display_name, fix_if_none=True, unit=self._unit
         )
@@ -104,7 +83,7 @@ def area(self, value: Numeric) -> None:
         """
 
         if not isinstance(value, Numeric):
-            raise TypeError('area must be a number')
+            raise TypeError("area must be a number")
         self._area.value = value
 
     @property
@@ -123,7 +102,7 @@ def center(self, value: Numeric | None) -> None:
 
         Args:
             value (Numeric | None): The new value for the center
-            parameter. If None, defaults to 0 and is fixed.
+                parameter. If None, defaults to 0 and is fixed.
 
         Raises:
             TypeError: If the value is not a number or None.
@@ -133,10 +112,12 @@ def center(self, value: Numeric | None) -> None:
             value = 0.0
             self._center.fixed = True
         if not isinstance(value, Numeric):
-            raise TypeError('center must be a number')
+            raise TypeError("center must be a number")
         self._center.value = value
 
-    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
+    def evaluate(
+        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
+    ) -> np.ndarray:
         """Evaluate the Delta function at the given x values.
 
         The Delta function evaluates to zero everywhere, except at the
@@ -188,5 +169,5 @@ def __repr__(self) -> str:
             str: A string representation of the Delta function.
         """
 
-        return f'DeltaFunction(unique_name = {self.unique_name}, unit = {self._unit},\n \
-        area = {self.area},\n center = {self.center}'
+        return f"DeltaFunction(unique_name = {self.unique_name}, unit = {self._unit},\n \
+        area = {self.area},\n center = {self.center}"

From e52139b30a37274322afb58158eac1a9574ec177 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sun, 15 Mar 2026 20:13:48 +0100
Subject: [PATCH 21/31] dho

---
 .../components/damped_harmonic_oscillator.py  | 78 +++++++------------
 1 file changed, 28 insertions(+), 50 deletions(-)

diff --git a/src/easydynamics/sample_model/components/damped_harmonic_oscillator.py b/src/easydynamics/sample_model/components/damped_harmonic_oscillator.py
index ce4a08fb1..65679b534 100644
--- a/src/easydynamics/sample_model/components/damped_harmonic_oscillator.py
+++ b/src/easydynamics/sample_model/components/damped_harmonic_oscillator.py
@@ -23,29 +23,6 @@ class DampedHarmonicOscillator(CreateParametersMixin, ModelComponent):
     $$
     where $A$ is the area, $x_0$ is the center, and $\gamma$ is the
     width.
-
-
-    Args:
-        area (Int | float): Area under the curve.
-        center (Int | float): Resonance frequency, approximately the
-            peak position.
-        width (Int | float): Damping constant, approximately the
-            half width at half max (HWHM) of the peaks.
-        unit (str | sc.Unit): Unit of the parameters.
-            Defaults to "meV".
-        display_name (str | None): Display name of the component.
-        unique_name (str | None): Unique name of the component.
-            If None, a unique_name is automatically generated.
-
-    Attributes:
-        area (Parameter): Area under the curve.
-        center (Parameter): Resonance frequency, approximately the
-            peak position.
-        width (Parameter): Damping constant, approximately the
-            half width at half max (HWHM) of the peaks.
-        unit (str | sc.Unit): Unit of the parameters.
-        display_name (str | None): Display name of the component.
-        unique_name (str | None): Unique name of the component.
     """
 
     def __init__(
@@ -53,28 +30,23 @@ def __init__(
         area: Numeric | Parameter = 1.0,
         center: Numeric | Parameter = 1.0,
         width: Numeric | Parameter = 1.0,
-        unit: str | sc.Unit = 'meV',
-        display_name: str | None = 'DampedHarmonicOscillator',
+        unit: str | sc.Unit = "meV",
+        display_name: str | None = "DampedHarmonicOscillator",
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Damped Harmonic Oscillator.
 
         Args:
-            area (Int | float): Area under the curve.
-            center (Int | float): Resonance frequency, approximately the
+            area (Numeric | Parameter, default=1.0): Area under the curve.
+            center (Numeric | Parameter, default=1.0): Resonance frequency, approximately the
                 peak position.
-            width (Int | float): Damping constant, approximately the
+            width (Numeric | Parameter, default=1.0): Damping constant, approximately the
                 half width at half max (HWHM) of the peaks.
-            unit (str | sc.Unit): Unit of the parameters.
-                Defaults to "meV".
-            display_name (str | None): Display name of the component.
-            unique_name (str | None): Unique name of the component.
+            unit (str | sc.Unit, default='meV'): Unit of the parameters.
+            display_name (str | None, default='DampedHarmonicOscillator'):
+                Display name of the component.
+            unique_name (str | None, default=None): Unique name of the component.
                 If None, a unique_name is automatically generated.
-
-        Raises:
-            TypeError: If any of the parameters are not numbers or
-                Parameters.
-            ValueError: If center or width are not positive.
         """
 
         super().__init__(
@@ -84,7 +56,9 @@ def __init__(
         )
 
         # These methods live in ValidationMixin
-        area = self._create_area_parameter(area=area, name=display_name, unit=self._unit)
+        area = self._create_area_parameter(
+            area=area, name=display_name, unit=self._unit
+        )
         center = self._create_center_parameter(
             center=center,
             name=display_name,
@@ -93,7 +67,9 @@ def __init__(
             enforce_minimum_center=True,
         )
 
-        width = self._create_width_parameter(width=width, name=display_name, unit=self._unit)
+        width = self._create_width_parameter(
+            width=width, name=display_name, unit=self._unit
+        )
 
         self._area = area
         self._center = center
@@ -119,7 +95,7 @@ def area(self, value: Numeric) -> None:
             TypeError: If the value is not a number.
         """
         if not isinstance(value, Numeric):
-            raise TypeError('area must be a number')
+            raise TypeError("area must be a number")
         self._area.value = value
 
     @property
@@ -143,10 +119,10 @@ def center(self, value: Numeric) -> None:
             ValueError: If the value is not positive.
         """
         if not isinstance(value, Numeric):
-            raise TypeError('center must be a number')
+            raise TypeError("center must be a number")
 
         if float(value) <= 0:
-            raise ValueError('center must be positive')
+            raise ValueError("center must be positive")
         self._center.value = value
 
     @property
@@ -170,14 +146,16 @@ def width(self, value: Numeric) -> None:
             ValueError: If the value is not positive.
         """
         if not isinstance(value, Numeric):
-            raise TypeError('width must be a number')
+            raise TypeError("width must be a number")
 
         if float(value) <= 0:
-            raise ValueError('width must be positive')
+            raise ValueError("width must be positive")
 
         self._width.value = value
 
-    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
+    def evaluate(
+        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
+    ) -> np.ndarray:
         r"""Evaluate the Damped Harmonic Oscillator at the given x
         values.
 
@@ -202,7 +180,9 @@ def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray)
 
         normalization = 2 * self.center.value**2 * self.width.value / np.pi
         # No division by zero here, width>0 enforced in setter
-        denominator = (x**2 - self.center.value**2) ** 2 + (2 * self.width.value * x) ** 2
+        denominator = (x**2 - self.center.value**2) ** 2 + (
+            2 * self.width.value * x
+        ) ** 2
 
         return self.area.value * normalization / (denominator)
 
@@ -214,7 +194,5 @@ def __repr__(self) -> str:
             str: A string representation of the Damped Harmonic
                 Oscillator.
         """
-        return (
-            f'DampedHarmonicOscillator(display_name = {self.display_name}, unit = {self._unit},\n \
-        area = {self.area},\n center = {self.center},\n width = {self.width})'
-        )
+        return f"DampedHarmonicOscillator(display_name = {self.display_name}, unit = {self._unit},\n \
+        area = {self.area},\n center = {self.center},\n width = {self.width})"

From 81f67a1277799a0f947d93206d410b09dfa5afa2 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sun, 15 Mar 2026 20:29:12 +0100
Subject: [PATCH 22/31] component collection

---
 .../sample_model/component_collection.py      | 184 ++++++++++--------
 .../components/model_component.py             |   5 +
 2 files changed, 113 insertions(+), 76 deletions(-)

diff --git a/src/easydynamics/sample_model/component_collection.py b/src/easydynamics/sample_model/component_collection.py
index 4b90f85cf..42a8ec660 100644
--- a/src/easydynamics/sample_model/component_collection.py
+++ b/src/easydynamics/sample_model/component_collection.py
@@ -20,53 +20,36 @@
 class ComponentCollection(ModelBase):
     """Collection of model components representing a sample, background
     or resolution model.
-
-    Args:
-        unit (str | sc.Unit): Unit of the sample model. Defaults to
-            "meV".
-        display_name (str): Display name of the sample model.
-        unique_name (str | None): Unique name of the sample model.
-            If None, a unique_name is automatically generated.
-        components (List[ModelComponent] | None): Initial model
-            components to add to the ComponentCollection.
-
-    Attributes:
-        components (List[ModelComponent]): List of model components in
-            the collection.
-        unit (str | sc.Unit): Unit of the sample model.
-        display_name (str): Display name of the sample model.
-        unique_name (str): Unique name of the sample model.
     """
 
     def __init__(
         self,
-        unit: str | sc.Unit = 'meV',
-        display_name: str = 'MyComponentCollection',
+        unit: str | sc.Unit = "meV",
+        display_name: str | None = "MyComponentCollection",
         unique_name: str | None = None,
-        components: List[ModelComponent] | None = None,
+        components: list[ModelComponent] | None = None,
     ) -> None:
         """Initialize a new ComponentCollection.
 
         Args:
-        unit (str | sc.Unit | None): Unit of the sample model.
-            Defaults to "meV".
-        display_name (str | None): Display name of the sample model.
-        unique_name (str | None): Unique name of the sample model.
-            Defaults to None.
-        components (List[ModelComponent] | None): Initial model
-            components to add to the ComponentCollection.
+            unit (str | sc.Unit, default='meV'): Unit of the collection.
+            display_name (str | None, default="MyComponentCollection"): Display
+                name of the collection
+            unique_name (str | None, default=None): Unique name of the collection
+                Defaults to None.
+            components (list[ModelComponent] | None, default=None): Initial model
+                components to add to the ComponentCollection.
 
         Raises:
             TypeError: If unit is not a string or sc.Unit,
                 or if components is not a list of ModelComponent.
-            ValueError: If components contains duplicate unique names.
         """
 
         super().__init__(display_name=display_name, unique_name=unique_name)
 
         if unit is not None and not isinstance(unit, (str, sc.Unit)):
             raise TypeError(
-                f'unit must be None, a string, or a scipp Unit, got {type(unit).__name__}'
+                f"unit must be None, a string, or a scipp Unit, got {type(unit).__name__}"
             )
         self._unit = unit
         self._components = []
@@ -74,7 +57,9 @@ def __init__(
         # Add initial components if provided. Used for serialization.
         if components is not None:
             if not isinstance(components, list):
-                raise TypeError('components must be a list of ModelComponent instances.')
+                raise TypeError(
+                    "components must be a list of ModelComponent instances."
+                )
             for comp in components:
                 self.append_component(comp)
 
@@ -87,17 +72,17 @@ def components(self) -> list[ModelComponent]:
         """Get the list of components in the collection.
 
         Returns:
-            List[ModelComponent]: The components in the collection.
+            list[ModelComponent]: The components in the collection.
         """
 
         return list(self._components)
 
     @components.setter
-    def components(self, components: List[ModelComponent]) -> None:
+    def components(self, components: list[ModelComponent]) -> None:
         """Set the list of components in the collection.
 
         Args:
-            components (List[ModelComponent]): The new list of
+            components (list[ModelComponent]): The new list of
                 components.
 
         Raises:
@@ -105,12 +90,12 @@ def components(self, components: List[ModelComponent]) -> None:
         """
 
         if not isinstance(components, list):
-            raise TypeError('components must be a list of ModelComponent instances.')
+            raise TypeError("components must be a list of ModelComponent instances.")
         for comp in components:
             if not isinstance(comp, ModelComponent):
                 raise TypeError(
-                    'All items in components must be instances of ModelComponent. '
-                    f'Got {type(comp).__name__} instead.'
+                    "All items in components must be instances of ModelComponent. "
+                    f"Got {type(comp).__name__} instead."
                 )
 
         self._components = components
@@ -137,8 +122,8 @@ def is_empty(self, value: bool) -> None:
             AttributeError: Always raised since is_empty is read-only.
         """
         raise AttributeError(
-            'is_empty is a read-only property that indicates '
-            'whether the collection has components.'
+            "is_empty is a read-only property that indicates "
+            "whether the collection has components."
         )
 
     @property
@@ -147,7 +132,7 @@ def unit(self) -> str | sc.Unit | None:
 
         Returns:
             str | sc.Unit | None: The unit of the ComponentCollection,
-            which is the same as the unit of its components.
+                which is the same as the unit of its components.
         """
         return self._unit
 
@@ -164,8 +149,8 @@ def unit(self, unit_str: str) -> None:
 
         raise AttributeError(
             (
-                f'Unit is read-only. Use convert_unit to change the unit between allowed types '
-                f'or create a new {self.__class__.__name__} with the desired unit.'
+                f"Unit is read-only. Use convert_unit to change the unit between allowed types "
+                f"or create a new {self.__class__.__name__} with the desired unit."
             )
         )  # noqa: E501
 
@@ -178,10 +163,15 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
 
         Raises:
             TypeError: If unit is not a string or sc.Unit.
-            UnitError: If any component cannot be converted to the
+            Exception: If any component cannot be converted to the
                 specified unit.
         """
 
+        if not isinstance(unit, (str, sc.Unit)):
+            raise TypeError(
+                f"Unit must be a string or sc.Unit, got {type(unit).__name__}"
+            )
+
         old_unit = self._unit
 
         try:
@@ -201,14 +191,16 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
     # Component management
     # ------------------------------------------------------------------
 
-    def append_component(self, component: ModelComponent | 'ComponentCollection') -> None:
+    def append_component(
+        self, component: ModelComponent | "ComponentCollection"
+    ) -> None:
         """Append a model component or the components from another
         ComponentCollection to this ComponentCollection.
 
         Args:
-        component (ModelComponent | ComponentCollection): The component
-            to append. If a ComponentCollection is provided, all of its
-            components will be appended.
+            component (ModelComponent | "ComponentCollection"): The component
+                to append. If a ComponentCollection is provided, all of its
+                components will be appended.
 
         Raises:
             TypeError: If component is not a ModelComponent or
@@ -218,8 +210,8 @@ def append_component(self, component: ModelComponent | 'ComponentCollection') ->
         """
         if not isinstance(component, (ModelComponent, ComponentCollection)):
             raise TypeError(
-                'Component must be an instance of ModelComponent or ComponentCollection. '
-                f'Got {type(component).__name__} instead.'
+                "Component must be an instance of ModelComponent or ComponentCollection. "
+                f"Got {type(component).__name__} instead."
             )
         if isinstance(component, ModelComponent):
             components = (component,)
@@ -230,7 +222,7 @@ def append_component(self, component: ModelComponent | 'ComponentCollection') ->
             if comp in self._components:
                 raise ValueError(
                     f"Component '{comp.unique_name}' is already in the collection. "
-                    f'Existing components: {self.list_component_names()}'
+                    f"Existing components: {self.list_component_names()}"
                 )
 
             self._components.append(comp)
@@ -240,6 +232,7 @@ def remove_component(self, unique_name: str) -> None:
 
         Args:
             unique_name (str): Unique name of the component to remove.
+
         Raises:
             TypeError: If unique_name is not a string.
             KeyError: If no component with the given unique name exists
@@ -247,7 +240,7 @@ def remove_component(self, unique_name: str) -> None:
         """
 
         if not isinstance(unique_name, str):
-            raise TypeError('Component name must be a string.')
+            raise TypeError("Component name must be a string.")
 
         for comp in self._components:
             if comp.unique_name == unique_name:
@@ -256,36 +249,65 @@ def remove_component(self, unique_name: str) -> None:
 
         raise KeyError(
             f"No component named '{unique_name}' exists. "
-            f'Did you accidentally use the display_name? '
-            f'Here is a list of the components in the collection: {self.list_component_names()}'
+            f"Did you accidentally use the display_name? "
+            f"Here is a list of the components in the collection: {self.list_component_names()}"
         )
 
     @property
     def components(self) -> list[ModelComponent]:
+        """Get the list of components in the collection.
+
+        Returns:
+            list[ModelComponent]: The components in the collection.
+        """
         return list(self._components)
 
     @components.setter
-    def components(self, components: List[ModelComponent]) -> None:
+    def components(self, components: list[ModelComponent]) -> None:
+        """
+        Set the components in the collection.
+
+        Args:
+            components (list[ModelComponent]): The new components in the collection
+
+        Raises:
+            TypeError: If components is not a list of ModelComponent
+        """
         if not isinstance(components, list):
-            raise TypeError('components must be a list of ModelComponent instances.')
+            raise TypeError("components must be a list of ModelComponent instances.")
         for comp in components:
             if not isinstance(comp, ModelComponent):
                 raise TypeError(
-                    'All items in components must be instances of ModelComponent. '
-                    f'Got {type(comp).__name__} instead.'
+                    "All items in components must be instances of ModelComponent. "
+                    f"Got {type(comp).__name__} instead."
                 )
 
         self._components = components
 
     @property
     def is_empty(self) -> bool:
+        """
+        Returns True if the collection has no components, otherwise False
+
+        Returns:
+            bool: True if the collection has no components, otherwise False
+        """
         return not self._components
 
     @is_empty.setter
     def is_empty(self, value: bool) -> None:
+        """
+        is_empty is read-only.
+
+        Args:
+            value (bool): ignored.
+
+        Raises:
+            AttributeError: Always raised since is_empty is read-only
+        """
         raise AttributeError(
-            'is_empty is a read-only property that indicates '
-            'whether the collection has components.'
+            "is_empty is a read-only property that indicates "
+            "whether the collection has components."
         )
 
     def list_component_names(self) -> List[str]:
@@ -293,7 +315,7 @@ def list_component_names(self) -> List[str]:
 
         Returns:
             List[str]: List of unique names of the components in the
-            collection.
+                collection.
         """
 
         return [component.unique_name for component in self._components]
@@ -307,32 +329,32 @@ def normalize_area(self) -> None:
         is useful for convolutions.
 
         Raises:
-            ValueError: If there are no components in the model.
-            ValueError: If the total area is zero or not finite, which
+            ValueError: If there are no components in the model or
+                if the total area is zero or not finite, which
                 would prevent normalization.
         """
         if not self.components:
-            raise ValueError('No components in the model to normalize.')
+            raise ValueError("No components in the model to normalize.")
 
         area_params = []
-        total_area = Parameter(name='total_area', value=0.0, unit=self._unit)
+        total_area = Parameter(name="total_area", value=0.0, unit=self._unit)
 
         for component in self.components:
-            if hasattr(component, 'area'):
+            if hasattr(component, "area"):
                 area_params.append(component.area)
                 total_area += component.area
             else:
                 warnings.warn(
                     f"Component '{component.unique_name}' does not have an 'area' attribute "
-                    f'and will be skipped in normalization.',
+                    f"and will be skipped in normalization.",
                     UserWarning,
                 )
 
         if total_area.value == 0:
-            raise ValueError('Total area is zero; cannot normalize.')
+            raise ValueError("Total area is zero; cannot normalize.")
 
         if not np.isfinite(total_area.value):
-            raise ValueError('Total area is not finite; cannot normalize.')
+            raise ValueError("Total area is not finite; cannot normalize.")
 
         for param in area_params:
             param.value /= total_area.value
@@ -345,19 +367,25 @@ def get_all_variables(self) -> list[DescriptorBase]:
         """Get all parameters from the model component.
 
         Returns:
-            List[Parameter]: List of parameters in the component.
+            list[DescriptorBase]: List of parameters in the component.
         """
 
-        return [var for component in self.components for var in component.get_all_variables()]
+        return [
+            var
+            for component in self.components
+            for var in component.get_all_variables()
+        ]
 
-    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
+    def evaluate(
+        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
+    ) -> np.ndarray:
         """Evaluate the sum of all components.
 
         Args:
-            x (Number, list, np.ndarray, sc.Variable, or sc.DataArray):
+            x (Numeric | list | np.ndarray | sc.Variable | sc.DataArray):
                 Energy axis.
 
-        Returns
+        Returns:
             np.ndarray: Evaluated model values.
         """
 
@@ -373,7 +401,7 @@ def evaluate_component(
         """Evaluate a single component by name.
 
         Args:
-            x (Number, list, np.ndarray, sc.Variable, or sc.DataArray):
+            x (Numeric | list | np.ndarray | sc.Variable | sc.DataArray):
                 Energy axis.
             unique_name (str): Component unique name.
 
@@ -386,11 +414,13 @@ def evaluate_component(
                 in the collection.
         """
         if not self.components:
-            raise ValueError('No components in the model to evaluate.')
+            raise ValueError("No components in the model to evaluate.")
 
         if not isinstance(unique_name, str):
             raise TypeError(
-                (f'Component unique name must be a string, got {type(unique_name)} instead.')
+                (
+                    f"Component unique name must be a string, got {type(unique_name)} instead."
+                )
             )
 
         matches = [comp for comp in self.components if comp.unique_name == unique_name]
@@ -422,7 +452,7 @@ def __contains__(self, item: str | ModelComponent) -> bool:
         in the ComponentCollection.
 
         Args:
-            item (str or ModelComponent): The component name or instance
+            item (str | ModelComponent): The component name or instance
                 to check for.
 
         Returns:
@@ -444,6 +474,8 @@ def __repr__(self) -> str:
         Returns:
             str: String representation of the ComponentCollection.
         """
-        comp_names = ', '.join(c.unique_name for c in self.components) or 'No components'
+        comp_names = (
+            ", ".join(c.unique_name for c in self.components) or "No components"
+        )
 
         return f"<ComponentCollection unique_name='{self.unique_name}' | Components: {comp_names}>"
diff --git a/src/easydynamics/sample_model/components/model_component.py b/src/easydynamics/sample_model/components/model_component.py
index 1289773bc..03567f52f 100644
--- a/src/easydynamics/sample_model/components/model_component.py
+++ b/src/easydynamics/sample_model/components/model_component.py
@@ -171,9 +171,14 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
             unit (str | sc.Unit): The new unit to convert to.
 
         Raises:
+            TypeError: If the provided unit is not a str or sc.Unit
             Exception: If the provided unit is invalid or incompatible
                 with the component's parameters.
         """
+        if not isinstance(unit, (str, sc.Unit)):
+            raise TypeError(
+                f"Unit must be a string or sc.Unit, got {type(unit).__name__}"
+            )
 
         old_unit = self._unit
         pars = self.get_all_parameters()

From 2ba2420a48b268f9a4c6e160e8e7224ed8b58fe5 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sun, 15 Mar 2026 20:30:44 +0100
Subject: [PATCH 23/31] background model

---
 .../sample_model/background_model.py          | 37 ++++---------------
 1 file changed, 8 insertions(+), 29 deletions(-)

diff --git a/src/easydynamics/sample_model/background_model.py b/src/easydynamics/sample_model/background_model.py
index 91ced6db1..e2a1adde6 100644
--- a/src/easydynamics/sample_model/background_model.py
+++ b/src/easydynamics/sample_model/background_model.py
@@ -13,49 +13,28 @@
 class BackgroundModel(ModelBase):
     """BackgroundModel represents a model of the background in an
     experiment at various Q.
-
-    Args:
-        display_name (str): Display name of the model.
-        unique_name (str | None): Unique name of the model. If None, a
-            unique name will be generated.
-        unit (str | sc.Unit | None): Unit of the model. Defaults to
-            "meV".
-        components (ModelComponent | ComponentCollection | None):
-            Template components of the model. If None, no components
-            are added. These components are copied into
-            ComponentCollections for each Q value.
-        Q (Q_type | None): Q values for the model. If None, Q is not
-            set.
-
-    Attributes:
-        unit (str | sc.Unit): Unit of the model.
-        components (list[ModelComponent]): List of ModelComponents in
-            the model.
-        Q (np.ndarray | Numeric | list | ArrayLike | sc.Variable | None):
-            Q values of the model.
     """
 
     def __init__(
         self,
-        display_name: str = 'MyBackgroundModel',
+        display_name: str | None = "MyBackgroundModel",
         unique_name: str | None = None,
-        unit: str | sc.Unit = 'meV',
-        components: ComponentCollection | ModelComponent | None = None,
+        unit: str | sc.Unit = "meV",
+        components: ModelComponent | ComponentCollection | None = None,
         Q: Q_type | None = None,
     ) -> None:
         """Initialize the BackgroundModel.
 
         Args:
-            display_name (str): Display name of the model.
-            unique_name (str | None): Unique name of the model. If None,
+            display_name (str | None, default='MyBackgroundModel'): Display name of the model.
+            unique_name (str | None, default=None): Unique name of the model. If None,
                 a unique name will be generated.
-            unit (str | sc.Unit | None): Unit of the model. Defaults to
-                "meV".
-            components (ModelComponent | ComponentCollection | None):
+            unit (str | sc.Unit, default='meV'): Unit of the model.
+            components (ModelComponent | ComponentCollection | None, default=None):
                 Template components of the model. If None, no components
                 are added. These components are copied into
                 ComponentCollections for each Q value.
-            Q (Q_type | None): Q values for the model. If None, Q is not
+            Q (Q_type | None, default=None): Q values for the model. If None, Q is not
                 set.
         """
         super().__init__(

From 105824597f484d90766af2fa901cf4297e71ddcd Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sun, 15 Mar 2026 20:35:04 +0100
Subject: [PATCH 24/31] experiment

---
 src/easydynamics/experiment/experiment.py | 127 ++++++++++------------
 1 file changed, 60 insertions(+), 67 deletions(-)

diff --git a/src/easydynamics/experiment/experiment.py b/src/easydynamics/experiment/experiment.py
index b7d3845bc..2bb351104 100644
--- a/src/easydynamics/experiment/experiment.py
+++ b/src/easydynamics/experiment/experiment.py
@@ -19,43 +19,26 @@ class Experiment(NewBase):
 
     This is a minimal implementation that will be extended in the
     future.
-
-    Args:
-        display_name (str): Display name of the experiment.
-        unique_name (str | None): Unique name of the experiment. If
-            None, a unique name will be generated.
-        data (sc.DataArray | str | None): Dataset associated with the
-            experiment. Can be a sc.DataArray or a filename string to
-            load from. If None, no data is loaded.
-
-    Attributes:
-        data (sc.DataArray | None): Dataset associated with the
-            experiment.
-        binned_data (sc.DataArray | None): Binned dataset associated
-            with the experiment. This is derived from `data` and is
-            updated whenever `data` is set.
     """
 
     def __init__(
         self,
-        display_name: str = 'MyExperiment',
+        display_name: str | None = "MyExperiment",
         unique_name: str | None = None,
         data: sc.DataArray | str | None = None,
     ) -> None:
         """Initialize the Experiment object.
 
         Args:
-            display_name (str): Display name of the experiment.
-            unique_name (str | None): Unique name of the experiment. If
+            display_name (str | None, default="MyExperiment"): Display name of the experiment.
+            unique_name (str | None, default=None): Unique name of the experiment. If
                 None, a unique name will be generated.
-            data (sc.DataArray | str | None): Dataset associated with
+            data (sc.DataArray | str | None, default=None): Dataset associated with
                 the experiment. Can be a sc.DataArray or a filename
                 string to load from. If None, no data is loaded.
 
         Raises:
             TypeError: If data is not a sc.DataArray, a string, or None.
-            ValueError: If the loaded data is missing required
-                coordinates.
         """
         super().__init__(
             display_name=display_name,
@@ -71,7 +54,7 @@ def __init__(
             self._data = data
         else:
             raise TypeError(
-                f'Data must be a sc.DataArray or a filename string, not {type(data).__name__}'
+                f"Data must be a sc.DataArray or a filename string, not {type(data).__name__}"
             )
 
         self._binned_data = (
@@ -102,10 +85,9 @@ def data(self, value: sc.DataArray) -> None:
 
         Raises:
             TypeError: If the value is not a sc.DataArray.
-            ValueError: If the dataset is missing required coordinates.
         """
         if not isinstance(value, sc.DataArray):
-            raise TypeError(f'Data must be a sc.DataArray, not {type(value).__name__}')
+            raise TypeError(f"Data must be a sc.DataArray, not {type(value).__name__}")
         self._validate_coordinates(value)
         self._data = value
         self._binned_data = (
@@ -129,12 +111,14 @@ def binned_data(self, value: sc.DataArray) -> None:
 
         Args:
             value (sc.DataArray): The new binned dataset to associate
-            with this experiment (ignored)
+                with this experiment (ignored)
 
         Raises:
             AttributeError: Always, since binned_data is read-only.
         """
-        raise AttributeError('binned_data is a read-only property. Use rebin() to rebin the data')
+        raise AttributeError(
+            "binned_data is a read-only property. Use rebin() to rebin the data"
+        )
 
     @property
     def Q(self) -> sc.Variable | None:
@@ -146,7 +130,7 @@ def Q(self) -> sc.Variable | None:
         """
         if self._binned_data is None:
             return None
-        return self._binned_data.coords['Q']
+        return self._binned_data.coords["Q"]
 
     @Q.setter
     def Q(self, value: sc.Variable) -> None:
@@ -159,7 +143,7 @@ def Q(self, value: sc.Variable) -> None:
         Raises:
             AttributeError: Always, since Q is read-only.
         """
-        raise AttributeError('Q is a read-only property derived from the data.')
+        raise AttributeError("Q is a read-only property derived from the data.")
 
     @property
     def energy(self) -> sc.Variable | None:
@@ -171,7 +155,7 @@ def energy(self) -> sc.Variable | None:
         """
         if self._binned_data is None:
             return None
-        return self._binned_data.coords['energy']
+        return self._binned_data.coords["energy"]
 
     @energy.setter
     def energy(self, value: sc.Variable) -> None:
@@ -184,7 +168,7 @@ def energy(self, value: sc.Variable) -> None:
         Raises:
             AttributeError: Always, since energy is read-only.
         """
-        raise AttributeError('energy is a read-only property derived from the data.')
+        raise AttributeError("energy is a read-only property derived from the data.")
 
     def get_masked_energy(self, Q_index: int) -> sc.Variable | None:
         """Get the energy values from the dataset, removing points where
@@ -197,6 +181,9 @@ def get_masked_energy(self, Q_index: int) -> sc.Variable | None:
         Returns:
             sc.Variable | None: The masked energy values from the
                 dataset, or None if no data is loaded.
+
+        Raises:
+            IndexError: If Q_index is not a valid index for the Q values.
         """
         if self._binned_data is None:
             return None
@@ -206,12 +193,12 @@ def get_masked_energy(self, Q_index: int) -> sc.Variable | None:
             or Q_index < 0
             or (self.Q is not None and Q_index >= len(self.Q))
         ):
-            raise IndexError('Q_index must be a valid index for the Q values.')
+            raise IndexError("Q_index must be a valid index for the Q values.")
 
-        energy = self._binned_data.coords['energy']
+        energy = self._binned_data.coords["energy"]
         _, _, _, mask = self._extract_x_y_weights_only_finite(Q_index=Q_index)
 
-        mask_var = sc.array(dims=['energy'], values=mask)
+        mask_var = sc.array(dims=["energy"], values=mask)
         masked_energy = energy[mask_var]
         return masked_energy
 
@@ -224,29 +211,27 @@ def load_hdf5(self, filename: str, display_name: str | None = None) -> None:
 
         Args:
             filename (str ): Path to the HDF5 file.
-            display_name (str | None): Optional display name for the
+            display_name (str | None, default=None): Optional display name for the
                 experiment.
 
         Raises:
             TypeError: If filename is not a string or if display_name is
-                not a string or None.
-            ValueError: If the loaded data is missing required
-                coordinates.
+                not a string or None or if the loaded data is not a sc.DataArray.
         """
         if not isinstance(filename, str):
-            raise TypeError(f'Filename must be a string, not {type(filename).__name__}')
+            raise TypeError(f"Filename must be a string, not {type(filename).__name__}")
 
         if display_name is not None:
             if not isinstance(display_name, str):
                 raise TypeError(
-                    f'Display name must be a string, not {type(display_name).__name__}'
+                    f"Display name must be a string, not {type(display_name).__name__}"
                 )
             self.display_name = display_name
 
         loaded_data = sc_load_hdf5(filename)
         if not isinstance(loaded_data, sc.DataArray):
             raise TypeError(
-                f'Loaded data must be a sc.DataArray, not {type(loaded_data).__name__}'
+                f"Loaded data must be a sc.DataArray, not {type(loaded_data).__name__}"
             )
         self._validate_coordinates(loaded_data)
         self.data = loaded_data
@@ -255,7 +240,7 @@ def save_hdf5(self, filename: str | None = None) -> None:
         """Save the dataset to HDF5.
 
         Args:
-            filename (str | None): Path to the output HDF5 file.
+            filename (str | None, default=None): Path to the output HDF5 file.
                 If None, the file will be named after the unique_name of
                 the experiment with a .h5 extension.
 
@@ -265,13 +250,13 @@ def save_hdf5(self, filename: str | None = None) -> None:
         """
 
         if filename is None:
-            filename = f'{self.unique_name}.h5'
+            filename = f"{self.unique_name}.h5"
 
         if not isinstance(filename, str):
-            raise TypeError(f'Filename must be a string, not {type(filename).__name__}')
+            raise TypeError(f"Filename must be a string, not {type(filename).__name__}")
 
         if self._data is None:
-            raise ValueError('No data to save.')
+            raise ValueError("No data to save.")
 
         dir_name = os.path.dirname(filename)
         if dir_name:
@@ -295,36 +280,39 @@ def rebin(self, dimensions: dict[str, int | sc.Variable]) -> None:
         Raises:
             TypeError: If dimensions is not a dictionary or if
                 keys/values are of incorrect types.
+            ValueError: If there is no data to rebin.
             KeyError: If a specified dimension is not in the dataset.
         """
 
         if not isinstance(dimensions, dict):
             raise TypeError(
-                'dimensions must be a dictionary mapping dimension names '
-                'to number of bins or bin values as sc.Variable.'
+                "dimensions must be a dictionary mapping dimension names "
+                "to number of bins or bin values as sc.Variable."
             )
         if self._data is None:
-            raise ValueError('No data to rebin. Please load data first.')
+            raise ValueError("No data to rebin. Please load data first.")
         binned_data = self._data.copy()
         dim_copy = dimensions.copy()
         for dim, value in dim_copy.items():
             if not isinstance(dim, str):
                 raise TypeError(
-                    f'Dimension keys must be strings. Got {type(dim)} for {dim} instead.'
+                    f"Dimension keys must be strings. Got {type(dim)} for {dim} instead."
                 )
             if dim not in self._data.dims:
                 raise KeyError(
                     f"Dimension '{dim}' not a valid dimension for rebinning. "
-                    f'Should be one of {self._data.dims}.'
+                    f"Should be one of {self._data.dims}."
                 )
-            if isinstance(value, float) and value.is_integer():  # I allow eg. 2.0 as well as 2
+            if (
+                isinstance(value, float) and value.is_integer()
+            ):  # I allow eg. 2.0 as well as 2
                 value = int(value)
                 # This line can be removed when scipp resize support
                 # resizing with coordinates
                 dimensions[dim] = value
             if not (isinstance(value, int) or isinstance(value, sc.Variable)):
                 raise TypeError(
-                    f'Dimension values must be integers or sc.Variable. '
+                    f"Dimension values must be integers or sc.Variable. "
                     f"Got {type(value)} for dimension '{dim}' instead."
                 )
             binned_data = binned_data.bin({dim: value})
@@ -337,12 +325,12 @@ def rebin(self, dimensions: dict[str, int | sc.Variable]) -> None:
     # other methods
     ###########
 
-    def plot_data(self, slicer=False, **kwargs) -> None:
+    def plot_data(self, slicer: bool = False, **kwargs: dict) -> None:
         """Plot the dataset using plopp: https://scipp.github.io/plopp/
 
         Args:
-            slicer (bool): If True, use plopp's slicer instead of plot.
-            **kwargs (Any): Additional keyword arguments to pass to plopp.
+            slicer (bool, default=False): If True, use plopp's slicer instead of plot.
+            **kwargs (dict): Additional keyword arguments to pass to plopp.
 
         Raises:
             ValueError: If there is no data to plot.
@@ -350,13 +338,15 @@ def plot_data(self, slicer=False, **kwargs) -> None:
         """
 
         if self._binned_data is None:
-            raise ValueError('No data to plot. Please load data first.')
+            raise ValueError("No data to plot. Please load data first.")
 
         if not _in_notebook():
-            raise RuntimeError('plot_data() can only be used in a Jupyter notebook environment.')
+            raise RuntimeError(
+                "plot_data() can only be used in a Jupyter notebook environment."
+            )
 
         plot_kwargs_defaults = {
-            'title': self.display_name,
+            "title": self.display_name,
         }
         # Overwrite defaults with any user-provided kwargs
         plot_kwargs_defaults.update(kwargs)
@@ -367,7 +357,7 @@ def plot_data(self, slicer=False, **kwargs) -> None:
             )
         else:
             fig = pp.plot(
-                self._binned_data.transpose(dims=['energy', 'Q']),
+                self._binned_data.transpose(dims=["energy", "Q"]),
                 **plot_kwargs_defaults,
             )
         return fig
@@ -384,12 +374,13 @@ def _validate_coordinates(data: sc.DataArray) -> None:
             data (sc.DataArray): The data to validate.
 
         Raises:
+            TypeError: If data is not a sc.DataArray.
             ValueError: If required coordinates are missing.
         """
         if not isinstance(data, sc.DataArray):
-            raise TypeError('Data must be a sc.DataArray.')
+            raise TypeError("Data must be a sc.DataArray.")
 
-        required_coords = ['Q', 'energy']
+        required_coords = ["Q", "energy"]
         for coord in required_coords:
             if coord not in data.coords:
                 raise ValueError(f"Data is missing required coordinate: '{coord}'")
@@ -410,7 +401,9 @@ def _convert_to_bin_centers(self, data: sc.DataArray) -> sc.DataArray:
                 data = data.assign_coords({dim: sc.midpoints(coord)})
         return data
 
-    def _extract_x_y_var(self, Q_index: int) -> tuple[np.ndarray, np.ndarray, np.ndarray]:
+    def _extract_x_y_var(
+        self, Q_index: int
+    ) -> tuple[np.ndarray, np.ndarray, np.ndarray]:
         """Extract the x, y, and weights arrays from the experiment for
         the given Q index.
 
@@ -422,8 +415,8 @@ def _extract_x_y_var(self, Q_index: int) -> tuple[np.ndarray, np.ndarray, np.nda
                 variances arrays extracted from the experiment for the
                 given Q index.
         """
-        data = self.binned_data['Q', Q_index]
-        x = data.coords['energy'].values
+        data = self.binned_data["Q", Q_index]
+        x = data.coords["energy"].values
         y = data.values
         var = data.variances
         return x, y, var
@@ -462,7 +455,7 @@ def _extract_x_y_weights_only_finite(
         var = var[mask]
 
         if np.any(var == 0):
-            raise ValueError('Cannot compute weights: some variances are zero.')
+            raise ValueError("Cannot compute weights: some variances are zero.")
 
         weights = 1.0 / var**0.5
 
@@ -479,15 +472,15 @@ def __repr__(self) -> str:
             str: A string representation of the Experiment object.
         """
 
-        return f'Experiment `{self.unique_name}` with data: {self._data}'
+        return f"Experiment `{self.unique_name}` with data: {self._data}"
 
-    def __copy__(self) -> 'Experiment':
+    def __copy__(self) -> "Experiment":
         """Return a copy of the object.
 
         Returns:
             Experiment: A copy of the Experiment object.
         """
-        temp = self.to_dict(skip=['unique_name'])
+        temp = self.to_dict(skip=["unique_name"])
         new_obj = self.__class__.from_dict(temp)
         new_obj.data = self.data.copy() if self.data is not None else None
         return new_obj

From 85699507a599bbf94ed55bb0c0996dfd997340fd Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sun, 15 Mar 2026 20:42:51 +0100
Subject: [PATCH 25/31] numerical convolution base

---
 .../convolution/numerical_convolution_base.py | 158 +++++++-----------
 1 file changed, 63 insertions(+), 95 deletions(-)

diff --git a/src/easydynamics/convolution/numerical_convolution_base.py b/src/easydynamics/convolution/numerical_convolution_base.py
index ad4dffa77..46abef465 100644
--- a/src/easydynamics/convolution/numerical_convolution_base.py
+++ b/src/easydynamics/convolution/numerical_convolution_base.py
@@ -32,46 +32,6 @@ class NumericalConvolutionBase(ConvolutionBase):
     models. Provides methods to handle upsampling, extension, and
     detailed balance correction. This base class has no convolution
     functionality.
-
-    Args:
-        energy (np.ndarray | sc.Variable): 1D array of energy values
-            where the convolution is evaluated.
-        sample_components (ComponentCollection | ModelComponent): The
-            components to be convolved.
-        resolution_components (ComponentCollection | ModelComponent):
-            The resolution components to convolve with.
-        upsample_factor (int | None): The factor by which to upsample
-            the input data before convolution. Default is 5.
-        extension_factor (float | None): The factor by which to extend
-            the input data range before convolution. Default is 0.2.
-        temperature (Parameter | float | None): The temperature to use
-            for detailed balance correction. Default is None.
-        temperature_unit (str | sc.Unit): The unit of the temperature
-            parameter. Default is 'K'.
-        energy_unit (str | sc.Unit): The unit of the energy. Default is
-            'meV'.
-        normalize_detailed_balance (bool): Whether to normalize the
-            detailed balance correction. Default is True.
-
-    Attributes:
-        energy (np.ndarray | sc.Variable): 1D array of energy values
-            where the convolution is evaluated.
-        sample_components (ComponentCollection | ModelComponent): The
-            components to be convolved.
-        resolution_components (ComponentCollection | ModelComponent):
-            The resolution components to convolve with.
-        upsample_factor (int | None): The factor by which to upsample
-            the input data before convolution.
-        extension_factor (float | None): The factor by which to extend
-            the input data range before convolution.
-        temperature (Parameter | None): The temperature parameter for
-            detailed balance correction, or None if detailed balance is
-            disabled.
-        temperature_unit (str | sc.Unit): The unit of the temperature
-            parameter.
-        energy_unit (str | sc.Unit): The unit of the energy.
-        normalize_detailed_balance (bool): Whether to normalize the
-            detailed balance correction.
     """
 
     def __init__(
@@ -80,11 +40,11 @@ def __init__(
         sample_components: ComponentCollection | ModelComponent,
         resolution_components: ComponentCollection | ModelComponent,
         energy_offset: Numerical | Parameter = 0.0,
-        upsample_factor: Numerical = 5,
-        extension_factor: float = 0.2,
+        upsample_factor: Numerical | None = 5,
+        extension_factor: float | None = 0.2,
         temperature: Parameter | float | None = None,
-        temperature_unit: str | sc.Unit = 'K',
-        energy_unit: str | sc.Unit = 'meV',
+        temperature_unit: str | sc.Unit = "K",
+        energy_unit: str | sc.Unit = "meV",
         normalize_detailed_balance: bool = True,
     ) -> None:
         """Initialize the NumericalConvolutionBase.
@@ -96,30 +56,25 @@ def __init__(
                 The components to be convolved.
             resolution_components (ComponentCollection | ModelComponent):
                 The resolution components to convolve with.
-            upsample_factor (int | None): The factor by which to
-                upsample the input data before convolution. Default is
-                5.
-            extension_factor (float | None): The factor by which to
-                extend the input data range before convolution. Default
-                is 0.2.
-            temperature (Parameter | float | None): The temperature to
-                use for detailed balance correction. Default is None.
-            temperature_unit (str | sc.Unit): The unit of the
-                temperature parameter. Default is 'K'.
-            energy_unit (str | sc.Unit): The unit of the energy. Default
-                is 'meV'.
-            normalize_detailed_balance (bool): Whether to normalize the
-                detailed balance correction. Default is True.
+            energy_offset (Numerical | Parameter, default=0.0): An energy
+                offset to apply to the energy values before convolution.
+            upsample_factor (Numerical | None, default=5): The factor by which to
+                upsample the input data before convolution.
+            extension_factor (float | None, default=0.2): The factor by which to
+                extend the input data range before convolution.
+            temperature (Parameter | float | None, default=None): The temperature to
+                use for detailed balance correction.
+            temperature_unit (str | sc.Unit, default='K'): The unit of the
+                temperature parameter.
+            energy_unit (str | sc.Unit, default='meV'): The unit of the energy.
+            normalize_detailed_balance (bool, default=True): Whether to normalize the
+                detailed balance correction.
 
         Raises:
             TypeError: If temperature is not None, a number, or a
-                Parameter.
-            TypeError: If temperature_unit is not a string or sc.Unit.
-            TypeError: If upsample_factor is not a number or None.
-            ValueError: If upsample_factor is not greater than 1.
-            TypeError: If extension_factor is not a number.
-            ValueError: If extension_factor is negative.
-            TypeError: If normalize_detailed_balance is not a bool.
+                Parameter, or if temperature_unit is not a string or sc.Unit, or if
+                upsample_factor is not a number or None, or if extension_factor
+                is not a number, or if normalize_detailed_balance is not a bool.
         """
         super().__init__(
             energy=energy,
@@ -129,11 +84,13 @@ def __init__(
             energy_offset=energy_offset,
         )
 
-        if temperature is not None and not isinstance(temperature, (Numerical, Parameter)):
-            raise TypeError('Temperature must be None, a number or a Parameter.')
+        if temperature is not None and not isinstance(
+            temperature, (Numerical, Parameter)
+        ):
+            raise TypeError("Temperature must be None, a number or a Parameter.")
 
         if not isinstance(temperature_unit, (str, sc.Unit)):
-            raise TypeError('Temperature_unit must be a string or sc.Unit.')
+            raise TypeError("Temperature_unit must be a string or sc.Unit.")
         self._temperature_unit = temperature_unit
         self._temperature = None
         self.temperature = temperature
@@ -186,10 +143,10 @@ def upsample_factor(self, factor: Numerical) -> None:
             return
 
         if not isinstance(factor, Numerical):
-            raise TypeError('Upsample factor must be a numerical value or None.')
+            raise TypeError("Upsample factor must be a numerical value or None.")
         factor = float(factor)
         if factor <= 1.0:
-            raise ValueError('Upsample factor must be greater than 1.')
+            raise ValueError("Upsample factor must be greater than 1.")
 
         self._upsample_factor = factor
 
@@ -225,14 +182,15 @@ def extension_factor(self, factor: Numerical) -> None:
 
         Raises:
             TypeError: If factor is not a number.
+            ValueError: If factor is negative.
         """
 
         if not isinstance(factor, Numerical):
-            raise TypeError('Extension factor must be a number.')
+            raise TypeError("Extension factor must be a number.")
         if factor < 0.0:
-            raise ValueError('Extension factor must be non-negative.')
+            raise ValueError("Extension factor must be non-negative.")
 
-        self._extension_factor = factor
+        self._extension_factor = float(factor)
         # Recreate dense grid when extension factor is updated
         self._energy_grid = self._create_energy_grid()
 
@@ -270,7 +228,7 @@ def temperature(self, temp: Parameter | float | None) -> None:
                 self._temperature.value = float(temp)
             else:
                 self._temperature = Parameter(
-                    name='temperature',
+                    name="temperature",
                     value=float(temp),
                     unit=self._temperature_unit,
                     fixed=True,
@@ -278,7 +236,7 @@ def temperature(self, temp: Parameter | float | None) -> None:
         elif isinstance(temp, Parameter):
             self._temperature = temp
         else:
-            raise TypeError('Temperature must be None, a float or a Parameter.')
+            raise TypeError("Temperature must be None, a float or a Parameter.")
 
     @property
     def normalize_detailed_balance(self) -> bool:
@@ -300,14 +258,14 @@ def normalize_detailed_balance(self, normalize: bool) -> None:
 
         Args:
             normalize (bool): Whether to normalize the detailed balance
-            factor.
+                factor.
 
         Raises:
             TypeError: If normalize is not a bool.
         """
 
         if not isinstance(normalize, bool):
-            raise TypeError('normalize_detailed_balance must be True or False.')
+            raise TypeError("normalize_detailed_balance must be True or False.")
 
         self._normalize_detailed_balance = normalize
 
@@ -324,6 +282,10 @@ def _create_energy_grid(
         Returns:
             EnergyGrid: The dense grid created by upsampling and
                 extending energy.
+
+        Raises:
+            ValueError: If energy array is not uniformly spaced when
+                upsample_factor is None, or if energy array has less than 2 points.
         """
         if self.upsample_factor is None:
             # Check if the array is uniformly spaced.
@@ -331,7 +293,7 @@ def _create_energy_grid(
             is_uniform = np.allclose(energy_diff, energy_diff[0])
             if not is_uniform:
                 raise ValueError(
-                    'Input array `energy` must be uniformly spaced if upsample_factor is not given.'  # noqa: E501
+                    "Input array `energy` must be uniformly spaced if upsample_factor is not given."  # noqa: E501
                 )
             energy_dense = self.energy.values
 
@@ -348,7 +310,7 @@ def _create_energy_grid(
             energy_span_dense = extended_max - extended_min
 
         if len(energy_dense) < 2:
-            raise ValueError('Energy array must have at least two points.')
+            raise ValueError("Energy array must have at least two points.")
         energy_dense_step = energy_dense[1] - energy_dense[0]
 
         # Handle offset for even length of energy_dense in convolution.
@@ -412,23 +374,29 @@ def _check_width_thresholds(
             components = [model]  # Treat single ModelComponent as a list
 
         for comp in components:
-            if hasattr(comp, 'width'):
-                if comp.width.value > LARGE_WIDTH_THRESHOLD * self._energy_grid.energy_span_dense:
+            if hasattr(comp, "width"):
+                if (
+                    comp.width.value
+                    > LARGE_WIDTH_THRESHOLD * self._energy_grid.energy_span_dense
+                ):
                     warnings.warn(
                         f"The width of the {model_name} component '{comp.unique_name}' \
                             ({comp.width.value}) is large compared to the span of the input "
-                        f'array ({self._energy_grid.energy_span_dense}). \
+                        f"array ({self._energy_grid.energy_span_dense}). \
                             This may lead to inaccuracies in the convolution. \
-                                Increase extension_factor to improve accuracy.',
+                                Increase extension_factor to improve accuracy.",
                         UserWarning,
                     )
-                if comp.width.value < SMALL_WIDTH_THRESHOLD * self._energy_grid.energy_dense_step:
+                if (
+                    comp.width.value
+                    < SMALL_WIDTH_THRESHOLD * self._energy_grid.energy_dense_step
+                ):
                     warnings.warn(
                         f"The width of the {model_name} component '{comp.unique_name}' \
                             ({comp.width.value}) is small compared to the spacing of the input "
-                        f'array ({self._energy_grid.energy_dense_step}). \
+                        f"array ({self._energy_grid.energy_dense_step}). \
                             This may lead to inaccuracies in the convolution. \
-                                Increase upsample_factor to improve accuracy.',
+                                Increase upsample_factor to improve accuracy.",
                         UserWarning,
                     )
 
@@ -441,13 +409,13 @@ def __repr__(self) -> str:
                 NumericalConvolutionBase.
         """
         return (
-            f'{self.__class__.__name__}('
-            f'energy=array of shape {self.energy.values.shape},\n '
-            f'sample_components={repr(self.sample_components)}, \n'
-            f'resolution_components={repr(self.resolution_components)},\n '
-            f'energy_unit={self._energy_unit}, '
-            f'upsample_factor={self.upsample_factor}, '
-            f'extension_factor={self.extension_factor}, '
-            f'temperature={self.temperature}, '
-            f'normalize_detailed_balance={self.normalize_detailed_balance})'
+            f"{self.__class__.__name__}("
+            f"energy=array of shape {self.energy.values.shape},\n "
+            f"sample_components={repr(self.sample_components)}, \n"
+            f"resolution_components={repr(self.resolution_components)},\n "
+            f"energy_unit={self._energy_unit}, "
+            f"upsample_factor={self.upsample_factor}, "
+            f"extension_factor={self.extension_factor}, "
+            f"temperature={self.temperature}, "
+            f"normalize_detailed_balance={self.normalize_detailed_balance})"
         )

From b3fb3ad8e9b2f4d0ef0e5baa31ec4214b205b25e Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Sun, 15 Mar 2026 20:52:25 +0100
Subject: [PATCH 26/31] numerical convolution

---
 .../convolution/numerical_convolution.py      | 96 +++++--------------
 .../convolution/numerical_convolution_base.py | 45 +++++----
 2 files changed, 44 insertions(+), 97 deletions(-)

diff --git a/src/easydynamics/convolution/numerical_convolution.py b/src/easydynamics/convolution/numerical_convolution.py
index 27c10b2b3..bad409221 100644
--- a/src/easydynamics/convolution/numerical_convolution.py
+++ b/src/easydynamics/convolution/numerical_convolution.py
@@ -9,7 +9,9 @@
 from easydynamics.convolution.numerical_convolution_base import NumericalConvolutionBase
 from easydynamics.sample_model.component_collection import ComponentCollection
 from easydynamics.sample_model.components.model_component import ModelComponent
-from easydynamics.utils.detailed_balance import _detailed_balance_factor as detailed_balance_factor
+from easydynamics.utils.detailed_balance import (
+    _detailed_balance_factor as detailed_balance_factor,
+)
 from easydynamics.utils.utils import Numeric
 
 
@@ -19,49 +21,6 @@ class NumericalConvolution(NumericalConvolutionBase):
     extended range to improve accuracy. Warns about very wide or very
     narrow peaks in the models. If temperature is provided, detailed
     balance correction is applied to the sample model.
-
-    Args:
-        energy (np.ndarray | sc.Variable): 1D array of energy values
-            where the convolution is evaluated.
-        sample_components (ComponentCollection | ModelComponent): The
-            sample model to be convolved.
-        resolution_components (ComponentCollection | ModelComponent):
-            The resolution model to convolve with.
-        upsample_factor (int, optional): The factor by which to upsample
-            the input data before convolution. Default is 5.
-        extension_factor (float, optional): The factor by which to
-            extend the input data range before convolution. Default is
-            0.2.
-        temperature (Parameter | float | None, optional): The
-            temperature to use for detailed balance correction. Default
-            is None.
-        temperature_unit (str | sc.Unit, optional): The unit of the
-            temperature parameter. Default is 'K'.
-        energy_unit (str | sc.Unit, optional): The unit of the energy.
-            Default is 'meV'.
-        normalize_detailed_balance (bool, optional): Whether to
-            normalize the detailed balance correction. Default is True.
-
-    Attributes:
-        energy (np.ndarray | sc.Variable): The energy values where the
-            convolution is evaluated.
-        sample_components (ComponentCollection | ModelComponent): The
-            sample model to be convolved.
-        resolution_components (ComponentCollection | ModelComponent):
-            The resolution model to convolve with.
-        energy_offset (Parameter): The energy offset to apply to the
-            sample model before convolution.
-        upsample_factor (int): The factor by which to upsample the input
-            data before convolution.
-        extension_factor (float): The factor by which to extend the
-            input data range before convolution.
-        temperature (Parameter | float | None): The temperature to use
-            for detailed balance correction.
-        temperature_unit (str | sc.Unit): The unit of the temperature
-            parameter.
-        energy_unit (str | sc.Unit): The unit of the energy.
-        normalize_detailed_balance (bool): Whether to normalize the
-            detailed balance correction.
     """
 
     def __init__(
@@ -70,11 +29,11 @@ def __init__(
         sample_components: ComponentCollection | ModelComponent,
         resolution_components: ComponentCollection | ModelComponent,
         energy_offset: Numeric | Parameter = 0.0,
-        upsample_factor: Numeric = 5,
-        extension_factor: Numeric = 0.2,
+        upsample_factor: Numeric | None = 5,
+        extension_factor: Numeric | None = 0.2,
         temperature: Parameter | Numeric | None = None,
-        temperature_unit: str | sc.Unit = 'K',
-        energy_unit: str | sc.Unit = 'meV',
+        temperature_unit: str | sc.Unit = "K",
+        energy_unit: str | sc.Unit = "meV",
         normalize_detailed_balance: bool = True,
     ) -> None:
         """Initialize the NumericalConvolution object.
@@ -86,32 +45,22 @@ def __init__(
                 The sample model to be convolved.
             resolution_components (ComponentCollection | ModelComponent):
                 The resolution model to convolve with.
-            upsample_factor (int, optional): The factor by which to
-                upsample the input data before convolution. Default is
-                5.
-            extension_factor (float, optional): The factor by which to
-                extend the input data range before convolution. Default
-                is 0.2.
-            temperature (Parameter | float | None, optional): The
+            energy_offset (Numeric | Parameter, default=0.0): An energy
+                offset to apply to the energy values before convolution.
+            upsample_factor (Numeric | None, default=5): The factor by which to
+                upsample the input data before convolution.
+            extension_factor (Numeric | None, default=0.2): The factor by which to
+                extend the input data range before convolution.
+            temperature (Parameter | Numeric | None, default=None): The
                 temperature to use for detailed balance correction.
                 Default is None.
-            temperature_unit (str | sc.Unit, optional): The unit of the
-                temperature parameter. Default is 'K'.
-            energy_unit (str | sc.Unit, optional): The unit of the
+            temperature_unit (str | sc.Unit, default='K'): The unit of the
+                temperature parameter.
+            energy_unit (str | sc.Unit, default='meV'): The unit of the
                 energy. Default is 'meV'.
-            normalize_detailed_balance (bool, optional): Whether to
+            normalize_detailed_balance (bool, default=True): Whether to
                 normalize the detailed balance correction. Default is
                 True.
-
-        Raises:
-            TypeError: If temperature is not None, a number, or a
-                Parameter.
-            TypeError: If temperature_unit is not a string or sc.Unit.
-            TypeError: If upsample_factor is not a number or None.
-            ValueError: If upsample_factor is not greater than 1.
-            TypeError: If extension_factor is not a number.
-            ValueError: If extension_factor is negative.
-            TypeError: If normalize_detailed_balance is not a bool.
         """
         super().__init__(
             energy=energy,
@@ -134,18 +83,17 @@ def convolution(
         correction if temperature is provided.
 
         Returns:
-            np.ndarray
-                The convolved values evaluated at energy.
+            np.ndarray: The convolved values evaluated at energy.
         """
 
         # Give warnings if peaks are very wide or very narrow
         self._check_width_thresholds(
             model=self.sample_components,
-            model_name='sample model',
+            model_name="sample model",
         )
         self._check_width_thresholds(
             model=self.resolution_components,
-            model_name='resolution model',
+            model_name="resolution model",
         )
 
         # Evaluate sample model. If called via the Convolution class,
@@ -172,7 +120,7 @@ def convolution(
         )
 
         # Convolution
-        convolved = fftconvolve(sample_vals, resolution_vals, mode='same')
+        convolved = fftconvolve(sample_vals, resolution_vals, mode="same")
         convolved *= self._energy_grid.energy_dense_step  # normalize
 
         if self.upsample_factor is not None:
diff --git a/src/easydynamics/convolution/numerical_convolution_base.py b/src/easydynamics/convolution/numerical_convolution_base.py
index 46abef465..9c5ffda24 100644
--- a/src/easydynamics/convolution/numerical_convolution_base.py
+++ b/src/easydynamics/convolution/numerical_convolution_base.py
@@ -14,8 +14,7 @@
 from easydynamics.convolution.energy_grid import EnergyGrid
 from easydynamics.sample_model.component_collection import ComponentCollection
 from easydynamics.sample_model.components.model_component import ModelComponent
-
-Numerical = float | int
+from easydynamics.utils.utils import Numeric
 
 # The thresholds are illustrated in
 # performance_tests/convolution/convolution_width_thresholds.ipynb
@@ -39,10 +38,10 @@ def __init__(
         energy: np.ndarray | sc.Variable,
         sample_components: ComponentCollection | ModelComponent,
         resolution_components: ComponentCollection | ModelComponent,
-        energy_offset: Numerical | Parameter = 0.0,
-        upsample_factor: Numerical | None = 5,
-        extension_factor: float | None = 0.2,
-        temperature: Parameter | float | None = None,
+        energy_offset: Numeric | Parameter = 0.0,
+        upsample_factor: Numeric | None = 5,
+        extension_factor: Numeric | None = 0.2,
+        temperature: Parameter | Numeric | None = None,
         temperature_unit: str | sc.Unit = "K",
         energy_unit: str | sc.Unit = "meV",
         normalize_detailed_balance: bool = True,
@@ -56,13 +55,13 @@ def __init__(
                 The components to be convolved.
             resolution_components (ComponentCollection | ModelComponent):
                 The resolution components to convolve with.
-            energy_offset (Numerical | Parameter, default=0.0): An energy
+            energy_offset (Numeric | Parameter, default=0.0): An energy
                 offset to apply to the energy values before convolution.
-            upsample_factor (Numerical | None, default=5): The factor by which to
+            upsample_factor (Numeric | None, default=5): The factor by which to
                 upsample the input data before convolution.
-            extension_factor (float | None, default=0.2): The factor by which to
+            extension_factor (Numeric | None, default=0.2): The factor by which to
                 extend the input data range before convolution.
-            temperature (Parameter | float | None, default=None): The temperature to
+            temperature (Parameter | Numeric | None, default=None): The temperature to
                 use for detailed balance correction.
             temperature_unit (str | sc.Unit, default='K'): The unit of the
                 temperature parameter.
@@ -85,7 +84,7 @@ def __init__(
         )
 
         if temperature is not None and not isinstance(
-            temperature, (Numerical, Parameter)
+            temperature, (Numeric, Parameter)
         ):
             raise TypeError("Temperature must be None, a number or a Parameter.")
 
@@ -117,21 +116,21 @@ def energy(self, energy: np.ndarray) -> None:
         self._energy_grid = self._create_energy_grid()
 
     @property
-    def upsample_factor(self) -> Numerical:
+    def upsample_factor(self) -> Numeric | None:
         """Get the upsample factor.
 
         Returns:
-            Numerical: The upsample factor.
+            Numeric | None: The upsample factor.
         """
 
         return self._upsample_factor
 
     @upsample_factor.setter
-    def upsample_factor(self, factor: Numerical) -> None:
+    def upsample_factor(self, factor: Numeric | None) -> None:
         """Set the upsample factor and recreate the dense grid.
 
         Args:
-            factor (Numerical): The new upsample factor.
+            factor (Numeric | None): The new upsample factor.
 
         Raises:
             TypeError: If factor is not a number or None.
@@ -142,7 +141,7 @@ def upsample_factor(self, factor: Numerical) -> None:
             self._energy_grid = self._create_energy_grid()
             return
 
-        if not isinstance(factor, Numerical):
+        if not isinstance(factor, Numeric):
             raise TypeError("Upsample factor must be a numerical value or None.")
         factor = float(factor)
         if factor <= 1.0:
@@ -169,7 +168,7 @@ def extension_factor(self) -> float:
         return self._extension_factor
 
     @extension_factor.setter
-    def extension_factor(self, factor: Numerical) -> None:
+    def extension_factor(self, factor: Numeric) -> None:
         """
         Set the extension factor and recreate the dense grid.
         The extension factor determines how much the energy range is
@@ -178,14 +177,14 @@ def extension_factor(self, factor: Numerical) -> None:
         on each side.
 
         Args:
-            factor (Numerical): The new extension factor.
+            factor (Numeric): The new extension factor.
 
         Raises:
             TypeError: If factor is not a number.
             ValueError: If factor is negative.
         """
 
-        if not isinstance(factor, Numerical):
+        if not isinstance(factor, Numeric):
             raise TypeError("Extension factor must be a number.")
         if factor < 0.0:
             raise ValueError("Extension factor must be non-negative.")
@@ -206,24 +205,24 @@ def temperature(self) -> Optional[Parameter]:
         return self._temperature
 
     @temperature.setter
-    def temperature(self, temp: Parameter | float | None) -> None:
+    def temperature(self, temp: Parameter | Numeric | None) -> None:
         """Set the temperature.
 
         If None, disables detailed balance
         correction and removes the temperature parameter.
 
         Args:
-            temp  (Parameter | float | None): The temperature to set.
+            temp  (Parameter | Numeric | None): The temperature to set.
                 The unit will be the same as the existing temperature
                 parameter if it exists, otherwise 'K'.
 
         Raises:
-            TypeError: If temp is not a float, Parameter, or None.
+            TypeError: If temp is not a Numeric, Parameter, or None.
         """
 
         if temp is None:
             self._temperature = None
-        elif isinstance(temp, Numerical):
+        elif isinstance(temp, Numeric):
             if self._temperature is not None:
                 self._temperature.value = float(temp)
             else:

From 7287387d235eaa466c1133a233e2cc7d28aa59c7 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Mon, 16 Mar 2026 11:29:08 +0100
Subject: [PATCH 27/31] docstring lint done

---
 src/easydynamics/analysis/analysis.py         | 197 ++++++++-------
 src/easydynamics/analysis/analysis1d.py       | 228 +++++++++---------
 src/easydynamics/analysis/analysis_base.py    | 141 ++++++-----
 .../convolution/analytical_convolution.py     |  67 +++--
 src/easydynamics/convolution/convolution.py   | 116 ++++-----
 .../convolution/convolution_base.py           | 129 +++++-----
 6 files changed, 407 insertions(+), 471 deletions(-)

diff --git a/src/easydynamics/analysis/analysis.py b/src/easydynamics/analysis/analysis.py
index 4bad97757..d0f80be82 100644
--- a/src/easydynamics/analysis/analysis.py
+++ b/src/easydynamics/analysis/analysis.py
@@ -1,6 +1,8 @@
 # SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+from typing import Any
+
 import numpy as np
 import scipp as sc
 from easyscience.fitting.minimizers.utils import FitResults
@@ -21,43 +23,11 @@ class Analysis(AnalysisBase):
     """For analysing two-dimensional data, i.e. intensity as function of
     energy and Q. Supports independent fits of each Q value and
     simultaneous fits of all Q.
-
-    Args:
-        display_name (str): Display name of the analysis.
-        unique_name (str or None): Unique name of the analysis. If None,
-            a unique name is automatically generated.
-        experiment (Experiment | None): The Experiment associated with
-            this Analysis. If None, a default Experiment is created.
-        sample_model (SampleModel | None): The SampleModel associated
-            with this Analysis. If None, a default SampleModel is
-            created.
-        instrument_model (InstrumentModel | None): The InstrumentModel
-            associated with this Analysis. If None, a default
-            InstrumentModel is created.
-        extra_parameters (Parameter | list[Parameter] | None): Extra
-            parameters to be included in the analysis for advanced
-            users. If None, no extra parameters are added.
-
-    Attributes:
-        experiment (Experiment): The Experiment associated with this
-            Analysis.
-        sample_model (SampleModel): The SampleModel associated with this
-            Analysis.
-        instrument_model (InstrumentModel): The InstrumentModel
-            associated with this Analysis.
-        Q (sc.Variable | None): The Q values from the associated
-            Experiment, if available.
-        energy (sc.Variable | None): The energy values from the
-            associated Experiment, if available.
-        temperature (Parameter | None): The temperature from the
-            associated SampleModel, if available.
-        extra_parameters (list[Parameter]): The extra parameters
-            included in this Analysis.
     """
 
     def __init__(
         self,
-        display_name: str = 'MyAnalysis',
+        display_name: str | None = "MyAnalysis",
         unique_name: str | None = None,
         experiment: Experiment | None = None,
         sample_model: SampleModel | None = None,
@@ -67,19 +37,19 @@ def __init__(
         """Initialize an Analysis object.
 
         Args:
-            display_name (str): Display name of the analysis.
-            unique_name (str or None): Unique name of the analysis. If
+            display_name (str | None, default='MyAnalysis'): Display name of the analysis.
+            unique_name (str | None, default=None): Unique name of the analysis. If
                 None, a unique name is automatically generated.
-            experiment (Experiment | None): The Experiment associated
+            experiment (Experiment | None, default=None): The Experiment associated
                 with this Analysis. If None, a default Experiment is
                 created.
-            sample_model (SampleModel | None): The SampleModel
+            sample_model (SampleModel | None, default=None): The SampleModel
                 associated with this Analysis. If None, a default
                 SampleModel is created.
-            instrument_model (InstrumentModel | None): The
+            instrument_model (InstrumentModel | None, default=None): The
                 InstrumentModel associated with this Analysis. If None,
                 a default InstrumentModel is created.
-            extra_parameters (Parameter | list[Parameter] | None): Extra
+            extra_parameters (Parameter | list[Parameter] | None, default=None): Extra
                 parameters to be included in the analysis for advanced
                 users. If None, no extra parameters are added.
         """
@@ -100,8 +70,8 @@ def __init__(
         if self.Q is not None:
             for Q_index in range(len(self.Q)):
                 analysis = Analysis1d(
-                    display_name=f'{self.display_name}_Q{Q_index}',
-                    unique_name=(f'{self.unique_name}_Q{Q_index}'),
+                    display_name=f"{self.display_name}_Q{Q_index}",
+                    unique_name=(f"{self.unique_name}_Q{Q_index}"),
                     experiment=self.experiment,
                     sample_model=self.sample_model,
                     instrument_model=self.instrument_model,
@@ -133,15 +103,19 @@ def analysis_list(self, value: list[Analysis1d]) -> None:
         To change the analysis list, modify the experiment, sample
         model, or instrument model.
 
+        Args:
+            value (list[Analysis1d]): The new list of Analysis1d objects. This
+                argument is ignored, as analysis_list is read-only.
+
         Raises:
             AttributeError: Always raised, since analysis_list is
                 read-only.
         """
 
         raise AttributeError(
-            'analysis_list is read-only. '
-            'To change the analysis list, modify the experiment, sample model, '
-            'or instrument model.'
+            "analysis_list is read-only. "
+            "To change the analysis list, modify the experiment, sample model, "
+            "or instrument model."
         )
 
     #############
@@ -156,71 +130,73 @@ def calculate(
         None, calculate for all Q indices and return a list of arrays.
 
         Args:
-            Q_index (int or None): Index of the Q value to calculate
+            Q_index (int | None, default=None): Index of the Q value to calculate
                 for. If None, calculate for all Q values.
+            energy (sc.Variable | None, default=None): The energy values to use for
+                calculating the model. If None, uses the energy from the
+                experiment.
 
         Returns:
             list[np.ndarray] | np.ndarray: If Q_index is None, returns
                 a list of numpy arrays, one for each Q index.
                 If Q_index is an integer, returns a single numpy array
                 for that Q index.
-
-        Raises:
-            IndexError: If Q_index is not None and is out of bounds.
         """
         if energy is None:
             energy = self.energy
 
         if Q_index is None:
-            return [analysis.calculate(energy=energy) for analysis in self.analysis_list]
+            return [
+                analysis.calculate(energy=energy) for analysis in self.analysis_list
+            ]
 
         Q_index = self._verify_Q_index(Q_index)
         return self.analysis_list[Q_index].calculate(energy=energy)
 
     def fit(
         self,
-        fit_method: str = 'independent',
+        fit_method: str = "independent",
         Q_index: int | None = None,
     ) -> FitResults | list[FitResults]:
         """Fit the model to the experimental data.
 
         Args:
-            fit_method (str): Method to use for fitting. Options are
+            fit_method (str, default="independent"): Method to use for fitting. Options are
                 "independent" (fit each Q index independently, one after
                 the other) or "simultaneous" (fit all Q indices
                 simultaneously). Default is "independent".
-            Q_index (int or None): If fit_method is "independent",
+            Q_index (int | None, default=None): If fit_method is "independent",
                 specify which Q index to fit. If None, fit all Q indices
                 independently. Ignored if fit_method is "simultaneous".
                 Default is None.
 
         Returns:
-            FitResults: a list of FitResults if fitting independently,
+            FitResults | list[FitResults]: a list of FitResults if fitting independently,
                 or a single FitResults object if fitting simultaneously.
 
         Raises:
             ValueError: If fit_method is not "independent" or
-                "simultaneous"
-            IndexError: If fit_method is "independent" and Q_index is
-                out of bounds.
+                "simultaneous" or if there are no Q values available for fitting.
         """
 
         if self.Q is None:
             raise ValueError(
-                'No Q values available for fitting. Please check the experiment data.'
+                "No Q values available for fitting. Please check the experiment data."
             )
 
         Q_index = self._verify_Q_index(Q_index)
 
-        if fit_method == 'independent':
+        if fit_method == "independent":
             if Q_index is not None:
                 return self._fit_single_Q(Q_index)
             else:
                 return self._fit_all_Q_independently()
-        elif fit_method == 'simultaneous':
+        elif fit_method == "simultaneous":
             return self._fit_all_Q_simultaneously()
         else:
-            raise ValueError("Invalid fit method. Choose 'independent' or 'simultaneous'.")
+            raise ValueError(
+                "Invalid fit method. Choose 'independent' or 'simultaneous'."
+            )
 
     def plot_data_and_model(
         self,
@@ -228,7 +204,7 @@ def plot_data_and_model(
         plot_components: bool = True,
         add_background: bool = True,
         energy: sc.Variable | None = None,
-        **kwargs,
+        **kwargs: dict[str, Any],
     ) -> InteractiveFigure:
         """Plot the experimental data and the model prediction.
         Optionally also plot the individual components of the model.
@@ -236,14 +212,17 @@ def plot_data_and_model(
         Uses Plopp for plotting: https://scipp.github.io/plopp/
 
         Args:
-            Q_index (int or None): Index of the Q value to plot. If
+            Q_index (int | None, default=None): Index of the Q value to plot. If
                 None, plot all Q values. Default is None.
-            plot_components (bool): Whether to plot the individual
+            plot_components (bool, default=True): Whether to plot the individual
                 components. Default is True.
-            add_background (bool): Whether to add background components
+            add_background (bool, default=True): Whether to add background components
                 to the sample model components when plotting. Default is
                 True.
-            **kwargs (Any): Additional keyword arguments passed to plopp
+            energy (sc.Variable | None, default=None): The energy values to use for
+                calculating the model. If None, uses the energy from the
+                experiment.
+            **kwargs (dict[str, Any]): Additional keyword arguments passed to plopp
                 for customizing the plot.
 
         Raises:
@@ -269,21 +248,23 @@ def plot_data_and_model(
             )
 
         if self.experiment.binned_data is None:
-            raise ValueError('No data to plot. Please load data first.')
+            raise ValueError("No data to plot. Please load data first.")
 
         if not _in_notebook():
-            raise RuntimeError('plot_data() can only be used in a Jupyter notebook environment.')
+            raise RuntimeError(
+                "plot_data() can only be used in a Jupyter notebook environment."
+            )
 
         if self.Q is None:
             raise ValueError(
-                'No Q values available for plotting. Please check the experiment data.'
+                "No Q values available for plotting. Please check the experiment data."
             )
 
         if not isinstance(plot_components, bool):
-            raise TypeError('plot_components must be True or False.')
+            raise TypeError("plot_components must be True or False.")
 
         if not isinstance(add_background, bool):
-            raise TypeError('add_background must be True or False.')
+            raise TypeError("add_background must be True or False.")
 
         if energy is None:
             energy = self.energy
@@ -291,16 +272,16 @@ def plot_data_and_model(
         import plopp as pp
 
         plot_kwargs_defaults = {
-            'title': self.display_name,
-            'linestyle': {'Data': 'none', 'Model': '-'},
-            'marker': {'Data': 'o', 'Model': None},
-            'color': {'Data': 'black', 'Model': 'red'},
-            'markerfacecolor': {'Data': 'none', 'Model': 'none'},
-            'keep': 'energy',
+            "title": self.display_name,
+            "linestyle": {"Data": "none", "Model": "-"},
+            "marker": {"Data": "o", "Model": None},
+            "color": {"Data": "black", "Model": "red"},
+            "markerfacecolor": {"Data": "none", "Model": "none"},
+            "keep": "energy",
         }
         data_and_model = {
-            'Data': self.experiment.binned_data,
-            'Model': self._create_model_array(energy=energy),
+            "Data": self.experiment.binned_data,
+            "Model": self._create_model_array(energy=energy),
         }
 
         if plot_components:
@@ -309,8 +290,8 @@ def plot_data_and_model(
             )
             for key in components.keys():
                 data_and_model[key] = components[key]
-                plot_kwargs_defaults['linestyle'][key] = '--'
-                plot_kwargs_defaults['marker'][key] = None
+                plot_kwargs_defaults["linestyle"][key] = "--"
+                plot_kwargs_defaults["marker"][key] = None
 
         # Overwrite defaults with any user-provided kwargs
         plot_kwargs_defaults.update(kwargs)
@@ -329,15 +310,15 @@ def parameters_to_dataset(self) -> sc.Dataset:
 
         Returns:
             sc.Dataset: A dataset where each entry is a parameter, with
-            dimensions "Q" and values corresponding to the parameter
-            values.
+                dimensions "Q" and values corresponding to the parameter
+                values.
 
         Raises:
             UnitError: If there are inconsistent units for the same
                 parameter across different Q values.
         """
 
-        ds = sc.Dataset(coords={'Q': self.Q})
+        ds = sc.Dataset(coords={"Q": self.Q})
 
         # Collect all parameter names
         all_names = {
@@ -367,7 +348,7 @@ def parameters_to_dataset(self) -> sc.Dataset:
                         except Exception as e:
                             raise UnitError(
                                 f"Inconsistent units for parameter '{name}': "
-                                f'{units[name]} vs {p.unit}'
+                                f"{units[name]} vs {p.unit}"
                             ) from e
 
                     values[name].append(p.value)
@@ -379,7 +360,7 @@ def parameters_to_dataset(self) -> sc.Dataset:
         # Build dataset variables
         for name in all_names:
             ds[name] = sc.Variable(
-                dims=['Q'],
+                dims=["Q"],
                 values=np.asarray(values[name], dtype=float),
                 variances=np.asarray(variances[name], dtype=float),
                 unit=units.get(name, None),
@@ -390,20 +371,24 @@ def parameters_to_dataset(self) -> sc.Dataset:
     def plot_parameters(
         self,
         names: str | list[str] | None = None,
-        **kwargs,
+        **kwargs: dict[str, Any],
     ) -> InteractiveFigure:
         """Plot fitted parameters as a function of Q.
 
         Args:
-            names (str | list[str] | None): Name(s) of the parameter(s)
+            names (str | list[str] | None, default=None): Name(s) of the parameter(s)
                 to plot. If None, plots all parameters.
-            kwargs (Any): Additional keyword arguments passed to
+            **kwargs (dict[str, Any]): Additional keyword arguments passed to
                 plopp.slicer for customizing the plot (e.g., title,
                 linestyle, marker, color).
 
         Returns:
             InteractiveFigure: A Plopp InteractiveFigure containing the
                 plot of the parameters.
+
+        Raises:
+            TypeError: If names is not a string, list of strings, or None.
+            ValueError: If any of the specified parameter names are not found in the dataset.
         """
 
         ds = self.parameters_to_dataset()
@@ -414,8 +399,10 @@ def plot_parameters(
         if isinstance(names, str):
             names = [names]
 
-        if not isinstance(names, list) or not all(isinstance(name, str) for name in names):
-            raise TypeError('names must be a string or a list of strings.')
+        if not isinstance(names, list) or not all(
+            isinstance(name, str) for name in names
+        ):
+            raise TypeError("names must be a string or a list of strings.")
 
         for name in names:
             if name not in ds:
@@ -423,9 +410,9 @@ def plot_parameters(
 
         data_to_plot = {name: ds[name] for name in names}
         plot_kwargs_defaults = {
-            'linestyle': {name: 'none' for name in names},
-            'marker': {name: 'o' for name in names},
-            'markerfacecolor': {name: 'none' for name in names},
+            "linestyle": {name: "none" for name in names},
+            "marker": {name: "o" for name in names},
+            "markerfacecolor": {name: "none" for name in names},
         }
 
         plot_kwargs_defaults.update(kwargs)
@@ -517,7 +504,9 @@ def _fit_all_Q_simultaneously(self) -> FitResults:
         ws = []
 
         for analysis in self.analysis_list:
-            x, y, weight, _ = self.experiment._extract_x_y_weights_only_finite(analysis.Q_index)
+            x, y, weight, _ = self.experiment._extract_x_y_weights_only_finite(
+                analysis.Q_index
+            )
             xs.append(x)
             ys.append(y)
             ws.append(weight)
@@ -550,16 +539,21 @@ def get_fit_functions(self) -> list[callable]:
     def _create_model_array(self, energy: sc.Variable | None = None) -> sc.DataArray:
         """Create a scipp array for the model.
 
+        Args:
+            energy (sc.Variable | None, default=None): The energy values to use for
+                calculating the model. If None, uses the energy from the
+                experiment.
+
         Returns:
             sc.DataArray: A DataArray containing the model values, with
                 dimensions "Q" and "energy".
         """
         if energy is None:
             energy = self.energy
-        model = sc.array(dims=['Q', 'energy'], values=self.calculate(energy=energy))
+        model = sc.array(dims=["Q", "energy"], values=self.calculate(energy=energy))
         model_data_array = sc.DataArray(
             data=model,
-            coords={'Q': self.Q, 'energy': energy},
+            coords={"Q": self.Q, "energy": energy},
         )
         return model_data_array
 
@@ -572,9 +566,12 @@ def _create_components_dataset(
         of the model for plotting.
 
         Args:
-            add_background (bool): Whether to add background components
+            add_background (bool, default=True): Whether to add background components
                 to the sample model components when creating the
-                dataset. Default is True.
+                dataset.
+            energy (sc.Variable | None, default=None): The energy values to use for
+                calculating the components. If None, uses the energy from
+                the experiment.
 
         Raises:
             TypeError: If add_background is not True or False.
@@ -584,7 +581,7 @@ def _create_components_dataset(
                 of the model, with dimensions "Q".
         """
         if not isinstance(add_background, bool):
-            raise TypeError('add_background must be True or False.')
+            raise TypeError("add_background must be True or False.")
 
         if energy is None:
             energy = self.energy
@@ -596,7 +593,7 @@ def _create_components_dataset(
             for analysis in self.analysis_list
         ]
 
-        return sc.concat(datasets, dim='Q')
+        return sc.concat(datasets, dim="Q")
 
     #############
     # Dunder methods
diff --git a/src/easydynamics/analysis/analysis1d.py b/src/easydynamics/analysis/analysis1d.py
index 809b5e343..41bffaee7 100644
--- a/src/easydynamics/analysis/analysis1d.py
+++ b/src/easydynamics/analysis/analysis1d.py
@@ -1,6 +1,8 @@
 # SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+from typing import Any
+
 import numpy as np
 import scipp as sc
 from easyscience.fitting.fitter import Fitter as EasyScienceFitter
@@ -22,47 +24,11 @@ class Analysis1d(AnalysisBase):
     """For analysing one-dimensional data, i.e. intensity as function of
     energy for a single Q index. Is used primarily in the Analysis
     class, but can also be used on its own for simpler analyses.
-
-    Args:
-        display_name (str): Display name of the analysis.
-        unique_name (str or None): Unique name of the analysis. If None,
-            a unique name is automatically generated.
-        experiment (Experiment | None): The Experiment associated with
-            this Analysis. If None, a default Experiment is created.
-        sample_model (SampleModel | None): The SampleModel associated
-            with this Analysis. If None, a default SampleModel is
-            created.
-        instrument_model (InstrumentModel | None): The InstrumentModel
-            associated with this Analysis. If None, a default
-            InstrumentModel is created.
-        Q_index (int | None): The Q index to analyze. If None, the
-            analysis will not be able to calculate or fit until a
-            Q index is set.
-        extra_parameters (Parameter | list[Parameter] | None): Extra
-            parameters to be included in the analysis for advanced
-            users. If None, no extra parameters are added.
-
-    Attributes:
-        experiment (Experiment): The Experiment associated with this
-            Analysis.
-        sample_model (SampleModel): The SampleModel associated with this
-            Analysis.
-        instrument_model (InstrumentModel): The InstrumentModel
-            associated with this Analysis.
-        Q (sc.Variable | None): The Q values from the associated
-            Experiment, if available.
-        energy (sc.Variable | None): The energy values from the
-            associated Experiment, if available.
-        temperature (Parameter | None): The temperature from the
-            associated SampleModel, if available.
-        Q_index (int | None): The Q index being analyzed.
-        extra_parameters (list[Parameter]): The extra parameters
-            included in this Analysis.
     """
 
     def __init__(
         self,
-        display_name: str = 'MyAnalysis',
+        display_name: str | None = "MyAnalysis",
         unique_name: str | None = None,
         experiment: Experiment | None = None,
         sample_model: SampleModel | None = None,
@@ -73,22 +39,22 @@ def __init__(
         """Initialize a Analysis1d.
 
         Args:
-            display_name (str): Display name of the analysis.
-            unique_name (str or None): Unique name of the analysis. If
+            display_name (str | None, default='MyAnalysis'): Display name of the analysis.
+            unique_name (str | None, default=None): Unique name of the analysis. If
                 None, a unique name is automatically generated.
-            experiment (Experiment | None): The Experiment associated
+            experiment (Experiment | None, default=None): The Experiment associated
                 with this Analysis. If None, a default Experiment is
                 created.
-            sample_model (SampleModel | None): The SampleModel
+            sample_model (SampleModel | None, default=None): The SampleModel
                 associated with this Analysis. If None, a default
                 SampleModel is created.
-            instrument_model (InstrumentModel | None): The
+            instrument_model (InstrumentModel | None, default=None): The
                 InstrumentModel associated with this Analysis. If None,
                 a default InstrumentModel is created.
-            Q_index (int | None): The Q index to analyze. If None, the
+            Q_index (int | None, default=None): The Q index to analyze. If None, the
                 analysis will not be able to calculate or fit until a
                 Q index is set.
-            extra_parameters (Parameter | list[Parameter] | None): Extra
+            extra_parameters (Parameter | list[Parameter] | None, default=None): Extra
                 parameters to be included in the analysis for advanced
                 users. If None, no extra parameters are added.
         """
@@ -134,7 +100,7 @@ def Q_index(self, value: int | None) -> None:
         """Set the Q index for single Q analysis.
 
         Args:
-            index (int | None): The Q index.
+            value (int | None): The Q index.
         """
 
         self._Q_index = self._verify_Q_index(value)
@@ -149,7 +115,7 @@ def calculate(self, energy: sc.Variable | None = None) -> np.ndarray:
         sure the convolver is up to date before calculating.
 
         Args:
-            energy (sc.Variable | None): Optional energy grid to use for
+            energy (sc.Variable | None, default=None): Optional energy grid to use for
                 calculation. If None, the energy grid from the experiment
                 is used.
 
@@ -166,7 +132,7 @@ def _calculate(self, energy: sc.Variable | None = None) -> np.ndarray:
         not check if the convolver is up to date.
 
         Args:
-            energy (sc.Variable | None): Optional energy grid to use for
+            energy (sc.Variable | None, default=None): Optional energy grid to use for
                 calculation. If None, the energy grid from the experiment
                 is used.
 
@@ -191,17 +157,14 @@ def fit(self) -> FitResults:
         parameter optimization for performance reasons.
 
         Returns:
-            FitResult: The result of the fit.
+            FitResults: The result of the fit.
 
         Raises:
             ValueError: If no experiment is associated with this
                 Analysis.
-
-        Returns:
-            FitResults: The result of the fit.
         """
         if self._experiment is None:
-            raise ValueError('No experiment is associated with this Analysis.')
+            raise ValueError("No experiment is associated with this Analysis.")
 
         # Create convolver once to reuse during fitting
         self._convolver = self._create_convolver()
@@ -220,7 +183,9 @@ def fit(self) -> FitResults:
 
         return fit_result
 
-    def as_fit_function(self, x=None, **kwargs) -> callable:
+    def as_fit_function(
+        self, x: np.ndarray | sc.Variable | None = None, **kwargs: dict[str, Any]
+    ) -> callable:
         """Return self._calculate as a fit function.
 
         The EasyScience fitter requires x as input, but
@@ -229,13 +194,20 @@ def as_fit_function(self, x=None, **kwargs) -> callable:
         calculated model.
 
         Args:
-            x (Any): Ignored. The energy grid is taken from the
-                experiment.
-            kwargs (dict): Ignored. Included for compatibility with the
+            x (np.ndarray | sc.Variable | None, default=None): Ignored.
+                The energy grid is taken from the experiment.
+            **kwargs (dict[str, Any]): Ignored. Included for compatibility with the
                 EasyScience fitter.
+
+        Returns:
+            callable: A function that can be used as a fit function in the
+                EasyScience fitter, which returns the calculated model.
         """
 
-        def fit_function(x, **kwargs):
+        def fit_function(
+            x: np.ndarray | sc.Variable | None = None,
+            **kwargs: dict[str, Any],
+        ) -> np.ndarray:
             return self._calculate()
 
         return fit_function
@@ -260,7 +232,7 @@ def plot_data_and_model(
         plot_components: bool = True,
         add_background: bool = True,
         energy: sc.Variable | None = None,
-        **kwargs,
+        **kwargs: dict[str, Any],
     ) -> InteractiveFigure:
         """Plot the experimental data and the model prediction for the
         chosen Q index. Optionally also plot the individual components
@@ -269,29 +241,32 @@ def plot_data_and_model(
         Uses Plopp for plotting: https://scipp.github.io/plopp/
 
         Args:
-            plot_components (bool): Whether to plot the individual
-                components of the model. Default is True.
-            add_background (bool): Whether to add the background to the
+            plot_components (bool, default=True): Whether to plot the individual
+                components of the model.
+            add_background (bool, default=True): Whether to add the background to the
                 model prediction when plotting individual components.
-            energy (sc.Variable | None): Optional energy grid to use for
+            energy (sc.Variable | None, default=None): Optional energy grid to use for
                 plotting. If None, the energy grid from the experiment
                 is used.
-            kwargs (dict): Keyword arguments to pass to the plotting
+            **kwargs (dict[str, Any]): Keyword arguments to pass to the plotting
                 function.
 
         Returns:
             InteractiveFigure: A plot of the data and model.
+
+        Raises:
+            ValueError: If no data is available to plot.
         """
         import plopp as pp
 
         if self.experiment.data is None:
-            raise ValueError('No data to plot. Please load data first.')
+            raise ValueError("No data to plot. Please load data first.")
 
         energy = self._verify_energy(energy)
         if energy is None:
             energy = self._masked_energy
 
-        data = self.experiment.data['Q', self.Q_index]
+        data = self.experiment.data["Q", self.Q_index]
         model_array = self._create_sample_scipp_array(energy=energy)
 
         component_dataset = self._create_components_dataset_single_Q(
@@ -300,24 +275,26 @@ def plot_data_and_model(
 
         # Create a dataset containing the data, model, and individual
         # components for plotting.
-        data_and_model = sc.Dataset({
-            'Data': data,
-            'Model': model_array,
-        })
+        data_and_model = sc.Dataset(
+            {
+                "Data": data,
+                "Model": model_array,
+            }
+        )
 
         data_and_model = sc.merge(data_and_model, component_dataset)
         plot_kwargs_defaults = {
-            'title': self.display_name,
-            'linestyle': {'Data': 'none', 'Model': '-'},
-            'marker': {'Data': 'o', 'Model': 'none'},
-            'color': {'Data': 'black', 'Model': 'red'},
-            'markerfacecolor': {'Data': 'none', 'Model': 'none'},
+            "title": self.display_name,
+            "linestyle": {"Data": "none", "Model": "-"},
+            "marker": {"Data": "o", "Model": "none"},
+            "color": {"Data": "black", "Model": "red"},
+            "markerfacecolor": {"Data": "none", "Model": "none"},
         }
 
         if plot_components:
             for comp_name in component_dataset.keys():
-                plot_kwargs_defaults['linestyle'][comp_name] = '--'
-                plot_kwargs_defaults['marker'][comp_name] = None
+                plot_kwargs_defaults["linestyle"][comp_name] = "--"
+                plot_kwargs_defaults["marker"][comp_name] = None
 
         # Overwrite defaults with any user-provided kwargs
         plot_kwargs_defaults.update(kwargs)
@@ -343,7 +320,7 @@ def _require_Q_index(self) -> int:
             ValueError: If the Q index is not set.
         """
         if self._Q_index is None:
-            raise ValueError('Q_index must be set.')
+            raise ValueError("Q_index must be set.")
         return self._Q_index
 
     def _on_Q_index_changed(self) -> None:
@@ -366,16 +343,21 @@ def _verify_energy(self, energy: sc.Variable | None) -> sc.Variable | None:
         Returns:
             sc.Variable | None: The verified energy, or None if no
                 energy is provided.
+
+        Raises:
+            TypeError: If energy is not a sc.Variable or None.
         """
 
         if energy is not None and not isinstance(energy, sc.Variable):
-            raise TypeError(f'Energy must be a sc.Variable or None. Got {type(energy)}.')
+            raise TypeError(
+                f"Energy must be a sc.Variable or None. Got {type(energy)}."
+            )
         return energy
 
     def _calculate_energy_with_offset(
         self,
         energy: sc.Variable,
-        energy_offset: sc.Variable,
+        energy_offset: Parameter,
     ) -> sc.Variable:
         """Calculate the energy grid with the energy offset applied.
 
@@ -396,8 +378,8 @@ def _calculate_energy_with_offset(
                 energy_offset.convert_unit(str(energy.unit))
             except Exception as e:
                 raise sc.UnitError(
-                    f'Energy and energy offset must have compatible units. '
-                    f'Got {energy.unit} and {energy_offset.unit}.'
+                    f"Energy and energy offset must have compatible units. "
+                    f"Got {energy.unit} and {energy_offset.unit}."
                 ) from e
 
         energy_with_offset = energy.copy(deep=True)
@@ -431,21 +413,17 @@ def _evaluate_components(
         Args:
             components (ComponentCollection | ModelComponent): The
                 components to evaluate.
-            convolver (Convolution | None): An optional Convolution
+            convolver (Convolution | None, default=None): An optional Convolution
                 object to use for convolution. If None, a new
                 Convolution object will be created if convolve is True.
-            convolve (bool): Whether to perform convolution with the
+            convolve (bool, default=True): Whether to perform convolution with the
                 resolution. Default is True.
-            energy (sc.Variable | None): Optional energy grid to use for
+            energy (sc.Variable | None, default=None): Optional energy grid to use for
                 evaluation. If None, the energy grid from the experiment
                 is used.
 
         Returns:
             np.ndarray: The evaluated contribution of the components.
-
-        Raises:
-            UnitError: If the energy and energy offset have incompatible
-                units.
         """
 
         Q_index = self._require_Q_index()
@@ -477,7 +455,9 @@ def _evaluate_components(
         # performance is not important.
 
         # We don't create a convolver if the resolution is empty.
-        resolution = self.instrument_model.resolution_model.get_component_collection(Q_index)
+        resolution = self.instrument_model.resolution_model.get_component_collection(
+            Q_index
+        )
         if resolution.is_empty:
             return components.evaluate(energy_with_offset)
 
@@ -490,13 +470,16 @@ def _evaluate_components(
         )
         return conv.convolution()
 
-    def _evaluate_sample(self, energy: sc.Variable | None = None) -> np.ndarray:
+    def _evaluate_sample(
+        self,
+        energy: sc.Variable | None = None,
+    ) -> np.ndarray:
         """Evaluate the sample contribution for a given Q index.
 
         Assumes that self._convolver is up to date.
 
         Args:
-            energy (sc.Variable | None): Optional energy grid to use for
+            energy (sc.Variable | None, default=None): Optional energy grid to use for
                 evaluation. If None, the energy grid from the experiment
                 is used.
 
@@ -522,7 +505,7 @@ def _evaluate_sample_component(
         Args:
             component (ModelComponent): The sample component to
                 evaluate.
-            energy (sc.Variable | None): Optional energy grid to use for
+            energy (sc.Variable | None, default=None): Optional energy grid to use for
                 evaluation. If None, the energy grid from the experiment
                 is used.
 
@@ -540,7 +523,7 @@ def _evaluate_background(self, energy: sc.Variable | None = None) -> np.ndarray:
         """Evaluate the background contribution for the chosen Q index.
 
         Args:
-            energy (sc.Variable | None): Optional energy grid to use for
+            energy (sc.Variable | None, default=None): Optional energy grid to use for
                 evaluation. If None, the energy grid from the experiment
                 is used.
 
@@ -548,8 +531,10 @@ def _evaluate_background(self, energy: sc.Variable | None = None) -> np.ndarray:
             np.ndarray: The evaluated background contribution.
         """
         Q_index = self._require_Q_index()
-        background_components = self.instrument_model.background_model.get_component_collection(
-            Q_index=Q_index
+        background_components = (
+            self.instrument_model.background_model.get_component_collection(
+                Q_index=Q_index
+            )
         )
         return self._evaluate_components(
             components=background_components,
@@ -569,7 +554,7 @@ def _evaluate_background_component(
         Args:
             component (ModelComponent): The background component to
                 evaluate.
-            energy (sc.Variable | None): Optional energy grid to use for
+            energy (sc.Variable | None, default=None): Optional energy grid to use for
                 evaluation. If None, the energy grid from the experiment
                 is used.
 
@@ -593,7 +578,7 @@ def _create_convolver(
         available, return None.
 
         Args:
-            energy (sc.Variable | None): Optional energy grid to use for
+            energy (sc.Variable | None, default=None): Optional energy grid to use for
                 convolution. If None, the energy grid from the experiment
                 is used.
 
@@ -610,8 +595,8 @@ def _create_convolver(
         if sample_components.is_empty:
             return None
 
-        resolution_components = self.instrument_model.resolution_model.get_component_collection(
-            Q_index
+        resolution_components = (
+            self.instrument_model.resolution_model.get_component_collection(Q_index)
         )
         if resolution_components.is_empty:
             return None
@@ -640,10 +625,10 @@ def _create_component_scipp_array(
         background if it is not None.
 
         Args:
-            component (ModelComponent): The component to evaluate
-            background (np.ndarray | None): Optional background to add
+            component (ModelComponent): The component to evaluate.
+            background (np.ndarray | None, default=None): Optional background to add
                 to the component.
-            energy (sc.Variable | None): Optional energy grid to use for
+            energy (sc.Variable | None, default=None): Optional energy grid to use for
                 evaluation. If None, the energy grid from the experiment
                 is used.
 
@@ -665,7 +650,7 @@ def _create_background_component_scipp_array(
 
         Args:
             component (ModelComponent): The component to evaluate.
-            energy (sc.Variable | None): Optional energy grid to use for
+            energy (sc.Variable | None, default=None): Optional energy grid to use for
                 evaluation. If None, the energy grid from the experiment
                 is used.
 
@@ -679,12 +664,14 @@ def _create_background_component_scipp_array(
         )
         return self._to_scipp_array(values=values, energy=energy)
 
-    def _create_sample_scipp_array(self, energy: sc.Variable | None = None) -> sc.DataArray:
+    def _create_sample_scipp_array(
+        self, energy: sc.Variable | None = None
+    ) -> sc.DataArray:
         """Create a scipp DataArray for the full sample model including
         background.
 
         Args:
-            energy (sc.Variable | None): Optional energy grid to use for
+            energy (sc.Variable | None, default=None): Optional energy grid to use for
                 evaluation. If None, the energy grid from the experiment
                 is used.
 
@@ -704,8 +691,8 @@ def _create_components_dataset_single_Q(
         components.
 
         Args:
-            add_background (bool): Whether to add background components.
-            energy (sc.Variable | None): Optional energy grid to use for
+            add_background (bool, default=True): Whether to add background components.
+            energy (sc.Variable | None, default=None): Optional energy grid to use for
                 evaluation. If None, the energy grid from the experiment
                 is used.
 
@@ -718,22 +705,28 @@ def _create_components_dataset_single_Q(
             Q_index=self.Q_index
         ).components
 
-        background_components = self.instrument_model.background_model.get_component_collection(
-            Q_index=self.Q_index
-        ).components
+        background_components = (
+            self.instrument_model.background_model.get_component_collection(
+                Q_index=self.Q_index
+            ).components
+        )
 
         if energy is None:
             energy = self._masked_energy
 
-        background = self._evaluate_background(energy=energy) if add_background else None
+        background = (
+            self._evaluate_background(energy=energy) if add_background else None
+        )
 
         for component in sample_components:
             scipp_arrays[component.display_name] = self._create_component_scipp_array(
                 component=component, background=background, energy=energy
             )
         for component in background_components:
-            scipp_arrays[component.display_name] = self._create_background_component_scipp_array(
-                component=component, energy=energy
+            scipp_arrays[component.display_name] = (
+                self._create_background_component_scipp_array(
+                    component=component, energy=energy
+                )
             )
         return sc.Dataset(scipp_arrays)
 
@@ -747,6 +740,9 @@ def _to_scipp_array(
 
         Args:
             values (np.ndarray): The values to convert.
+            energy (sc.Variable | None, default=None): Optional energy grid to use for the
+                energy coordinate. If None, the energy grid from the
+                experiment is used.
 
         Returns:
             sc.DataArray: The converted sc.DataArray.
@@ -755,9 +751,9 @@ def _to_scipp_array(
         if energy is None:
             energy = self._masked_energy
         return sc.DataArray(
-            data=sc.array(dims=['energy'], values=values),
+            data=sc.array(dims=["energy"], values=values),
             coords={
-                'energy': energy,
-                'Q': self.Q[self.Q_index],
+                "energy": energy,
+                "Q": self.Q[self.Q_index],
             },
         )
diff --git a/src/easydynamics/analysis/analysis_base.py b/src/easydynamics/analysis/analysis_base.py
index 365b54fb2..9ab308f6d 100644
--- a/src/easydynamics/analysis/analysis_base.py
+++ b/src/easydynamics/analysis/analysis_base.py
@@ -1,6 +1,7 @@
 # SPDX-FileCopyrightText: 2026 EasyScience contributors <https://github.com/easyscience>
 # SPDX-License-Identifier: BSD-3-Clause
 
+import numpy as np
 import scipp as sc
 from easyscience.base_classes.model_base import ModelBase as EasyScienceModelBase
 from easyscience.variable import Parameter
@@ -19,43 +20,11 @@ class AnalysisBase(EasyScienceModelBase):
     SampleModel contains the model for the sample, and the
     InstrumentModel contains the model for the instrument, including
     background and resolution
-
-    Args:
-        display_name (str): Display name of the analysis.
-        unique_name (str or None): Unique name of the analysis. If None,
-            a unique name is automatically generated.
-        experiment (Experiment | None): The Experiment associated with
-            this Analysis. If None, a default Experiment is created.
-        sample_model (SampleModel | None): The SampleModel associated
-            with this Analysis. If None, a default SampleModel is
-            created.
-        instrument_model (InstrumentModel | None): The InstrumentModel
-            associated with this Analysis. If None, a default
-            InstrumentModel is created.
-        extra_parameters (Parameter | list[Parameter] | None): Extra
-            parameters to be included in the analysis for advanced
-            users. If None, no extra parameters are added.
-
-    Attributes:
-        experiment (Experiment): The Experiment associated with this
-            Analysis.
-        sample_model (SampleModel): The SampleModel associated with this
-            Analysis.
-        instrument_model (InstrumentModel): The InstrumentModel
-            associated with this Analysis.
-        Q (sc.Variable | None): The Q values from the associated
-            Experiment, if available.
-        energy (sc.Variable | None): The energy values from the
-            associated Experiment, if available.
-        temperature (Parameter | None): The temperature from the
-            associated SampleModel, if available.
-        extra_parameters (list[Parameter]): The extra parameters
-            included in this Analysis.
     """
 
     def __init__(
         self,
-        display_name: str = 'MyAnalysis',
+        display_name: str | None = "MyAnalysis",
         unique_name: str | None = None,
         experiment: Experiment | None = None,
         sample_model: SampleModel | None = None,
@@ -65,29 +34,28 @@ def __init__(
         """Initialize the AnalysisBase.
 
         Args:
-            display_name (str): Display name of the analysis.
-            unique_name (str or None): Unique name of the analysis. If
+            display_name (str | None, default='MyAnalysis'): Display name of the analysis.
+            unique_name (str | None, default=None): Unique name of the analysis. If
                 None, a unique name is automatically generated.
-            experiment (Experiment | None): The Experiment associated
+            experiment (Experiment | None, default=None): The Experiment associated
                 with this Analysis. If None, a default Experiment is
                 created.
-            sample_model (SampleModel | None): The SampleModel
+            sample_model (SampleModel | None, default=None): The SampleModel
                 associated with this Analysis. If None, a default
                 SampleModel is created.
-            instrument_model (InstrumentModel | None): The
+            instrument_model (InstrumentModel | None, default=None): The
                 InstrumentModel associated with this Analysis. If None,
                 a default InstrumentModel is created.
-            extra_parameters (Parameter | list[Parameter] | None): Extra
+            extra_parameters (Parameter | list[Parameter] | None, default=None): Extra
                 parameters to be included in the analysis for advanced
                 users. If None, no extra parameters are added.
 
         Raises:
-            TypeError: If experiment is not an Experiment or None.
-            TypeError: If sample_model is not a SampleModel or None.
-            TypeError: If instrument_model is not an InstrumentModel or
-                None.
-            TypeError: If extra_parameters is not a Parameter, a list of
-                Parameters, or None.
+            TypeError: If experiment is not an Experiment or None or
+                if sample_model is not a SampleModel or None or if
+                instrument_model is not an InstrumentModel or None or if
+                extra_parameters is not a Parameter, a list of Parameters,
+                or None.
         """
 
         super().__init__(display_name=display_name, unique_name=unique_name)
@@ -97,21 +65,23 @@ def __init__(
         elif isinstance(experiment, Experiment):
             self._experiment = experiment
         else:
-            raise TypeError('experiment must be an instance of Experiment or None.')
+            raise TypeError("experiment must be an instance of Experiment or None.")
 
         if sample_model is None:
             self._sample_model = SampleModel()
         elif isinstance(sample_model, SampleModel):
             self._sample_model = sample_model
         else:
-            raise TypeError('sample_model must be an instance of SampleModel or None.')
+            raise TypeError("sample_model must be an instance of SampleModel or None.")
 
         if instrument_model is None:
             self._instrument_model = InstrumentModel()
         elif isinstance(instrument_model, InstrumentModel):
             self._instrument_model = instrument_model
         else:
-            raise TypeError('instrument_model must be an instance of InstrumentModel or None.')
+            raise TypeError(
+                "instrument_model must be an instance of InstrumentModel or None."
+            )
 
         if extra_parameters is not None:
             if isinstance(extra_parameters, Parameter):
@@ -121,7 +91,9 @@ def __init__(
             ):
                 self._extra_parameters = extra_parameters
             else:
-                raise TypeError('extra_parameters must be a Parameter or a list of Parameters.')
+                raise TypeError(
+                    "extra_parameters must be a Parameter or a list of Parameters."
+                )
         else:
             self._extra_parameters = []
 
@@ -145,12 +117,15 @@ def experiment(self) -> Experiment:
     def experiment(self, value: Experiment) -> None:
         """Set the Experiment for this Analysis.
 
+        Args:
+            value (Experiment): The Experiment to set for this Analysis.
+
         Raises:
             TypeError: if value is not an Experiment.
         """
 
         if not isinstance(value, Experiment):
-            raise TypeError('experiment must be an instance of Experiment')
+            raise TypeError("experiment must be an instance of Experiment")
         self._experiment = value
         self._on_experiment_changed()
 
@@ -168,11 +143,14 @@ def sample_model(self) -> SampleModel:
     def sample_model(self, value: SampleModel) -> None:
         """Set the SampleModel for this Analysis.
 
+        Args:
+            value (SampleModel): The SampleModel to set for this Analysis.
+
         Raises:
             TypeError: if value is not a SampleModel.
         """
         if not isinstance(value, SampleModel):
-            raise TypeError('sample_model must be an instance of SampleModel')
+            raise TypeError("sample_model must be an instance of SampleModel")
         self._sample_model = value
         self._on_sample_model_changed()
 
@@ -190,11 +168,15 @@ def instrument_model(self) -> InstrumentModel:
     def instrument_model(self, value: InstrumentModel) -> None:
         """Set the InstrumentModel for this Analysis.
 
+        Args:
+            value (InstrumentModel): The InstrumentModel to set for this
+                Analysis.
+
         Raises:
             TypeError: if value is not an InstrumentModel.
         """
         if not isinstance(value, InstrumentModel):
-            raise TypeError('instrument_model must be an instance of InstrumentModel')
+            raise TypeError("instrument_model must be an instance of InstrumentModel")
         self._instrument_model = value
         self._on_instrument_model_changed()
 
@@ -204,21 +186,24 @@ def Q(self) -> sc.Variable | None:
         available.
 
         Returns:
-            sc.Variable: The Q values from the associated Experiment,
-                if available.
-            None: If the Experiment does not have any data.
+            sc.Variable | None: The Q values from the associated Experiment,
+                if available, and None if not.
         """
         return self.experiment.Q
 
     @Q.setter
-    def Q(self, value) -> None:
+    def Q(self, value: sc.Variable) -> None:
         """Q cannot be set, as it is a read-only property derived from
         the Experiment.
 
+        Args:
+            value (sc.Variable): The Q values to set. This argument is
+                ignored, as Q is a read-only property.
+
         Raises:
             AttributeError: If trying to set Q.
         """
-        raise AttributeError('Q is a read-only property derived from the Experiment.')
+        raise AttributeError("Q is a read-only property derived from the Experiment.")
 
     @property
     def energy(self) -> sc.Variable | None:
@@ -226,23 +211,28 @@ def energy(self) -> sc.Variable | None:
         available.
 
         Returns:
-            sc.Variable: The energy values from the associated
-            Experiment, if available.
-            None: If the Experiment does not have any data.
+            sc.Variable | None: The energy values from the associated
+            Experiment, if available, and None if not.
         """
 
         return self.experiment.energy
 
     @energy.setter
-    def energy(self, value) -> None:
+    def energy(self, value: sc.Variable) -> None:
         """Energy cannot be set, as it is a read-only property derived
         from the Experiment.
 
+        Args:
+            value (sc.Variable): The energy values to set. This argument is
+                ignored, as energy is a read-only property.
+
         Raises:
             AttributeError: If trying to set energy.
         """
 
-        raise AttributeError('energy is a read-only property derived from the Experiment.')
+        raise AttributeError(
+            "energy is a read-only property derived from the Experiment."
+        )
 
     @property
     def temperature(self) -> Parameter | None:
@@ -250,23 +240,28 @@ def temperature(self) -> Parameter | None:
         available.
 
         Returns:
-            Parameter: The temperature from the associated SampleModel,
-            if available.
-            None: If the SampleModel does not have a temperature.
+            Parameter | None: The temperature from the associated SampleModel,
+            if available, and None if not.
         """
 
         return self.sample_model.temperature
 
     @temperature.setter
-    def temperature(self, value) -> None:
+    def temperature(self, value: np.ndarray | Parameter) -> None:
         """Temperature cannot be set, as it is a read-only property
         derived from the SampleModel.
 
+        Args:
+            value (np.ndarray | Parameter): The temperature to set. This argument is
+                ignored, as temperature is a read-only property.
+
         Raises:
             AttributeError: If trying to set temperature.
         """
 
-        raise AttributeError('temperature is a read-only property derived from the SampleModel.')
+        raise AttributeError(
+            "temperature is a read-only property derived from the SampleModel."
+        )
 
     @property
     def extra_parameters(self) -> list[Parameter]:
@@ -288,7 +283,7 @@ def extra_parameters(self, value: Parameter | list[Parameter]) -> None:
 
         Raises:
             TypeError: If value is not a Parameter, a list of
-            Parameters, or None.
+                Parameters, or None.
         """
         if isinstance(value, Parameter):
             self._extra_parameters = [value]
@@ -297,7 +292,9 @@ def extra_parameters(self, value: Parameter | list[Parameter]) -> None:
         elif value is None:
             self._extra_parameters = []
         else:
-            raise TypeError('extra_parameters must be a Parameter, a list of Parameters, or None.')
+            raise TypeError(
+                "extra_parameters must be a Parameter, a list of Parameters, or None."
+            )
 
     #############
     # Other methods
@@ -344,7 +341,7 @@ def _verify_Q_index(self, Q_index: int | None) -> int | None:
                 or Q_index < 0
                 or (self.Q is not None and Q_index >= len(self.Q))
             ):
-                raise IndexError('Q_index must be a valid index for the Q values.')
+                raise IndexError("Q_index must be a valid index for the Q values.")
         return Q_index
 
     #############
@@ -357,5 +354,5 @@ def __repr__(self) -> str:
         Returns:
             str: A string representation of the Analysis.
         """
-        return f' {self.__class__.__name__}  (display_name={self.display_name}, \
-        unique_name={self.unique_name})'
+        return f" {self.__class__.__name__}  (display_name={self.display_name}, \
+        unique_name={self.unique_name})"
diff --git a/src/easydynamics/convolution/analytical_convolution.py b/src/easydynamics/convolution/analytical_convolution.py
index 534b4d7a6..5c4b79183 100644
--- a/src/easydynamics/convolution/analytical_convolution.py
+++ b/src/easydynamics/convolution/analytical_convolution.py
@@ -22,35 +22,23 @@ class AnalyticalConvolution(ConvolutionBase):
 
     Possible analytical convolutions are any combination of
     delta functions, Gaussians, Lorentzians and Voigt profiles.
-
-    Args:
-        energy (np.ndarray | sc.Variable): 1D array of energy values
-            where the convolution is evaluated.
-        sample_components (ComponentCollection | ModelComponent): The
-            sample model to be convolved.
-        resolution_components (ComponentCollection | ModelComponent):
-            The resolution model to convolve with.
-        energy_offset (Numeric | Parameter, optional): An offset to
-            shift the energy values by. Default is 0.0.
-        energy_unit (str | sc.Unit, optional): The unit of the energy.
-            Default is 'meV'.
     """
 
     # Mapping of supported component type pairs to convolution methods.
     # Delta functions are handled separately.
     _CONVOLUTIONS = {
-        ('Gaussian', 'Gaussian'): '_convolute_gaussian_gaussian',
-        ('Gaussian', 'Lorentzian'): '_convolute_gaussian_lorentzian',
-        ('Gaussian', 'Voigt'): '_convolute_gaussian_voigt',
-        ('Lorentzian', 'Lorentzian'): '_convolute_lorentzian_lorentzian',
-        ('Lorentzian', 'Voigt'): '_convolute_lorentzian_voigt',
-        ('Voigt', 'Voigt'): '_convolute_voigt_voigt',
+        ("Gaussian", "Gaussian"): "_convolute_gaussian_gaussian",
+        ("Gaussian", "Lorentzian"): "_convolute_gaussian_lorentzian",
+        ("Gaussian", "Voigt"): "_convolute_gaussian_voigt",
+        ("Lorentzian", "Lorentzian"): "_convolute_lorentzian_lorentzian",
+        ("Lorentzian", "Voigt"): "_convolute_lorentzian_voigt",
+        ("Voigt", "Voigt"): "_convolute_voigt_voigt",
     }
 
     def __init__(
         self,
         energy: np.ndarray | sc.Variable,
-        energy_unit: str | sc.Unit = 'meV',
+        energy_unit: str | sc.Unit = "meV",
         sample_components: ComponentCollection | ModelComponent | None = None,
         resolution_components: ComponentCollection | ModelComponent | None = None,
         energy_offset: Numeric | Parameter = 0.0,
@@ -60,14 +48,14 @@ def __init__(
         Args:
             energy (np.ndarray | sc.Variable): 1D array of energy values
                 where the convolution is evaluated.
-            sample_components (ComponentCollection | ModelComponent):
+            energy_unit (str | sc.Unit, default='meV'): The unit of the
+                energy.
+            sample_components (ComponentCollection | ModelComponent | None, default=None):
                 The sample model to be convolved.
-            resolution_components (ComponentCollection | ModelComponent):
+            resolution_components (ComponentCollection | ModelComponent | None, default=None):
                 The resolution model to convolve with.
-            energy_offset (Numeric | Parameter, optional): An offset to
-                shift the energy values by. Default is 0.0.
-            energy_unit (str | sc.Unit, optional): The unit of the
-                energy. Default is 'meV'.
+            energy_offset (Numeric | Parameter, default=0.0): An offset to
+                shift the energy values by.
         """
         super().__init__(
             energy=energy,
@@ -88,12 +76,6 @@ def convolution(
         Returns:
             np.ndarray: The convolution of the sample_components and
                 resolution_components values evaluated at self.energy.
-
-        Raises:
-            ValueError: If resolution_components contains delta
-                functions.
-            ValueError: If component pair cannot be handled
-                analytically.
         """
 
         sample_components = self.sample_components.components
@@ -164,8 +146,8 @@ def _convolute_analytic_pair(
 
         if isinstance(resolution_component, DeltaFunction):
             raise ValueError(
-                'Analytical convolution with a delta function \
-                    in the resolution model is not supported.'
+                "Analytical convolution with a delta function \
+                    in the resolution model is not supported."
             )
 
         # Delta function + anything -->
@@ -191,8 +173,8 @@ def _convolute_analytic_pair(
 
         if func_name is None:
             raise ValueError(
-                f'Analytical convolution not supported for component pair: '
-                f'{type(sample_component).__name__}, {type(resolution_component).__name__}'
+                f"Analytical convolution not supported for component pair: "
+                f"{type(sample_component).__name__}, {type(resolution_component).__name__}"
             )
 
         # Call the corresponding method
@@ -205,7 +187,7 @@ def _convolute_delta_any(
         self,
         sample_component: DeltaFunction,
         resolution_components: ComponentCollection | ModelComponent,
-    ):
+    ) -> np.ndarray:
         """Convolution of delta function with any ModelComponent or
         ComponentCollection results in the same component or
         ComponentCollection shifted by the delta center. The areas are
@@ -243,7 +225,9 @@ def _convolute_gaussian_gaussian(
             np.ndarray: The evaluated convolution values at self.energy.
         """
 
-        width = np.sqrt(sample_component.width.value**2 + resolution_component.width.value**2)
+        width = np.sqrt(
+            sample_component.width.value**2 + resolution_component.width.value**2
+        )
 
         area = sample_component.area.value * resolution_component.area.value
 
@@ -302,7 +286,8 @@ def _convolute_gaussian_voigt(
         center = sample_component.center.value + resolution_component.center.value
 
         gaussian_width = np.sqrt(
-            sample_component.width.value**2 + resolution_component.gaussian_width.value**2
+            sample_component.width.value**2
+            + resolution_component.gaussian_width.value**2
         )
 
         lorentzian_width = resolution_component.lorentzian_width.value
@@ -404,11 +389,13 @@ def _convolute_voigt_voigt(
         center = sample_component.center.value + resolution_component.center.value
 
         gaussian_width = np.sqrt(
-            sample_component.gaussian_width.value**2 + resolution_component.gaussian_width.value**2
+            sample_component.gaussian_width.value**2
+            + resolution_component.gaussian_width.value**2
         )
 
         lorentzian_width = (
-            sample_component.lorentzian_width.value + resolution_component.lorentzian_width.value
+            sample_component.lorentzian_width.value
+            + resolution_component.lorentzian_width.value
         )
         return self._voigt_eval(
             area=area,
diff --git a/src/easydynamics/convolution/convolution.py b/src/easydynamics/convolution/convolution.py
index 65bbf9ec8..c8461d74f 100644
--- a/src/easydynamics/convolution/convolution.py
+++ b/src/easydynamics/convolution/convolution.py
@@ -32,64 +32,21 @@ class Convolution(NumericalConvolutionBase):
     Includes optional upsampling and extended range to improve accuracy
     of the numerical convolutions. Also warns about numerical
     instabilities if peaks are very wide or very narrow.
-
-    Args:
-        energy (np.ndarray | scipp.Variable): 1D array of energy values
-            where the convolution is evaluated.
-        sample_components (ComponentCollection | ModelComponent): The
-            sample components to be convolved.
-        resolution_components (ComponentCollection | ModelComponent):
-            The resolution components to convolve with.
-        upsample_factor (int | None): The factor by which to upsample
-            the input data before convolution. Default is 5.
-        extension_factor (float | None): The factor by which to
-            extend the input data range before convolution. Default is
-            0.2.
-        temperature (Parameter | float | None): The
-            temperature to use for detailed balance correction. Default
-            is None.
-        temperature_unit (str | sc.Unit | None): The unit of the
-            temperature parameter. Default is 'K'.
-        energy_unit (str | sc.Unit | None): The unit of the energy.
-            Default is 'meV'.
-        normalize_detailed_balance (bool | None): Whether to
-            normalize the detailed balance correction. Default is True.
-
-    Attributes:
-        energy (scipp.Variable): 1D array of energy values where the
-            convolution is evaluated.
-        sample_components (ComponentCollection): The sample components
-            to be convolved.
-        resolution_components (ComponentCollection): The resolution
-            components to convolve with.
-        energy_offset (Parameter): Energy offset to apply to the energy
-            values before convolution.
-        upsample_factor (int): The factor by which to upsample the input
-            data before convolution.
-        extension_factor (float): The factor by which to extend the
-            input data range before convolution.
-        temperature (Parameter | None): The temperature to use for
-            detailed balance correction.
-        temperature_unit (str | sc.Unit): The unit of the temperature
-            parameter.
-        energy_unit (str | sc.Unit): The unit of the energy.
-        normalize_detailed_balance (bool): Whether to normalize the
-            detailed balance correction.
     """
 
     # When these attributes are changed, the convolution plan
     # needs to be rebuilt
     _invalidate_plan_on_change = {
-        'energy',
-        '_energy',
-        '_energy_grid',
-        '_sample_components',
-        '_resolution_components',
-        '_temperature',
-        '_upsample_factor',
-        '_extension_factor',
-        '_energy_unit',
-        '_normalize_detailed_balance',
+        "energy",
+        "_energy",
+        "_energy_grid",
+        "_sample_components",
+        "_resolution_components",
+        "_temperature",
+        "_upsample_factor",
+        "_extension_factor",
+        "_energy_unit",
+        "_normalize_detailed_balance",
     }
 
     def __init__(
@@ -98,36 +55,38 @@ def __init__(
         sample_components: ComponentCollection | ModelComponent,
         resolution_components: ComponentCollection | ModelComponent,
         energy_offset: Numeric | Parameter = 0.0,
-        upsample_factor: Numeric = 5,
-        extension_factor: Numeric = 0.2,
+        upsample_factor: Numeric | None = 5,
+        extension_factor: Numeric | None = 0.2,
         temperature: Parameter | Numeric | None = None,
-        temperature_unit: str | sc.Unit = 'K',
-        energy_unit: str | sc.Unit = 'meV',
+        temperature_unit: str | sc.Unit = "K",
+        energy_unit: str | sc.Unit = "meV",
         normalize_detailed_balance: bool = True,
     ) -> None:
         """Initialize the Convolution class.
 
         Args:
-            energy (np.ndarray | scipp.Variable): 1D array of energy
+            energy (np.ndarray | sc.Variable): 1D array of energy
                 values where the convolution is evaluated.
             sample_components (ComponentCollection | ModelComponent):
                 The  sample components to be convolved.
             resolution_components (ComponentCollection | ModelComponent):
                 The resolution components to convolve with.
-            upsample_factor (int | None): The factor by which to
+            energy_offset (Numeric | Parameter, default=0.0): An energy
+                offset to apply to the energy values before convolution.
+            upsample_factor (Numeric | None, default=5): The factor by which to
                 upsample the input data before convolution. Default is
                 5.
-            extension_factor (float | None): The factor by which to
+            extension_factor (Numeric | None, default=0.2): The factor by which to
                 extend the input data range before convolution. Default
                 is 0.2.
-            temperature (Parameter | float | None): The
+            temperature (Parameter | Numeric | None, default=None): The
                 temperature to use for detailed balance correction.
                 Default is None.
-            temperature_unit (str | sc.Unit | None): The unit of the
+            temperature_unit (str | sc.Unit, default='K'): The unit of the
                 temperature parameter. Default is 'K'.
-            energy_unit (str | sc.Unit | None): The unit of the energy.
+            energy_unit (str | sc.Unit, default='meV'): The unit of the energy.
                 Default is 'meV'.
-            normalize_detailed_balance (bool | None): Whether to
+            normalize_detailed_balance (bool, default=True): Whether to
                 normalize the detailed balance correction. Default is
                 True.
         """
@@ -216,23 +175,27 @@ def _check_if_pair_is_analytic(
         Returns:
             bool: True if the component pair can be handled
                 analytically, False otherwise.
+
+        Raises:
+            TypeError: If either component is not a ModelComponent, or if
+                the resolution component is a DeltaFunction.
         """
 
         if not isinstance(sample_component, ModelComponent):
             raise TypeError(
-                f'`sample_component` is an instance of {type(sample_component).__name__}, \
-                but must be a ModelComponent.'
+                f"`sample_component` is an instance of {type(sample_component).__name__}, \
+                but must be a ModelComponent."
             )
 
         if not isinstance(resolution_component, ModelComponent):
             raise TypeError(
-                f'`resolution_component` is an instance of {type(resolution_component).__name__}, \
-                    but must be a ModelComponent.'
+                f"`resolution_component` is an instance of {type(resolution_component).__name__}, \
+                    but must be a ModelComponent."
             )
 
         if isinstance(resolution_component, DeltaFunction):
             raise TypeError(
-                'resolution components contains delta functions. This is not supported.'
+                "resolution components contains delta functions. This is not supported."
             )
 
         analytical_types = (Gaussian, Lorentzian, Voigt)
@@ -271,7 +234,9 @@ def _build_convolution_plan(self) -> None:
             pair_is_analytic = []
             for resolution_component in self._resolution_components.components:
                 pair_is_analytic.append(
-                    self._check_if_pair_is_analytic(sample_component, resolution_component)
+                    self._check_if_pair_is_analytic(
+                        sample_component, resolution_component
+                    )
                 )
             # If all resolution components can be convolved analytically
             # with this sample component, add it to analytical
@@ -323,17 +288,24 @@ def _set_convolvers(self) -> None:
             self._numerical_convolver = None
 
     # Update some setters so the internal sample models are updated
-    def __setattr__(self, name, value) -> None:
+    def __setattr__(self, name: str, value: any) -> None:
         """Custom setattr to invalidate convolution plan on relevant
         attribute changes, and build a new plan.
 
         The new plan is only built after initialization (when
         _reactions_enabled is True) to avoid issues during __init__.
+
+        Args:
+            name (str): The name of the attribute to set.
+            value (any): The value to set the attribute to.
         """
         super().__setattr__(name, value)
 
         if name in self._invalidate_plan_on_change:
             self._convolution_plan_is_valid = False
 
-        if getattr(self, '_reactions_enabled', False) and name in self._invalidate_plan_on_change:
+        if (
+            getattr(self, "_reactions_enabled", False)
+            and name in self._invalidate_plan_on_change
+        ):
             self._build_convolution_plan()
diff --git a/src/easydynamics/convolution/convolution_base.py b/src/easydynamics/convolution/convolution_base.py
index 7972681e5..c5af8fe97 100644
--- a/src/easydynamics/convolution/convolution_base.py
+++ b/src/easydynamics/convolution/convolution_base.py
@@ -13,82 +13,59 @@
 class ConvolutionBase:
     """Base class for convolutions of sample and resolution models. This
     base class has no convolution functionality.
-
-    Args:
-        energy (np.ndarray | scipp.Variable): 1D array of energy values
-            where the convolution is evaluated.
-        sample_components (ComponentCollection | ModelComponent): The
-            sample model to be convolved.
-        resolution_components (ComponentCollection | ModelComponent):
-            The resolution model to convolve with.
-        energy_unit (str | sc.Unit, optional): The unit of the energy.
-            Default is 'meV'.
-        energy_offset (Numeric | Parameter, optional): The energy offset
-            applied to the convolution. Default is 0.0.
-
-    Attributes:
-        energy (scipp.Variable): 1D array of energy values where the
-            convolution is evaluated
-        sample_components (ComponentCollection | ModelComponent): The
-            sample model to be convolved.
-        resolution_components (ComponentCollection | ModelComponent):
-            The resolution model to convolve with.
-        energy_unit (str | sc.Unit): The unit of the energy.
-        energy_offset (Parameter): The energy offset applied to the
-            convolution.
     """
 
     def __init__(
         self,
         energy: np.ndarray | sc.Variable,
-        sample_components: ComponentCollection | ModelComponent = None,
-        resolution_components: ComponentCollection | ModelComponent = None,
-        energy_unit: str | sc.Unit = 'meV',
+        sample_components: ComponentCollection | ModelComponent | None = None,
+        resolution_components: ComponentCollection | ModelComponent | None = None,
+        energy_unit: str | sc.Unit = "meV",
         energy_offset: Numeric | Parameter = 0.0,
     ) -> None:
         """Initialize the ConvolutionBase.
 
         Args:
-            energy (np.ndarray | scipp.Variable): 1D array of energy
+            energy (np.ndarray | sc.Variable): 1D array of energy
                 values where the convolution is evaluated.
-            sample_components (ComponentCollection | ModelComponent):
+            sample_components (ComponentCollection | ModelComponent | None, default=None):
                 The sample model to be convolved.
-            resolution_components (ComponentCollection | ModelComponent):
+            resolution_components (ComponentCollection | ModelComponent | None, default=None):
                 The resolution model to convolve with.
-            energy_unit (str | sc.Unit, optional): The unit of the
-                energy. Default is 'meV'.
-            energy_offset (Numeric | Parameter, optional): The energy
+            energy_unit (str | sc.Unit, default='meV'): The unit of the
+                energy.
+            energy_offset (Numeric | Parameter, default=0.0): The energy
                 offset applied to the convolution. Default is 0.0.
 
         Raises:
             TypeError: If energy is not a numpy ndarray or a scipp
-                Variable.
-            TypeError: If energy_unit is not a string or scipp unit.
-            TypeError: If energy_offset is not a number or a Parameter.
-            TypeError: If sample_components is not a ComponentCollection
-                or ModelComponent.
-            TypeError: If resolution_components is not a
-                ComponentCollection or ModelComponent.
+                Variable or if energy_unit is not a string or scipp unit, or if
+                energy_offset is not a number or a Parameter, or if
+                sample_components is not a ComponentCollection or ModelComponent, or if
+                resolution_components is not a ComponentCollection or ModelComponent.
+
         """
         if isinstance(energy, Numeric):
             energy = np.array([float(energy)])
 
         if not isinstance(energy, (np.ndarray, sc.Variable)):
-            raise TypeError(f'Energy must be a numpy ndarray or a scipp Variable. Got {energy}')
+            raise TypeError(
+                f"Energy must be a numpy ndarray or a scipp Variable. Got {energy}"
+            )
 
         if not isinstance(energy_unit, (str, sc.Unit)):
-            raise TypeError('Energy_unit must be a string or sc.Unit.')
+            raise TypeError("Energy_unit must be a string or sc.Unit.")
 
         if isinstance(energy, np.ndarray):
-            energy = sc.array(dims=['energy'], values=energy, unit=energy_unit)
+            energy = sc.array(dims=["energy"], values=energy, unit=energy_unit)
 
         if isinstance(energy_offset, Numeric):
             energy_offset = Parameter(
-                name='energy_offset', value=float(energy_offset), unit=energy_unit
+                name="energy_offset", value=float(energy_offset), unit=energy_unit
             )
 
         if not isinstance(energy_offset, Parameter):
-            raise TypeError('Energy_offset must be a number or a Parameter.')
+            raise TypeError("Energy_offset must be a number or a Parameter.")
 
         self._energy = energy
         self._energy_unit = energy_unit
@@ -99,7 +76,7 @@ def __init__(
             or isinstance(sample_components, ModelComponent)
         ):
             raise TypeError(
-                f'`sample_components` is an instance of {type(sample_components).__name__}, but must be a ComponentCollection or ModelComponent.'  # noqa: E501
+                f"`sample_components` is an instance of {type(sample_components).__name__}, but must be a ComponentCollection or ModelComponent."  # noqa: E501
             )
         if isinstance(sample_components, ModelComponent):
             sample_components = ComponentCollection(components=[sample_components])
@@ -110,10 +87,12 @@ def __init__(
             or isinstance(resolution_components, ModelComponent)
         ):
             raise TypeError(
-                f'`resolution_components` is an instance of {type(resolution_components).__name__}, but must be a ComponentCollection or ModelComponent.'  # noqa: E501
+                f"`resolution_components` is an instance of {type(resolution_components).__name__}, but must be a ComponentCollection or ModelComponent."  # noqa: E501
             )
         if isinstance(resolution_components, ModelComponent):
-            resolution_components = ComponentCollection(components=[resolution_components])
+            resolution_components = ComponentCollection(
+                components=[resolution_components]
+            )
         self._resolution_components = resolution_components
 
     @property
@@ -130,14 +109,14 @@ def energy_offset(self, energy_offset: Numeric | Parameter) -> None:
         """Set the energy offset.
 
         Args:
-            energy_offset : Number or Parameter
-                The energy offset to apply to the convolution.
+            energy_offset (Numeric | Parameter): The energy offset to
+                apply to the convolution.
 
         Raises:
             TypeError: If energy_offset is not a number or a Parameter.
         """
         if not isinstance(energy_offset, Parameter | Numeric):
-            raise TypeError('Energy_offset must be a number or a Parameter.')
+            raise TypeError("Energy_offset must be a number or a Parameter.")
 
         if isinstance(energy_offset, Numeric):
             self._energy_offset.value = float(energy_offset)
@@ -157,19 +136,19 @@ def energy_with_offset(self) -> sc.Variable:
         return energy_with_offset
 
     @energy_with_offset.setter
-    def energy_with_offset(self, value) -> None:
+    def energy_with_offset(self, value: sc.Variable) -> None:
         """Energy with offset is a read-only property derived from
         energy and energy_offset.
 
         Args:
-            value: The value to set (ignored).
+            value (sc.Variable): The value to set (ignored).
 
         Raises:
             AttributeError: Always raised since energy_with_offset is
                 read-only.
         """
         raise AttributeError(
-            'Energy with offset is a read-only property derived from energy and energy_offset.'
+            "Energy with offset is a read-only property derived from energy and energy_offset."
         )
 
     @property
@@ -187,8 +166,8 @@ def energy(self) -> sc.Variable:
     def energy(self, energy: np.ndarray | sc.Variable) -> None:
         """Set the energy.
 
-         Args:
-            energy (np.ndarray | scipp.Variable): 1D array of energy
+        Args:
+            energy (np.ndarray | sc.Variable): 1D array of energy
                 values where the convolution is evaluated.
 
         Raises:
@@ -200,10 +179,14 @@ def energy(self, energy: np.ndarray | sc.Variable) -> None:
             energy = np.array([float(energy)])
 
         if not isinstance(energy, (np.ndarray, sc.Variable)):
-            raise TypeError('Energy must be a Number, a numpy ndarray or a scipp Variable.')
+            raise TypeError(
+                "Energy must be a Number, a numpy ndarray or a scipp Variable."
+            )
 
         if isinstance(energy, np.ndarray):
-            self._energy = sc.array(dims=['energy'], values=energy, unit=self._energy.unit)
+            self._energy = sc.array(
+                dims=["energy"], values=energy, unit=self._energy.unit
+            )
 
         if isinstance(energy, sc.Variable):
             self._energy = energy
@@ -222,8 +205,8 @@ def energy_unit(self) -> str:
     def energy_unit(self, unit_str: str) -> None:
         raise AttributeError(
             (
-                f'Unit is read-only. Use convert_unit to change the unit between allowed types '
-                f'or create a new {self.__class__.__name__} with the desired unit.'
+                f"Unit is read-only. Use convert_unit to change the unit between allowed types "
+                f"or create a new {self.__class__.__name__} with the desired unit."
             )
         )  # noqa: E501
 
@@ -235,11 +218,11 @@ def convert_energy_unit(self, energy_unit: str | sc.Unit) -> None:
 
         Raises:
             TypeError: If energy_unit is not a string or scipp unit.
-            UnitError: If energy cannot be converted to the specified
+            Exception: If energy cannot be converted to the specified
                 unit.
         """
         if not isinstance(energy_unit, (str, sc.Unit)):
-            raise TypeError('Energy unit must be a string or scipp unit.')
+            raise TypeError("Energy unit must be a string or scipp unit.")
 
         old_energy = self.energy.copy()
         try:
@@ -262,17 +245,19 @@ def sample_components(self) -> ComponentCollection | ModelComponent:
         """Get the sample model.
 
         Returns:
-            ComponentCollection or ModelComponent: The sample model to
+            ComponentCollection | ModelComponent: The sample model to
                 be convolved.
         """
         return self._sample_components
 
     @sample_components.setter
-    def sample_components(self, sample_components: ComponentCollection | ModelComponent) -> None:
+    def sample_components(
+        self, sample_components: ComponentCollection | ModelComponent
+    ) -> None:
         """Set the sample model.
 
         Args:
-            sample_components : ComponentCollection or ModelComponent
+            sample_components (ComponentCollection | ModelComponent):
                 The sample model to be convolved.
 
         Raises:
@@ -281,7 +266,7 @@ def sample_components(self, sample_components: ComponentCollection | ModelCompon
         """
         if not isinstance(sample_components, (ComponentCollection, ModelComponent)):
             raise TypeError(
-                f'`sample_components` is an instance of {type(sample_components).__name__}, but must be a ComponentCollection or ModelComponent.'  # noqa: E501
+                f"`sample_components` is an instance of {type(sample_components).__name__}, but must be a ComponentCollection or ModelComponent."  # noqa: E501
             )
 
         if isinstance(sample_components, ModelComponent):
@@ -293,7 +278,7 @@ def resolution_components(self) -> ComponentCollection | ModelComponent:
         """Get the resolution model.
 
         Returns:
-            ComponentCollection or ModelComponent: The resolution model
+            ComponentCollection | ModelComponent: The resolution model
                 to be convolved.
         """
         return self._resolution_components
@@ -305,9 +290,9 @@ def resolution_components(
         """Set the resolution model.
 
         Args:
-            resolution_components (ComponentCollection | ModelComponent)
-            : The resolution model to be convolved. Can be a
-            ComponentCollection or a single ModelComponent
+            resolution_components (ComponentCollection | ModelComponent):
+                The resolution model to be convolved. Can be a
+                ComponentCollection or a single ModelComponent
 
         Raises:
             TypeError: If resolution_components is not a
@@ -315,9 +300,11 @@ def resolution_components(
         """
         if not isinstance(resolution_components, (ComponentCollection, ModelComponent)):
             raise TypeError(
-                f'`resolution_components` is an instance of {type(resolution_components).__name__}, but must be a ComponentCollection or ModelComponent.'  # noqa: E501
+                f"`resolution_components` is an instance of {type(resolution_components).__name__}, but must be a ComponentCollection or ModelComponent."  # noqa: E501
             )
 
         if isinstance(resolution_components, ModelComponent):
-            resolution_components = ComponentCollection(components=[resolution_components])
+            resolution_components = ComponentCollection(
+                components=[resolution_components]
+            )
         self._resolution_components = resolution_components

From b79f3b09014bd719592e500fb2cf54b74411fe7e Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Mon, 16 Mar 2026 11:32:48 +0100
Subject: [PATCH 28/31] pixi run fix

---
 pixi.lock                                     |  4 +-
 pyproject.toml                                | 24 ++---
 src/easydynamics/analysis/analysis.py         | 96 +++++++++----------
 src/easydynamics/analysis/analysis1d.py       | 90 ++++++++---------
 src/easydynamics/analysis/analysis_base.py    | 40 +++-----
 .../convolution/analytical_convolution.py     | 39 ++++----
 src/easydynamics/convolution/convolution.py   | 52 +++++-----
 .../convolution/convolution_base.py           | 58 +++++------
 .../convolution/numerical_convolution.py      | 24 ++---
 .../convolution/numerical_convolution_base.py | 74 +++++++-------
 src/easydynamics/experiment/experiment.py     | 82 +++++++---------
 .../sample_model/background_model.py          |  4 +-
 .../sample_model/component_collection.py      | 96 ++++++++-----------
 .../components/damped_harmonic_oscillator.py  | 36 +++----
 .../sample_model/components/delta_function.py | 20 ++--
 .../sample_model/components/exponential.py    | 38 ++++----
 .../sample_model/components/gaussian.py       | 24 ++---
 .../sample_model/components/lorentzian.py     | 28 +++---
 .../sample_model/components/mixins.py         | 34 +++----
 .../components/model_component.py             | 38 ++++----
 .../sample_model/components/polynomial.py     | 50 ++++------
 .../brownian_translational_diffusion.py       |  3 +-
 .../diffusion_model/diffusion_model_base.py   |  3 +-
 .../jump_translational_diffusion.py           |  7 +-
 src/easydynamics/sample_model/sample_model.py |  8 +-
 src/easydynamics/utils/detailed_balance.py    | 16 +++-
 26 files changed, 439 insertions(+), 549 deletions(-)

diff --git a/pixi.lock b/pixi.lock
index f977d25a5..f827c396e 100644
--- a/pixi.lock
+++ b/pixi.lock
@@ -4074,8 +4074,8 @@ packages:
   requires_python: '>=3.5'
 - pypi: ./
   name: easydynamics
-  version: 0.2.1+devdirty13
-  sha256: e9e7b1f27a2af5d6267f3dd75e7e46785211b1046865a7a70a86d278b0a30dd0
+  version: 0.2.1+devdirty31
+  sha256: 173a472b278902a0a8f520f54a773fa824d5d033443bd820536c6d6c60fe492f
   requires_dist:
   - darkdetect
   - easyscience
diff --git a/pyproject.toml b/pyproject.toml
index 24fd334de..18d906078 100644
--- a/pyproject.toml
+++ b/pyproject.toml
@@ -22,16 +22,16 @@ classifiers = [
 ]
 requires-python = '>=3.11'
 dependencies = [
-  'easyscience',  # The base library of the EasyScience framework
-  'pooch',        # Data downloader
-  'darkdetect',   # Detecting dark mode (system-level)
-  'plopp',        # Plotting library
-  'jupyterlab',   # Jupyter notebooks
-  'pixi-kernel',  # Pixi Jupyter kernel
-  'ipykernel',    # Jupyter kernel (required for running notebooks)
-  'ipywidgets',   # Widgets (needed for interactive matplotlib backends)
-  'ipympl',       # Matplotlib Jupyter widget backend (%matplotlib widget)
-  'IPython',      # Interactive Python shell
+  'easyscience', # The base library of the EasyScience framework
+  'pooch',       # Data downloader
+  'darkdetect',  # Detecting dark mode (system-level)
+  'plopp',       # Plotting library
+  'jupyterlab',  # Jupyter notebooks
+  'pixi-kernel', # Pixi Jupyter kernel
+  'ipykernel',   # Jupyter kernel (required for running notebooks)
+  'ipywidgets',  # Widgets (needed for interactive matplotlib backends)
+  'ipympl',      # Matplotlib Jupyter widget backend (%matplotlib widget)
+  'IPython',     # Interactive Python shell
 ]
 
 [project.optional-dependencies]
@@ -194,7 +194,7 @@ quote-style = 'single'          # But double quotes in docstrings (PEP 8, PEP 25
 select = [
   # Various rules
   #'C90',  # https://docs.astral.sh/ruff/rules/#mccabe-c90
-  'F',   # https://docs.astral.sh/ruff/rules/#pyflakes-f
+  'F', # https://docs.astral.sh/ruff/rules/#pyflakes-f
   #'FLY',  # https://docs.astral.sh/ruff/rules/#flynt-fly
   #'FURB', # https://docs.astral.sh/ruff/rules/#refurb-furb
   'I', # https://docs.astral.sh/ruff/rules/#isort-i
@@ -215,7 +215,7 @@ select = [
   #'PLW', # https://docs.astral.sh/ruff/rules/#warning-plw
   # flake8 rules
   #'A',     # https://docs.astral.sh/ruff/rules/#flake8-builtins-a
-  'ANN',   # https://docs.astral.sh/ruff/rules/#flake8-annotations-ann
+  'ANN', # https://docs.astral.sh/ruff/rules/#flake8-annotations-ann
   #'ARG',   # https://docs.astral.sh/ruff/rules/#flake8-unused-arguments-arg
   #'ASYNC', # https://docs.astral.sh/ruff/rules/#flake8-async-async
   #'B',     # https://docs.astral.sh/ruff/rules/#flake8-bugbear-b
diff --git a/src/easydynamics/analysis/analysis.py b/src/easydynamics/analysis/analysis.py
index d0f80be82..483e214fb 100644
--- a/src/easydynamics/analysis/analysis.py
+++ b/src/easydynamics/analysis/analysis.py
@@ -21,13 +21,15 @@
 
 class Analysis(AnalysisBase):
     """For analysing two-dimensional data, i.e. intensity as function of
-    energy and Q. Supports independent fits of each Q value and
-    simultaneous fits of all Q.
+    energy and Q.
+
+    Supports independent fits of each Q value and simultaneous fits of
+    all Q.
     """
 
     def __init__(
         self,
-        display_name: str | None = "MyAnalysis",
+        display_name: str | None = 'MyAnalysis',
         unique_name: str | None = None,
         experiment: Experiment | None = None,
         sample_model: SampleModel | None = None,
@@ -70,8 +72,8 @@ def __init__(
         if self.Q is not None:
             for Q_index in range(len(self.Q)):
                 analysis = Analysis1d(
-                    display_name=f"{self.display_name}_Q{Q_index}",
-                    unique_name=(f"{self.unique_name}_Q{Q_index}"),
+                    display_name=f'{self.display_name}_Q{Q_index}',
+                    unique_name=(f'{self.unique_name}_Q{Q_index}'),
                     experiment=self.experiment,
                     sample_model=self.sample_model,
                     instrument_model=self.instrument_model,
@@ -113,9 +115,9 @@ def analysis_list(self, value: list[Analysis1d]) -> None:
         """
 
         raise AttributeError(
-            "analysis_list is read-only. "
-            "To change the analysis list, modify the experiment, sample model, "
-            "or instrument model."
+            'analysis_list is read-only. '
+            'To change the analysis list, modify the experiment, sample model, '
+            'or instrument model.'
         )
 
     #############
@@ -146,16 +148,14 @@ def calculate(
             energy = self.energy
 
         if Q_index is None:
-            return [
-                analysis.calculate(energy=energy) for analysis in self.analysis_list
-            ]
+            return [analysis.calculate(energy=energy) for analysis in self.analysis_list]
 
         Q_index = self._verify_Q_index(Q_index)
         return self.analysis_list[Q_index].calculate(energy=energy)
 
     def fit(
         self,
-        fit_method: str = "independent",
+        fit_method: str = 'independent',
         Q_index: int | None = None,
     ) -> FitResults | list[FitResults]:
         """Fit the model to the experimental data.
@@ -181,22 +181,20 @@ def fit(
 
         if self.Q is None:
             raise ValueError(
-                "No Q values available for fitting. Please check the experiment data."
+                'No Q values available for fitting. Please check the experiment data.'
             )
 
         Q_index = self._verify_Q_index(Q_index)
 
-        if fit_method == "independent":
+        if fit_method == 'independent':
             if Q_index is not None:
                 return self._fit_single_Q(Q_index)
             else:
                 return self._fit_all_Q_independently()
-        elif fit_method == "simultaneous":
+        elif fit_method == 'simultaneous':
             return self._fit_all_Q_simultaneously()
         else:
-            raise ValueError(
-                "Invalid fit method. Choose 'independent' or 'simultaneous'."
-            )
+            raise ValueError("Invalid fit method. Choose 'independent' or 'simultaneous'.")
 
     def plot_data_and_model(
         self,
@@ -248,23 +246,21 @@ def plot_data_and_model(
             )
 
         if self.experiment.binned_data is None:
-            raise ValueError("No data to plot. Please load data first.")
+            raise ValueError('No data to plot. Please load data first.')
 
         if not _in_notebook():
-            raise RuntimeError(
-                "plot_data() can only be used in a Jupyter notebook environment."
-            )
+            raise RuntimeError('plot_data() can only be used in a Jupyter notebook environment.')
 
         if self.Q is None:
             raise ValueError(
-                "No Q values available for plotting. Please check the experiment data."
+                'No Q values available for plotting. Please check the experiment data.'
             )
 
         if not isinstance(plot_components, bool):
-            raise TypeError("plot_components must be True or False.")
+            raise TypeError('plot_components must be True or False.')
 
         if not isinstance(add_background, bool):
-            raise TypeError("add_background must be True or False.")
+            raise TypeError('add_background must be True or False.')
 
         if energy is None:
             energy = self.energy
@@ -272,16 +268,16 @@ def plot_data_and_model(
         import plopp as pp
 
         plot_kwargs_defaults = {
-            "title": self.display_name,
-            "linestyle": {"Data": "none", "Model": "-"},
-            "marker": {"Data": "o", "Model": None},
-            "color": {"Data": "black", "Model": "red"},
-            "markerfacecolor": {"Data": "none", "Model": "none"},
-            "keep": "energy",
+            'title': self.display_name,
+            'linestyle': {'Data': 'none', 'Model': '-'},
+            'marker': {'Data': 'o', 'Model': None},
+            'color': {'Data': 'black', 'Model': 'red'},
+            'markerfacecolor': {'Data': 'none', 'Model': 'none'},
+            'keep': 'energy',
         }
         data_and_model = {
-            "Data": self.experiment.binned_data,
-            "Model": self._create_model_array(energy=energy),
+            'Data': self.experiment.binned_data,
+            'Model': self._create_model_array(energy=energy),
         }
 
         if plot_components:
@@ -290,8 +286,8 @@ def plot_data_and_model(
             )
             for key in components.keys():
                 data_and_model[key] = components[key]
-                plot_kwargs_defaults["linestyle"][key] = "--"
-                plot_kwargs_defaults["marker"][key] = None
+                plot_kwargs_defaults['linestyle'][key] = '--'
+                plot_kwargs_defaults['marker'][key] = None
 
         # Overwrite defaults with any user-provided kwargs
         plot_kwargs_defaults.update(kwargs)
@@ -318,7 +314,7 @@ def parameters_to_dataset(self) -> sc.Dataset:
                 parameter across different Q values.
         """
 
-        ds = sc.Dataset(coords={"Q": self.Q})
+        ds = sc.Dataset(coords={'Q': self.Q})
 
         # Collect all parameter names
         all_names = {
@@ -348,7 +344,7 @@ def parameters_to_dataset(self) -> sc.Dataset:
                         except Exception as e:
                             raise UnitError(
                                 f"Inconsistent units for parameter '{name}': "
-                                f"{units[name]} vs {p.unit}"
+                                f'{units[name]} vs {p.unit}'
                             ) from e
 
                     values[name].append(p.value)
@@ -360,7 +356,7 @@ def parameters_to_dataset(self) -> sc.Dataset:
         # Build dataset variables
         for name in all_names:
             ds[name] = sc.Variable(
-                dims=["Q"],
+                dims=['Q'],
                 values=np.asarray(values[name], dtype=float),
                 variances=np.asarray(variances[name], dtype=float),
                 unit=units.get(name, None),
@@ -399,10 +395,8 @@ def plot_parameters(
         if isinstance(names, str):
             names = [names]
 
-        if not isinstance(names, list) or not all(
-            isinstance(name, str) for name in names
-        ):
-            raise TypeError("names must be a string or a list of strings.")
+        if not isinstance(names, list) or not all(isinstance(name, str) for name in names):
+            raise TypeError('names must be a string or a list of strings.')
 
         for name in names:
             if name not in ds:
@@ -410,9 +404,9 @@ def plot_parameters(
 
         data_to_plot = {name: ds[name] for name in names}
         plot_kwargs_defaults = {
-            "linestyle": {name: "none" for name in names},
-            "marker": {name: "o" for name in names},
-            "markerfacecolor": {name: "none" for name in names},
+            'linestyle': {name: 'none' for name in names},
+            'marker': {name: 'o' for name in names},
+            'markerfacecolor': {name: 'none' for name in names},
         }
 
         plot_kwargs_defaults.update(kwargs)
@@ -504,9 +498,7 @@ def _fit_all_Q_simultaneously(self) -> FitResults:
         ws = []
 
         for analysis in self.analysis_list:
-            x, y, weight, _ = self.experiment._extract_x_y_weights_only_finite(
-                analysis.Q_index
-            )
+            x, y, weight, _ = self.experiment._extract_x_y_weights_only_finite(analysis.Q_index)
             xs.append(x)
             ys.append(y)
             ws.append(weight)
@@ -550,10 +542,10 @@ def _create_model_array(self, energy: sc.Variable | None = None) -> sc.DataArray
         """
         if energy is None:
             energy = self.energy
-        model = sc.array(dims=["Q", "energy"], values=self.calculate(energy=energy))
+        model = sc.array(dims=['Q', 'energy'], values=self.calculate(energy=energy))
         model_data_array = sc.DataArray(
             data=model,
-            coords={"Q": self.Q, "energy": energy},
+            coords={'Q': self.Q, 'energy': energy},
         )
         return model_data_array
 
@@ -581,7 +573,7 @@ def _create_components_dataset(
                 of the model, with dimensions "Q".
         """
         if not isinstance(add_background, bool):
-            raise TypeError("add_background must be True or False.")
+            raise TypeError('add_background must be True or False.')
 
         if energy is None:
             energy = self.energy
@@ -593,7 +585,7 @@ def _create_components_dataset(
             for analysis in self.analysis_list
         ]
 
-        return sc.concat(datasets, dim="Q")
+        return sc.concat(datasets, dim='Q')
 
     #############
     # Dunder methods
diff --git a/src/easydynamics/analysis/analysis1d.py b/src/easydynamics/analysis/analysis1d.py
index 41bffaee7..d2802a4a3 100644
--- a/src/easydynamics/analysis/analysis1d.py
+++ b/src/easydynamics/analysis/analysis1d.py
@@ -22,13 +22,15 @@
 
 class Analysis1d(AnalysisBase):
     """For analysing one-dimensional data, i.e. intensity as function of
-    energy for a single Q index. Is used primarily in the Analysis
-    class, but can also be used on its own for simpler analyses.
+    energy for a single Q index.
+
+    Is used primarily in the Analysis class, but can also be used on its
+    own for simpler analyses.
     """
 
     def __init__(
         self,
-        display_name: str | None = "MyAnalysis",
+        display_name: str | None = 'MyAnalysis',
         unique_name: str | None = None,
         experiment: Experiment | None = None,
         sample_model: SampleModel | None = None,
@@ -164,7 +166,7 @@ def fit(self) -> FitResults:
                 Analysis.
         """
         if self._experiment is None:
-            raise ValueError("No experiment is associated with this Analysis.")
+            raise ValueError('No experiment is associated with this Analysis.')
 
         # Create convolver once to reuse during fitting
         self._convolver = self._create_convolver()
@@ -260,13 +262,13 @@ def plot_data_and_model(
         import plopp as pp
 
         if self.experiment.data is None:
-            raise ValueError("No data to plot. Please load data first.")
+            raise ValueError('No data to plot. Please load data first.')
 
         energy = self._verify_energy(energy)
         if energy is None:
             energy = self._masked_energy
 
-        data = self.experiment.data["Q", self.Q_index]
+        data = self.experiment.data['Q', self.Q_index]
         model_array = self._create_sample_scipp_array(energy=energy)
 
         component_dataset = self._create_components_dataset_single_Q(
@@ -275,26 +277,24 @@ def plot_data_and_model(
 
         # Create a dataset containing the data, model, and individual
         # components for plotting.
-        data_and_model = sc.Dataset(
-            {
-                "Data": data,
-                "Model": model_array,
-            }
-        )
+        data_and_model = sc.Dataset({
+            'Data': data,
+            'Model': model_array,
+        })
 
         data_and_model = sc.merge(data_and_model, component_dataset)
         plot_kwargs_defaults = {
-            "title": self.display_name,
-            "linestyle": {"Data": "none", "Model": "-"},
-            "marker": {"Data": "o", "Model": "none"},
-            "color": {"Data": "black", "Model": "red"},
-            "markerfacecolor": {"Data": "none", "Model": "none"},
+            'title': self.display_name,
+            'linestyle': {'Data': 'none', 'Model': '-'},
+            'marker': {'Data': 'o', 'Model': 'none'},
+            'color': {'Data': 'black', 'Model': 'red'},
+            'markerfacecolor': {'Data': 'none', 'Model': 'none'},
         }
 
         if plot_components:
             for comp_name in component_dataset.keys():
-                plot_kwargs_defaults["linestyle"][comp_name] = "--"
-                plot_kwargs_defaults["marker"][comp_name] = None
+                plot_kwargs_defaults['linestyle'][comp_name] = '--'
+                plot_kwargs_defaults['marker'][comp_name] = None
 
         # Overwrite defaults with any user-provided kwargs
         plot_kwargs_defaults.update(kwargs)
@@ -320,7 +320,7 @@ def _require_Q_index(self) -> int:
             ValueError: If the Q index is not set.
         """
         if self._Q_index is None:
-            raise ValueError("Q_index must be set.")
+            raise ValueError('Q_index must be set.')
         return self._Q_index
 
     def _on_Q_index_changed(self) -> None:
@@ -349,9 +349,7 @@ def _verify_energy(self, energy: sc.Variable | None) -> sc.Variable | None:
         """
 
         if energy is not None and not isinstance(energy, sc.Variable):
-            raise TypeError(
-                f"Energy must be a sc.Variable or None. Got {type(energy)}."
-            )
+            raise TypeError(f'Energy must be a sc.Variable or None. Got {type(energy)}.')
         return energy
 
     def _calculate_energy_with_offset(
@@ -378,8 +376,8 @@ def _calculate_energy_with_offset(
                 energy_offset.convert_unit(str(energy.unit))
             except Exception as e:
                 raise sc.UnitError(
-                    f"Energy and energy offset must have compatible units. "
-                    f"Got {energy.unit} and {energy_offset.unit}."
+                    f'Energy and energy offset must have compatible units. '
+                    f'Got {energy.unit} and {energy_offset.unit}.'
                 ) from e
 
         energy_with_offset = energy.copy(deep=True)
@@ -455,9 +453,7 @@ def _evaluate_components(
         # performance is not important.
 
         # We don't create a convolver if the resolution is empty.
-        resolution = self.instrument_model.resolution_model.get_component_collection(
-            Q_index
-        )
+        resolution = self.instrument_model.resolution_model.get_component_collection(Q_index)
         if resolution.is_empty:
             return components.evaluate(energy_with_offset)
 
@@ -531,10 +527,8 @@ def _evaluate_background(self, energy: sc.Variable | None = None) -> np.ndarray:
             np.ndarray: The evaluated background contribution.
         """
         Q_index = self._require_Q_index()
-        background_components = (
-            self.instrument_model.background_model.get_component_collection(
-                Q_index=Q_index
-            )
+        background_components = self.instrument_model.background_model.get_component_collection(
+            Q_index=Q_index
         )
         return self._evaluate_components(
             components=background_components,
@@ -595,8 +589,8 @@ def _create_convolver(
         if sample_components.is_empty:
             return None
 
-        resolution_components = (
-            self.instrument_model.resolution_model.get_component_collection(Q_index)
+        resolution_components = self.instrument_model.resolution_model.get_component_collection(
+            Q_index
         )
         if resolution_components.is_empty:
             return None
@@ -664,9 +658,7 @@ def _create_background_component_scipp_array(
         )
         return self._to_scipp_array(values=values, energy=energy)
 
-    def _create_sample_scipp_array(
-        self, energy: sc.Variable | None = None
-    ) -> sc.DataArray:
+    def _create_sample_scipp_array(self, energy: sc.Variable | None = None) -> sc.DataArray:
         """Create a scipp DataArray for the full sample model including
         background.
 
@@ -705,28 +697,22 @@ def _create_components_dataset_single_Q(
             Q_index=self.Q_index
         ).components
 
-        background_components = (
-            self.instrument_model.background_model.get_component_collection(
-                Q_index=self.Q_index
-            ).components
-        )
+        background_components = self.instrument_model.background_model.get_component_collection(
+            Q_index=self.Q_index
+        ).components
 
         if energy is None:
             energy = self._masked_energy
 
-        background = (
-            self._evaluate_background(energy=energy) if add_background else None
-        )
+        background = self._evaluate_background(energy=energy) if add_background else None
 
         for component in sample_components:
             scipp_arrays[component.display_name] = self._create_component_scipp_array(
                 component=component, background=background, energy=energy
             )
         for component in background_components:
-            scipp_arrays[component.display_name] = (
-                self._create_background_component_scipp_array(
-                    component=component, energy=energy
-                )
+            scipp_arrays[component.display_name] = self._create_background_component_scipp_array(
+                component=component, energy=energy
             )
         return sc.Dataset(scipp_arrays)
 
@@ -751,9 +737,9 @@ def _to_scipp_array(
         if energy is None:
             energy = self._masked_energy
         return sc.DataArray(
-            data=sc.array(dims=["energy"], values=values),
+            data=sc.array(dims=['energy'], values=values),
             coords={
-                "energy": energy,
-                "Q": self.Q[self.Q_index],
+                'energy': energy,
+                'Q': self.Q[self.Q_index],
             },
         )
diff --git a/src/easydynamics/analysis/analysis_base.py b/src/easydynamics/analysis/analysis_base.py
index 9ab308f6d..b5daa54db 100644
--- a/src/easydynamics/analysis/analysis_base.py
+++ b/src/easydynamics/analysis/analysis_base.py
@@ -24,7 +24,7 @@ class AnalysisBase(EasyScienceModelBase):
 
     def __init__(
         self,
-        display_name: str | None = "MyAnalysis",
+        display_name: str | None = 'MyAnalysis',
         unique_name: str | None = None,
         experiment: Experiment | None = None,
         sample_model: SampleModel | None = None,
@@ -65,23 +65,21 @@ def __init__(
         elif isinstance(experiment, Experiment):
             self._experiment = experiment
         else:
-            raise TypeError("experiment must be an instance of Experiment or None.")
+            raise TypeError('experiment must be an instance of Experiment or None.')
 
         if sample_model is None:
             self._sample_model = SampleModel()
         elif isinstance(sample_model, SampleModel):
             self._sample_model = sample_model
         else:
-            raise TypeError("sample_model must be an instance of SampleModel or None.")
+            raise TypeError('sample_model must be an instance of SampleModel or None.')
 
         if instrument_model is None:
             self._instrument_model = InstrumentModel()
         elif isinstance(instrument_model, InstrumentModel):
             self._instrument_model = instrument_model
         else:
-            raise TypeError(
-                "instrument_model must be an instance of InstrumentModel or None."
-            )
+            raise TypeError('instrument_model must be an instance of InstrumentModel or None.')
 
         if extra_parameters is not None:
             if isinstance(extra_parameters, Parameter):
@@ -91,9 +89,7 @@ def __init__(
             ):
                 self._extra_parameters = extra_parameters
             else:
-                raise TypeError(
-                    "extra_parameters must be a Parameter or a list of Parameters."
-                )
+                raise TypeError('extra_parameters must be a Parameter or a list of Parameters.')
         else:
             self._extra_parameters = []
 
@@ -125,7 +121,7 @@ def experiment(self, value: Experiment) -> None:
         """
 
         if not isinstance(value, Experiment):
-            raise TypeError("experiment must be an instance of Experiment")
+            raise TypeError('experiment must be an instance of Experiment')
         self._experiment = value
         self._on_experiment_changed()
 
@@ -150,7 +146,7 @@ def sample_model(self, value: SampleModel) -> None:
             TypeError: if value is not a SampleModel.
         """
         if not isinstance(value, SampleModel):
-            raise TypeError("sample_model must be an instance of SampleModel")
+            raise TypeError('sample_model must be an instance of SampleModel')
         self._sample_model = value
         self._on_sample_model_changed()
 
@@ -176,7 +172,7 @@ def instrument_model(self, value: InstrumentModel) -> None:
             TypeError: if value is not an InstrumentModel.
         """
         if not isinstance(value, InstrumentModel):
-            raise TypeError("instrument_model must be an instance of InstrumentModel")
+            raise TypeError('instrument_model must be an instance of InstrumentModel')
         self._instrument_model = value
         self._on_instrument_model_changed()
 
@@ -203,7 +199,7 @@ def Q(self, value: sc.Variable) -> None:
         Raises:
             AttributeError: If trying to set Q.
         """
-        raise AttributeError("Q is a read-only property derived from the Experiment.")
+        raise AttributeError('Q is a read-only property derived from the Experiment.')
 
     @property
     def energy(self) -> sc.Variable | None:
@@ -230,9 +226,7 @@ def energy(self, value: sc.Variable) -> None:
             AttributeError: If trying to set energy.
         """
 
-        raise AttributeError(
-            "energy is a read-only property derived from the Experiment."
-        )
+        raise AttributeError('energy is a read-only property derived from the Experiment.')
 
     @property
     def temperature(self) -> Parameter | None:
@@ -259,9 +253,7 @@ def temperature(self, value: np.ndarray | Parameter) -> None:
             AttributeError: If trying to set temperature.
         """
 
-        raise AttributeError(
-            "temperature is a read-only property derived from the SampleModel."
-        )
+        raise AttributeError('temperature is a read-only property derived from the SampleModel.')
 
     @property
     def extra_parameters(self) -> list[Parameter]:
@@ -292,9 +284,7 @@ def extra_parameters(self, value: Parameter | list[Parameter]) -> None:
         elif value is None:
             self._extra_parameters = []
         else:
-            raise TypeError(
-                "extra_parameters must be a Parameter, a list of Parameters, or None."
-            )
+            raise TypeError('extra_parameters must be a Parameter, a list of Parameters, or None.')
 
     #############
     # Other methods
@@ -341,7 +331,7 @@ def _verify_Q_index(self, Q_index: int | None) -> int | None:
                 or Q_index < 0
                 or (self.Q is not None and Q_index >= len(self.Q))
             ):
-                raise IndexError("Q_index must be a valid index for the Q values.")
+                raise IndexError('Q_index must be a valid index for the Q values.')
         return Q_index
 
     #############
@@ -354,5 +344,5 @@ def __repr__(self) -> str:
         Returns:
             str: A string representation of the Analysis.
         """
-        return f" {self.__class__.__name__}  (display_name={self.display_name}, \
-        unique_name={self.unique_name})"
+        return f' {self.__class__.__name__}  (display_name={self.display_name}, \
+        unique_name={self.unique_name})'
diff --git a/src/easydynamics/convolution/analytical_convolution.py b/src/easydynamics/convolution/analytical_convolution.py
index 5c4b79183..761f1cec4 100644
--- a/src/easydynamics/convolution/analytical_convolution.py
+++ b/src/easydynamics/convolution/analytical_convolution.py
@@ -20,25 +20,25 @@ class AnalyticalConvolution(ConvolutionBase):
     """Analytical convolution of a ModelComponent or ComponentCollection
     with a ResolutionModel.
 
-    Possible analytical convolutions are any combination of
-    delta functions, Gaussians, Lorentzians and Voigt profiles.
+    Possible analytical convolutions are any combination of delta
+    functions, Gaussians, Lorentzians and Voigt profiles.
     """
 
     # Mapping of supported component type pairs to convolution methods.
     # Delta functions are handled separately.
     _CONVOLUTIONS = {
-        ("Gaussian", "Gaussian"): "_convolute_gaussian_gaussian",
-        ("Gaussian", "Lorentzian"): "_convolute_gaussian_lorentzian",
-        ("Gaussian", "Voigt"): "_convolute_gaussian_voigt",
-        ("Lorentzian", "Lorentzian"): "_convolute_lorentzian_lorentzian",
-        ("Lorentzian", "Voigt"): "_convolute_lorentzian_voigt",
-        ("Voigt", "Voigt"): "_convolute_voigt_voigt",
+        ('Gaussian', 'Gaussian'): '_convolute_gaussian_gaussian',
+        ('Gaussian', 'Lorentzian'): '_convolute_gaussian_lorentzian',
+        ('Gaussian', 'Voigt'): '_convolute_gaussian_voigt',
+        ('Lorentzian', 'Lorentzian'): '_convolute_lorentzian_lorentzian',
+        ('Lorentzian', 'Voigt'): '_convolute_lorentzian_voigt',
+        ('Voigt', 'Voigt'): '_convolute_voigt_voigt',
     }
 
     def __init__(
         self,
         energy: np.ndarray | sc.Variable,
-        energy_unit: str | sc.Unit = "meV",
+        energy_unit: str | sc.Unit = 'meV',
         sample_components: ComponentCollection | ModelComponent | None = None,
         resolution_components: ComponentCollection | ModelComponent | None = None,
         energy_offset: Numeric | Parameter = 0.0,
@@ -146,8 +146,8 @@ def _convolute_analytic_pair(
 
         if isinstance(resolution_component, DeltaFunction):
             raise ValueError(
-                "Analytical convolution with a delta function \
-                    in the resolution model is not supported."
+                'Analytical convolution with a delta function \
+                    in the resolution model is not supported.'
             )
 
         # Delta function + anything -->
@@ -173,8 +173,8 @@ def _convolute_analytic_pair(
 
         if func_name is None:
             raise ValueError(
-                f"Analytical convolution not supported for component pair: "
-                f"{type(sample_component).__name__}, {type(resolution_component).__name__}"
+                f'Analytical convolution not supported for component pair: '
+                f'{type(sample_component).__name__}, {type(resolution_component).__name__}'
             )
 
         # Call the corresponding method
@@ -225,9 +225,7 @@ def _convolute_gaussian_gaussian(
             np.ndarray: The evaluated convolution values at self.energy.
         """
 
-        width = np.sqrt(
-            sample_component.width.value**2 + resolution_component.width.value**2
-        )
+        width = np.sqrt(sample_component.width.value**2 + resolution_component.width.value**2)
 
         area = sample_component.area.value * resolution_component.area.value
 
@@ -286,8 +284,7 @@ def _convolute_gaussian_voigt(
         center = sample_component.center.value + resolution_component.center.value
 
         gaussian_width = np.sqrt(
-            sample_component.width.value**2
-            + resolution_component.gaussian_width.value**2
+            sample_component.width.value**2 + resolution_component.gaussian_width.value**2
         )
 
         lorentzian_width = resolution_component.lorentzian_width.value
@@ -389,13 +386,11 @@ def _convolute_voigt_voigt(
         center = sample_component.center.value + resolution_component.center.value
 
         gaussian_width = np.sqrt(
-            sample_component.gaussian_width.value**2
-            + resolution_component.gaussian_width.value**2
+            sample_component.gaussian_width.value**2 + resolution_component.gaussian_width.value**2
         )
 
         lorentzian_width = (
-            sample_component.lorentzian_width.value
-            + resolution_component.lorentzian_width.value
+            sample_component.lorentzian_width.value + resolution_component.lorentzian_width.value
         )
         return self._voigt_eval(
             area=area,
diff --git a/src/easydynamics/convolution/convolution.py b/src/easydynamics/convolution/convolution.py
index c8461d74f..7cd742f5e 100644
--- a/src/easydynamics/convolution/convolution.py
+++ b/src/easydynamics/convolution/convolution.py
@@ -23,11 +23,10 @@ class Convolution(NumericalConvolutionBase):
     ComponentCollections with ResolutionComponents.
 
     Supports analytical convolution for pairs of analytical model
-    components (DeltaFunction, Gaussian, Lorentzian, Voigt), while
-    using numerical convolution for other components.
-    If temperature is provided, detailed balance correction is applied
-    to the sample model. In this case, all convolutions are handled
-    numerically.
+    components (DeltaFunction, Gaussian, Lorentzian, Voigt), while using
+    numerical convolution for other components. If temperature is
+    provided, detailed balance correction is applied to the sample
+    model. In this case, all convolutions are handled numerically.
     Includes a setting to normalize the detailed balance correction.
     Includes optional upsampling and extended range to improve accuracy
     of the numerical convolutions. Also warns about numerical
@@ -37,16 +36,16 @@ class Convolution(NumericalConvolutionBase):
     # When these attributes are changed, the convolution plan
     # needs to be rebuilt
     _invalidate_plan_on_change = {
-        "energy",
-        "_energy",
-        "_energy_grid",
-        "_sample_components",
-        "_resolution_components",
-        "_temperature",
-        "_upsample_factor",
-        "_extension_factor",
-        "_energy_unit",
-        "_normalize_detailed_balance",
+        'energy',
+        '_energy',
+        '_energy_grid',
+        '_sample_components',
+        '_resolution_components',
+        '_temperature',
+        '_upsample_factor',
+        '_extension_factor',
+        '_energy_unit',
+        '_normalize_detailed_balance',
     }
 
     def __init__(
@@ -58,8 +57,8 @@ def __init__(
         upsample_factor: Numeric | None = 5,
         extension_factor: Numeric | None = 0.2,
         temperature: Parameter | Numeric | None = None,
-        temperature_unit: str | sc.Unit = "K",
-        energy_unit: str | sc.Unit = "meV",
+        temperature_unit: str | sc.Unit = 'K',
+        energy_unit: str | sc.Unit = 'meV',
         normalize_detailed_balance: bool = True,
     ) -> None:
         """Initialize the Convolution class.
@@ -183,19 +182,19 @@ def _check_if_pair_is_analytic(
 
         if not isinstance(sample_component, ModelComponent):
             raise TypeError(
-                f"`sample_component` is an instance of {type(sample_component).__name__}, \
-                but must be a ModelComponent."
+                f'`sample_component` is an instance of {type(sample_component).__name__}, \
+                but must be a ModelComponent.'
             )
 
         if not isinstance(resolution_component, ModelComponent):
             raise TypeError(
-                f"`resolution_component` is an instance of {type(resolution_component).__name__}, \
-                    but must be a ModelComponent."
+                f'`resolution_component` is an instance of {type(resolution_component).__name__}, \
+                    but must be a ModelComponent.'
             )
 
         if isinstance(resolution_component, DeltaFunction):
             raise TypeError(
-                "resolution components contains delta functions. This is not supported."
+                'resolution components contains delta functions. This is not supported.'
             )
 
         analytical_types = (Gaussian, Lorentzian, Voigt)
@@ -234,9 +233,7 @@ def _build_convolution_plan(self) -> None:
             pair_is_analytic = []
             for resolution_component in self._resolution_components.components:
                 pair_is_analytic.append(
-                    self._check_if_pair_is_analytic(
-                        sample_component, resolution_component
-                    )
+                    self._check_if_pair_is_analytic(sample_component, resolution_component)
                 )
             # If all resolution components can be convolved analytically
             # with this sample component, add it to analytical
@@ -304,8 +301,5 @@ def __setattr__(self, name: str, value: any) -> None:
         if name in self._invalidate_plan_on_change:
             self._convolution_plan_is_valid = False
 
-        if (
-            getattr(self, "_reactions_enabled", False)
-            and name in self._invalidate_plan_on_change
-        ):
+        if getattr(self, '_reactions_enabled', False) and name in self._invalidate_plan_on_change:
             self._build_convolution_plan()
diff --git a/src/easydynamics/convolution/convolution_base.py b/src/easydynamics/convolution/convolution_base.py
index c5af8fe97..1ace459c0 100644
--- a/src/easydynamics/convolution/convolution_base.py
+++ b/src/easydynamics/convolution/convolution_base.py
@@ -11,8 +11,9 @@
 
 
 class ConvolutionBase:
-    """Base class for convolutions of sample and resolution models. This
-    base class has no convolution functionality.
+    """Base class for convolutions of sample and resolution models.
+
+    This base class has no convolution functionality.
     """
 
     def __init__(
@@ -20,7 +21,7 @@ def __init__(
         energy: np.ndarray | sc.Variable,
         sample_components: ComponentCollection | ModelComponent | None = None,
         resolution_components: ComponentCollection | ModelComponent | None = None,
-        energy_unit: str | sc.Unit = "meV",
+        energy_unit: str | sc.Unit = 'meV',
         energy_offset: Numeric | Parameter = 0.0,
     ) -> None:
         """Initialize the ConvolutionBase.
@@ -43,29 +44,26 @@ def __init__(
                 energy_offset is not a number or a Parameter, or if
                 sample_components is not a ComponentCollection or ModelComponent, or if
                 resolution_components is not a ComponentCollection or ModelComponent.
-
         """
         if isinstance(energy, Numeric):
             energy = np.array([float(energy)])
 
         if not isinstance(energy, (np.ndarray, sc.Variable)):
-            raise TypeError(
-                f"Energy must be a numpy ndarray or a scipp Variable. Got {energy}"
-            )
+            raise TypeError(f'Energy must be a numpy ndarray or a scipp Variable. Got {energy}')
 
         if not isinstance(energy_unit, (str, sc.Unit)):
-            raise TypeError("Energy_unit must be a string or sc.Unit.")
+            raise TypeError('Energy_unit must be a string or sc.Unit.')
 
         if isinstance(energy, np.ndarray):
-            energy = sc.array(dims=["energy"], values=energy, unit=energy_unit)
+            energy = sc.array(dims=['energy'], values=energy, unit=energy_unit)
 
         if isinstance(energy_offset, Numeric):
             energy_offset = Parameter(
-                name="energy_offset", value=float(energy_offset), unit=energy_unit
+                name='energy_offset', value=float(energy_offset), unit=energy_unit
             )
 
         if not isinstance(energy_offset, Parameter):
-            raise TypeError("Energy_offset must be a number or a Parameter.")
+            raise TypeError('Energy_offset must be a number or a Parameter.')
 
         self._energy = energy
         self._energy_unit = energy_unit
@@ -76,7 +74,7 @@ def __init__(
             or isinstance(sample_components, ModelComponent)
         ):
             raise TypeError(
-                f"`sample_components` is an instance of {type(sample_components).__name__}, but must be a ComponentCollection or ModelComponent."  # noqa: E501
+                f'`sample_components` is an instance of {type(sample_components).__name__}, but must be a ComponentCollection or ModelComponent.'  # noqa: E501
             )
         if isinstance(sample_components, ModelComponent):
             sample_components = ComponentCollection(components=[sample_components])
@@ -87,12 +85,10 @@ def __init__(
             or isinstance(resolution_components, ModelComponent)
         ):
             raise TypeError(
-                f"`resolution_components` is an instance of {type(resolution_components).__name__}, but must be a ComponentCollection or ModelComponent."  # noqa: E501
+                f'`resolution_components` is an instance of {type(resolution_components).__name__}, but must be a ComponentCollection or ModelComponent.'  # noqa: E501
             )
         if isinstance(resolution_components, ModelComponent):
-            resolution_components = ComponentCollection(
-                components=[resolution_components]
-            )
+            resolution_components = ComponentCollection(components=[resolution_components])
         self._resolution_components = resolution_components
 
     @property
@@ -116,7 +112,7 @@ def energy_offset(self, energy_offset: Numeric | Parameter) -> None:
             TypeError: If energy_offset is not a number or a Parameter.
         """
         if not isinstance(energy_offset, Parameter | Numeric):
-            raise TypeError("Energy_offset must be a number or a Parameter.")
+            raise TypeError('Energy_offset must be a number or a Parameter.')
 
         if isinstance(energy_offset, Numeric):
             self._energy_offset.value = float(energy_offset)
@@ -148,7 +144,7 @@ def energy_with_offset(self, value: sc.Variable) -> None:
                 read-only.
         """
         raise AttributeError(
-            "Energy with offset is a read-only property derived from energy and energy_offset."
+            'Energy with offset is a read-only property derived from energy and energy_offset.'
         )
 
     @property
@@ -179,14 +175,10 @@ def energy(self, energy: np.ndarray | sc.Variable) -> None:
             energy = np.array([float(energy)])
 
         if not isinstance(energy, (np.ndarray, sc.Variable)):
-            raise TypeError(
-                "Energy must be a Number, a numpy ndarray or a scipp Variable."
-            )
+            raise TypeError('Energy must be a Number, a numpy ndarray or a scipp Variable.')
 
         if isinstance(energy, np.ndarray):
-            self._energy = sc.array(
-                dims=["energy"], values=energy, unit=self._energy.unit
-            )
+            self._energy = sc.array(dims=['energy'], values=energy, unit=self._energy.unit)
 
         if isinstance(energy, sc.Variable):
             self._energy = energy
@@ -205,8 +197,8 @@ def energy_unit(self) -> str:
     def energy_unit(self, unit_str: str) -> None:
         raise AttributeError(
             (
-                f"Unit is read-only. Use convert_unit to change the unit between allowed types "
-                f"or create a new {self.__class__.__name__} with the desired unit."
+                f'Unit is read-only. Use convert_unit to change the unit between allowed types '
+                f'or create a new {self.__class__.__name__} with the desired unit.'
             )
         )  # noqa: E501
 
@@ -222,7 +214,7 @@ def convert_energy_unit(self, energy_unit: str | sc.Unit) -> None:
                 unit.
         """
         if not isinstance(energy_unit, (str, sc.Unit)):
-            raise TypeError("Energy unit must be a string or scipp unit.")
+            raise TypeError('Energy unit must be a string or scipp unit.')
 
         old_energy = self.energy.copy()
         try:
@@ -251,9 +243,7 @@ def sample_components(self) -> ComponentCollection | ModelComponent:
         return self._sample_components
 
     @sample_components.setter
-    def sample_components(
-        self, sample_components: ComponentCollection | ModelComponent
-    ) -> None:
+    def sample_components(self, sample_components: ComponentCollection | ModelComponent) -> None:
         """Set the sample model.
 
         Args:
@@ -266,7 +256,7 @@ def sample_components(
         """
         if not isinstance(sample_components, (ComponentCollection, ModelComponent)):
             raise TypeError(
-                f"`sample_components` is an instance of {type(sample_components).__name__}, but must be a ComponentCollection or ModelComponent."  # noqa: E501
+                f'`sample_components` is an instance of {type(sample_components).__name__}, but must be a ComponentCollection or ModelComponent.'  # noqa: E501
             )
 
         if isinstance(sample_components, ModelComponent):
@@ -300,11 +290,9 @@ def resolution_components(
         """
         if not isinstance(resolution_components, (ComponentCollection, ModelComponent)):
             raise TypeError(
-                f"`resolution_components` is an instance of {type(resolution_components).__name__}, but must be a ComponentCollection or ModelComponent."  # noqa: E501
+                f'`resolution_components` is an instance of {type(resolution_components).__name__}, but must be a ComponentCollection or ModelComponent.'  # noqa: E501
             )
 
         if isinstance(resolution_components, ModelComponent):
-            resolution_components = ComponentCollection(
-                components=[resolution_components]
-            )
+            resolution_components = ComponentCollection(components=[resolution_components])
         self._resolution_components = resolution_components
diff --git a/src/easydynamics/convolution/numerical_convolution.py b/src/easydynamics/convolution/numerical_convolution.py
index bad409221..b2f45b450 100644
--- a/src/easydynamics/convolution/numerical_convolution.py
+++ b/src/easydynamics/convolution/numerical_convolution.py
@@ -9,18 +9,18 @@
 from easydynamics.convolution.numerical_convolution_base import NumericalConvolutionBase
 from easydynamics.sample_model.component_collection import ComponentCollection
 from easydynamics.sample_model.components.model_component import ModelComponent
-from easydynamics.utils.detailed_balance import (
-    _detailed_balance_factor as detailed_balance_factor,
-)
+from easydynamics.utils.detailed_balance import _detailed_balance_factor as detailed_balance_factor
 from easydynamics.utils.utils import Numeric
 
 
 class NumericalConvolution(NumericalConvolutionBase):
     """Numerical convolution of a ComponentCollection with a
-    ComponentCollection using FFT. Includes optional upsampling and
-    extended range to improve accuracy. Warns about very wide or very
-    narrow peaks in the models. If temperature is provided, detailed
-    balance correction is applied to the sample model.
+    ComponentCollection using FFT.
+
+    Includes optional upsampling and extended range to improve accuracy.
+    Warns about very wide or very narrow peaks in the models. If
+    temperature is provided, detailed balance correction is applied to
+    the sample model.
     """
 
     def __init__(
@@ -32,8 +32,8 @@ def __init__(
         upsample_factor: Numeric | None = 5,
         extension_factor: Numeric | None = 0.2,
         temperature: Parameter | Numeric | None = None,
-        temperature_unit: str | sc.Unit = "K",
-        energy_unit: str | sc.Unit = "meV",
+        temperature_unit: str | sc.Unit = 'K',
+        energy_unit: str | sc.Unit = 'meV',
         normalize_detailed_balance: bool = True,
     ) -> None:
         """Initialize the NumericalConvolution object.
@@ -89,11 +89,11 @@ def convolution(
         # Give warnings if peaks are very wide or very narrow
         self._check_width_thresholds(
             model=self.sample_components,
-            model_name="sample model",
+            model_name='sample model',
         )
         self._check_width_thresholds(
             model=self.resolution_components,
-            model_name="resolution model",
+            model_name='resolution model',
         )
 
         # Evaluate sample model. If called via the Convolution class,
@@ -120,7 +120,7 @@ def convolution(
         )
 
         # Convolution
-        convolved = fftconvolve(sample_vals, resolution_vals, mode="same")
+        convolved = fftconvolve(sample_vals, resolution_vals, mode='same')
         convolved *= self._energy_grid.energy_dense_step  # normalize
 
         if self.upsample_factor is not None:
diff --git a/src/easydynamics/convolution/numerical_convolution_base.py b/src/easydynamics/convolution/numerical_convolution_base.py
index 9c5ffda24..54ccac6dc 100644
--- a/src/easydynamics/convolution/numerical_convolution_base.py
+++ b/src/easydynamics/convolution/numerical_convolution_base.py
@@ -28,8 +28,10 @@
 
 class NumericalConvolutionBase(ConvolutionBase):
     """Base class for numerical convolutions of sample and resolution
-    models. Provides methods to handle upsampling, extension, and
-    detailed balance correction. This base class has no convolution
+    models.
+
+    Provides methods to handle upsampling, extension, and detailed
+    balance correction. This base class has no convolution
     functionality.
     """
 
@@ -42,8 +44,8 @@ def __init__(
         upsample_factor: Numeric | None = 5,
         extension_factor: Numeric | None = 0.2,
         temperature: Parameter | Numeric | None = None,
-        temperature_unit: str | sc.Unit = "K",
-        energy_unit: str | sc.Unit = "meV",
+        temperature_unit: str | sc.Unit = 'K',
+        energy_unit: str | sc.Unit = 'meV',
         normalize_detailed_balance: bool = True,
     ) -> None:
         """Initialize the NumericalConvolutionBase.
@@ -83,13 +85,11 @@ def __init__(
             energy_offset=energy_offset,
         )
 
-        if temperature is not None and not isinstance(
-            temperature, (Numeric, Parameter)
-        ):
-            raise TypeError("Temperature must be None, a number or a Parameter.")
+        if temperature is not None and not isinstance(temperature, (Numeric, Parameter)):
+            raise TypeError('Temperature must be None, a number or a Parameter.')
 
         if not isinstance(temperature_unit, (str, sc.Unit)):
-            raise TypeError("Temperature_unit must be a string or sc.Unit.")
+            raise TypeError('Temperature_unit must be a string or sc.Unit.')
         self._temperature_unit = temperature_unit
         self._temperature = None
         self.temperature = temperature
@@ -142,10 +142,10 @@ def upsample_factor(self, factor: Numeric | None) -> None:
             return
 
         if not isinstance(factor, Numeric):
-            raise TypeError("Upsample factor must be a numerical value or None.")
+            raise TypeError('Upsample factor must be a numerical value or None.')
         factor = float(factor)
         if factor <= 1.0:
-            raise ValueError("Upsample factor must be greater than 1.")
+            raise ValueError('Upsample factor must be greater than 1.')
 
         self._upsample_factor = factor
 
@@ -185,9 +185,9 @@ def extension_factor(self, factor: Numeric) -> None:
         """
 
         if not isinstance(factor, Numeric):
-            raise TypeError("Extension factor must be a number.")
+            raise TypeError('Extension factor must be a number.')
         if factor < 0.0:
-            raise ValueError("Extension factor must be non-negative.")
+            raise ValueError('Extension factor must be non-negative.')
 
         self._extension_factor = float(factor)
         # Recreate dense grid when extension factor is updated
@@ -227,7 +227,7 @@ def temperature(self, temp: Parameter | Numeric | None) -> None:
                 self._temperature.value = float(temp)
             else:
                 self._temperature = Parameter(
-                    name="temperature",
+                    name='temperature',
                     value=float(temp),
                     unit=self._temperature_unit,
                     fixed=True,
@@ -235,7 +235,7 @@ def temperature(self, temp: Parameter | Numeric | None) -> None:
         elif isinstance(temp, Parameter):
             self._temperature = temp
         else:
-            raise TypeError("Temperature must be None, a float or a Parameter.")
+            raise TypeError('Temperature must be None, a float or a Parameter.')
 
     @property
     def normalize_detailed_balance(self) -> bool:
@@ -264,7 +264,7 @@ def normalize_detailed_balance(self, normalize: bool) -> None:
         """
 
         if not isinstance(normalize, bool):
-            raise TypeError("normalize_detailed_balance must be True or False.")
+            raise TypeError('normalize_detailed_balance must be True or False.')
 
         self._normalize_detailed_balance = normalize
 
@@ -292,7 +292,7 @@ def _create_energy_grid(
             is_uniform = np.allclose(energy_diff, energy_diff[0])
             if not is_uniform:
                 raise ValueError(
-                    "Input array `energy` must be uniformly spaced if upsample_factor is not given."  # noqa: E501
+                    'Input array `energy` must be uniformly spaced if upsample_factor is not given.'  # noqa: E501
                 )
             energy_dense = self.energy.values
 
@@ -309,7 +309,7 @@ def _create_energy_grid(
             energy_span_dense = extended_max - extended_min
 
         if len(energy_dense) < 2:
-            raise ValueError("Energy array must have at least two points.")
+            raise ValueError('Energy array must have at least two points.')
         energy_dense_step = energy_dense[1] - energy_dense[0]
 
         # Handle offset for even length of energy_dense in convolution.
@@ -373,29 +373,23 @@ def _check_width_thresholds(
             components = [model]  # Treat single ModelComponent as a list
 
         for comp in components:
-            if hasattr(comp, "width"):
-                if (
-                    comp.width.value
-                    > LARGE_WIDTH_THRESHOLD * self._energy_grid.energy_span_dense
-                ):
+            if hasattr(comp, 'width'):
+                if comp.width.value > LARGE_WIDTH_THRESHOLD * self._energy_grid.energy_span_dense:
                     warnings.warn(
                         f"The width of the {model_name} component '{comp.unique_name}' \
                             ({comp.width.value}) is large compared to the span of the input "
-                        f"array ({self._energy_grid.energy_span_dense}). \
+                        f'array ({self._energy_grid.energy_span_dense}). \
                             This may lead to inaccuracies in the convolution. \
-                                Increase extension_factor to improve accuracy.",
+                                Increase extension_factor to improve accuracy.',
                         UserWarning,
                     )
-                if (
-                    comp.width.value
-                    < SMALL_WIDTH_THRESHOLD * self._energy_grid.energy_dense_step
-                ):
+                if comp.width.value < SMALL_WIDTH_THRESHOLD * self._energy_grid.energy_dense_step:
                     warnings.warn(
                         f"The width of the {model_name} component '{comp.unique_name}' \
                             ({comp.width.value}) is small compared to the spacing of the input "
-                        f"array ({self._energy_grid.energy_dense_step}). \
+                        f'array ({self._energy_grid.energy_dense_step}). \
                             This may lead to inaccuracies in the convolution. \
-                                Increase upsample_factor to improve accuracy.",
+                                Increase upsample_factor to improve accuracy.',
                         UserWarning,
                     )
 
@@ -408,13 +402,13 @@ def __repr__(self) -> str:
                 NumericalConvolutionBase.
         """
         return (
-            f"{self.__class__.__name__}("
-            f"energy=array of shape {self.energy.values.shape},\n "
-            f"sample_components={repr(self.sample_components)}, \n"
-            f"resolution_components={repr(self.resolution_components)},\n "
-            f"energy_unit={self._energy_unit}, "
-            f"upsample_factor={self.upsample_factor}, "
-            f"extension_factor={self.extension_factor}, "
-            f"temperature={self.temperature}, "
-            f"normalize_detailed_balance={self.normalize_detailed_balance})"
+            f'{self.__class__.__name__}('
+            f'energy=array of shape {self.energy.values.shape},\n '
+            f'sample_components={repr(self.sample_components)}, \n'
+            f'resolution_components={repr(self.resolution_components)},\n '
+            f'energy_unit={self._energy_unit}, '
+            f'upsample_factor={self.upsample_factor}, '
+            f'extension_factor={self.extension_factor}, '
+            f'temperature={self.temperature}, '
+            f'normalize_detailed_balance={self.normalize_detailed_balance})'
         )
diff --git a/src/easydynamics/experiment/experiment.py b/src/easydynamics/experiment/experiment.py
index 2bb351104..9e087a6d6 100644
--- a/src/easydynamics/experiment/experiment.py
+++ b/src/easydynamics/experiment/experiment.py
@@ -23,7 +23,7 @@ class Experiment(NewBase):
 
     def __init__(
         self,
-        display_name: str | None = "MyExperiment",
+        display_name: str | None = 'MyExperiment',
         unique_name: str | None = None,
         data: sc.DataArray | str | None = None,
     ) -> None:
@@ -54,7 +54,7 @@ def __init__(
             self._data = data
         else:
             raise TypeError(
-                f"Data must be a sc.DataArray or a filename string, not {type(data).__name__}"
+                f'Data must be a sc.DataArray or a filename string, not {type(data).__name__}'
             )
 
         self._binned_data = (
@@ -87,7 +87,7 @@ def data(self, value: sc.DataArray) -> None:
             TypeError: If the value is not a sc.DataArray.
         """
         if not isinstance(value, sc.DataArray):
-            raise TypeError(f"Data must be a sc.DataArray, not {type(value).__name__}")
+            raise TypeError(f'Data must be a sc.DataArray, not {type(value).__name__}')
         self._validate_coordinates(value)
         self._data = value
         self._binned_data = (
@@ -116,9 +116,7 @@ def binned_data(self, value: sc.DataArray) -> None:
         Raises:
             AttributeError: Always, since binned_data is read-only.
         """
-        raise AttributeError(
-            "binned_data is a read-only property. Use rebin() to rebin the data"
-        )
+        raise AttributeError('binned_data is a read-only property. Use rebin() to rebin the data')
 
     @property
     def Q(self) -> sc.Variable | None:
@@ -130,7 +128,7 @@ def Q(self) -> sc.Variable | None:
         """
         if self._binned_data is None:
             return None
-        return self._binned_data.coords["Q"]
+        return self._binned_data.coords['Q']
 
     @Q.setter
     def Q(self, value: sc.Variable) -> None:
@@ -143,7 +141,7 @@ def Q(self, value: sc.Variable) -> None:
         Raises:
             AttributeError: Always, since Q is read-only.
         """
-        raise AttributeError("Q is a read-only property derived from the data.")
+        raise AttributeError('Q is a read-only property derived from the data.')
 
     @property
     def energy(self) -> sc.Variable | None:
@@ -155,7 +153,7 @@ def energy(self) -> sc.Variable | None:
         """
         if self._binned_data is None:
             return None
-        return self._binned_data.coords["energy"]
+        return self._binned_data.coords['energy']
 
     @energy.setter
     def energy(self, value: sc.Variable) -> None:
@@ -168,7 +166,7 @@ def energy(self, value: sc.Variable) -> None:
         Raises:
             AttributeError: Always, since energy is read-only.
         """
-        raise AttributeError("energy is a read-only property derived from the data.")
+        raise AttributeError('energy is a read-only property derived from the data.')
 
     def get_masked_energy(self, Q_index: int) -> sc.Variable | None:
         """Get the energy values from the dataset, removing points where
@@ -193,12 +191,12 @@ def get_masked_energy(self, Q_index: int) -> sc.Variable | None:
             or Q_index < 0
             or (self.Q is not None and Q_index >= len(self.Q))
         ):
-            raise IndexError("Q_index must be a valid index for the Q values.")
+            raise IndexError('Q_index must be a valid index for the Q values.')
 
-        energy = self._binned_data.coords["energy"]
+        energy = self._binned_data.coords['energy']
         _, _, _, mask = self._extract_x_y_weights_only_finite(Q_index=Q_index)
 
-        mask_var = sc.array(dims=["energy"], values=mask)
+        mask_var = sc.array(dims=['energy'], values=mask)
         masked_energy = energy[mask_var]
         return masked_energy
 
@@ -219,19 +217,19 @@ def load_hdf5(self, filename: str, display_name: str | None = None) -> None:
                 not a string or None or if the loaded data is not a sc.DataArray.
         """
         if not isinstance(filename, str):
-            raise TypeError(f"Filename must be a string, not {type(filename).__name__}")
+            raise TypeError(f'Filename must be a string, not {type(filename).__name__}')
 
         if display_name is not None:
             if not isinstance(display_name, str):
                 raise TypeError(
-                    f"Display name must be a string, not {type(display_name).__name__}"
+                    f'Display name must be a string, not {type(display_name).__name__}'
                 )
             self.display_name = display_name
 
         loaded_data = sc_load_hdf5(filename)
         if not isinstance(loaded_data, sc.DataArray):
             raise TypeError(
-                f"Loaded data must be a sc.DataArray, not {type(loaded_data).__name__}"
+                f'Loaded data must be a sc.DataArray, not {type(loaded_data).__name__}'
             )
         self._validate_coordinates(loaded_data)
         self.data = loaded_data
@@ -250,13 +248,13 @@ def save_hdf5(self, filename: str | None = None) -> None:
         """
 
         if filename is None:
-            filename = f"{self.unique_name}.h5"
+            filename = f'{self.unique_name}.h5'
 
         if not isinstance(filename, str):
-            raise TypeError(f"Filename must be a string, not {type(filename).__name__}")
+            raise TypeError(f'Filename must be a string, not {type(filename).__name__}')
 
         if self._data is None:
-            raise ValueError("No data to save.")
+            raise ValueError('No data to save.')
 
         dir_name = os.path.dirname(filename)
         if dir_name:
@@ -286,33 +284,31 @@ def rebin(self, dimensions: dict[str, int | sc.Variable]) -> None:
 
         if not isinstance(dimensions, dict):
             raise TypeError(
-                "dimensions must be a dictionary mapping dimension names "
-                "to number of bins or bin values as sc.Variable."
+                'dimensions must be a dictionary mapping dimension names '
+                'to number of bins or bin values as sc.Variable.'
             )
         if self._data is None:
-            raise ValueError("No data to rebin. Please load data first.")
+            raise ValueError('No data to rebin. Please load data first.')
         binned_data = self._data.copy()
         dim_copy = dimensions.copy()
         for dim, value in dim_copy.items():
             if not isinstance(dim, str):
                 raise TypeError(
-                    f"Dimension keys must be strings. Got {type(dim)} for {dim} instead."
+                    f'Dimension keys must be strings. Got {type(dim)} for {dim} instead.'
                 )
             if dim not in self._data.dims:
                 raise KeyError(
                     f"Dimension '{dim}' not a valid dimension for rebinning. "
-                    f"Should be one of {self._data.dims}."
+                    f'Should be one of {self._data.dims}.'
                 )
-            if (
-                isinstance(value, float) and value.is_integer()
-            ):  # I allow eg. 2.0 as well as 2
+            if isinstance(value, float) and value.is_integer():  # I allow eg. 2.0 as well as 2
                 value = int(value)
                 # This line can be removed when scipp resize support
                 # resizing with coordinates
                 dimensions[dim] = value
             if not (isinstance(value, int) or isinstance(value, sc.Variable)):
                 raise TypeError(
-                    f"Dimension values must be integers or sc.Variable. "
+                    f'Dimension values must be integers or sc.Variable. '
                     f"Got {type(value)} for dimension '{dim}' instead."
                 )
             binned_data = binned_data.bin({dim: value})
@@ -338,15 +334,13 @@ def plot_data(self, slicer: bool = False, **kwargs: dict) -> None:
         """
 
         if self._binned_data is None:
-            raise ValueError("No data to plot. Please load data first.")
+            raise ValueError('No data to plot. Please load data first.')
 
         if not _in_notebook():
-            raise RuntimeError(
-                "plot_data() can only be used in a Jupyter notebook environment."
-            )
+            raise RuntimeError('plot_data() can only be used in a Jupyter notebook environment.')
 
         plot_kwargs_defaults = {
-            "title": self.display_name,
+            'title': self.display_name,
         }
         # Overwrite defaults with any user-provided kwargs
         plot_kwargs_defaults.update(kwargs)
@@ -357,7 +351,7 @@ def plot_data(self, slicer: bool = False, **kwargs: dict) -> None:
             )
         else:
             fig = pp.plot(
-                self._binned_data.transpose(dims=["energy", "Q"]),
+                self._binned_data.transpose(dims=['energy', 'Q']),
                 **plot_kwargs_defaults,
             )
         return fig
@@ -378,9 +372,9 @@ def _validate_coordinates(data: sc.DataArray) -> None:
             ValueError: If required coordinates are missing.
         """
         if not isinstance(data, sc.DataArray):
-            raise TypeError("Data must be a sc.DataArray.")
+            raise TypeError('Data must be a sc.DataArray.')
 
-        required_coords = ["Q", "energy"]
+        required_coords = ['Q', 'energy']
         for coord in required_coords:
             if coord not in data.coords:
                 raise ValueError(f"Data is missing required coordinate: '{coord}'")
@@ -401,9 +395,7 @@ def _convert_to_bin_centers(self, data: sc.DataArray) -> sc.DataArray:
                 data = data.assign_coords({dim: sc.midpoints(coord)})
         return data
 
-    def _extract_x_y_var(
-        self, Q_index: int
-    ) -> tuple[np.ndarray, np.ndarray, np.ndarray]:
+    def _extract_x_y_var(self, Q_index: int) -> tuple[np.ndarray, np.ndarray, np.ndarray]:
         """Extract the x, y, and weights arrays from the experiment for
         the given Q index.
 
@@ -415,8 +407,8 @@ def _extract_x_y_var(
                 variances arrays extracted from the experiment for the
                 given Q index.
         """
-        data = self.binned_data["Q", Q_index]
-        x = data.coords["energy"].values
+        data = self.binned_data['Q', Q_index]
+        x = data.coords['energy'].values
         y = data.values
         var = data.variances
         return x, y, var
@@ -455,7 +447,7 @@ def _extract_x_y_weights_only_finite(
         var = var[mask]
 
         if np.any(var == 0):
-            raise ValueError("Cannot compute weights: some variances are zero.")
+            raise ValueError('Cannot compute weights: some variances are zero.')
 
         weights = 1.0 / var**0.5
 
@@ -472,15 +464,15 @@ def __repr__(self) -> str:
             str: A string representation of the Experiment object.
         """
 
-        return f"Experiment `{self.unique_name}` with data: {self._data}"
+        return f'Experiment `{self.unique_name}` with data: {self._data}'
 
-    def __copy__(self) -> "Experiment":
+    def __copy__(self) -> 'Experiment':
         """Return a copy of the object.
 
         Returns:
             Experiment: A copy of the Experiment object.
         """
-        temp = self.to_dict(skip=["unique_name"])
+        temp = self.to_dict(skip=['unique_name'])
         new_obj = self.__class__.from_dict(temp)
         new_obj.data = self.data.copy() if self.data is not None else None
         return new_obj
diff --git a/src/easydynamics/sample_model/background_model.py b/src/easydynamics/sample_model/background_model.py
index e2a1adde6..2f4645f5a 100644
--- a/src/easydynamics/sample_model/background_model.py
+++ b/src/easydynamics/sample_model/background_model.py
@@ -17,9 +17,9 @@ class BackgroundModel(ModelBase):
 
     def __init__(
         self,
-        display_name: str | None = "MyBackgroundModel",
+        display_name: str | None = 'MyBackgroundModel',
         unique_name: str | None = None,
-        unit: str | sc.Unit = "meV",
+        unit: str | sc.Unit = 'meV',
         components: ModelComponent | ComponentCollection | None = None,
         Q: Q_type | None = None,
     ) -> None:
diff --git a/src/easydynamics/sample_model/component_collection.py b/src/easydynamics/sample_model/component_collection.py
index 42a8ec660..24548bf50 100644
--- a/src/easydynamics/sample_model/component_collection.py
+++ b/src/easydynamics/sample_model/component_collection.py
@@ -24,8 +24,8 @@ class ComponentCollection(ModelBase):
 
     def __init__(
         self,
-        unit: str | sc.Unit = "meV",
-        display_name: str | None = "MyComponentCollection",
+        unit: str | sc.Unit = 'meV',
+        display_name: str | None = 'MyComponentCollection',
         unique_name: str | None = None,
         components: list[ModelComponent] | None = None,
     ) -> None:
@@ -49,7 +49,7 @@ def __init__(
 
         if unit is not None and not isinstance(unit, (str, sc.Unit)):
             raise TypeError(
-                f"unit must be None, a string, or a scipp Unit, got {type(unit).__name__}"
+                f'unit must be None, a string, or a scipp Unit, got {type(unit).__name__}'
             )
         self._unit = unit
         self._components = []
@@ -57,9 +57,7 @@ def __init__(
         # Add initial components if provided. Used for serialization.
         if components is not None:
             if not isinstance(components, list):
-                raise TypeError(
-                    "components must be a list of ModelComponent instances."
-                )
+                raise TypeError('components must be a list of ModelComponent instances.')
             for comp in components:
                 self.append_component(comp)
 
@@ -90,12 +88,12 @@ def components(self, components: list[ModelComponent]) -> None:
         """
 
         if not isinstance(components, list):
-            raise TypeError("components must be a list of ModelComponent instances.")
+            raise TypeError('components must be a list of ModelComponent instances.')
         for comp in components:
             if not isinstance(comp, ModelComponent):
                 raise TypeError(
-                    "All items in components must be instances of ModelComponent. "
-                    f"Got {type(comp).__name__} instead."
+                    'All items in components must be instances of ModelComponent. '
+                    f'Got {type(comp).__name__} instead.'
                 )
 
         self._components = components
@@ -122,8 +120,8 @@ def is_empty(self, value: bool) -> None:
             AttributeError: Always raised since is_empty is read-only.
         """
         raise AttributeError(
-            "is_empty is a read-only property that indicates "
-            "whether the collection has components."
+            'is_empty is a read-only property that indicates '
+            'whether the collection has components.'
         )
 
     @property
@@ -149,8 +147,8 @@ def unit(self, unit_str: str) -> None:
 
         raise AttributeError(
             (
-                f"Unit is read-only. Use convert_unit to change the unit between allowed types "
-                f"or create a new {self.__class__.__name__} with the desired unit."
+                f'Unit is read-only. Use convert_unit to change the unit between allowed types '
+                f'or create a new {self.__class__.__name__} with the desired unit.'
             )
         )  # noqa: E501
 
@@ -168,9 +166,7 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
         """
 
         if not isinstance(unit, (str, sc.Unit)):
-            raise TypeError(
-                f"Unit must be a string or sc.Unit, got {type(unit).__name__}"
-            )
+            raise TypeError(f'Unit must be a string or sc.Unit, got {type(unit).__name__}')
 
         old_unit = self._unit
 
@@ -191,9 +187,7 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
     # Component management
     # ------------------------------------------------------------------
 
-    def append_component(
-        self, component: ModelComponent | "ComponentCollection"
-    ) -> None:
+    def append_component(self, component: ModelComponent | 'ComponentCollection') -> None:
         """Append a model component or the components from another
         ComponentCollection to this ComponentCollection.
 
@@ -210,8 +204,8 @@ def append_component(
         """
         if not isinstance(component, (ModelComponent, ComponentCollection)):
             raise TypeError(
-                "Component must be an instance of ModelComponent or ComponentCollection. "
-                f"Got {type(component).__name__} instead."
+                'Component must be an instance of ModelComponent or ComponentCollection. '
+                f'Got {type(component).__name__} instead.'
             )
         if isinstance(component, ModelComponent):
             components = (component,)
@@ -222,7 +216,7 @@ def append_component(
             if comp in self._components:
                 raise ValueError(
                     f"Component '{comp.unique_name}' is already in the collection. "
-                    f"Existing components: {self.list_component_names()}"
+                    f'Existing components: {self.list_component_names()}'
                 )
 
             self._components.append(comp)
@@ -240,7 +234,7 @@ def remove_component(self, unique_name: str) -> None:
         """
 
         if not isinstance(unique_name, str):
-            raise TypeError("Component name must be a string.")
+            raise TypeError('Component name must be a string.')
 
         for comp in self._components:
             if comp.unique_name == unique_name:
@@ -249,8 +243,8 @@ def remove_component(self, unique_name: str) -> None:
 
         raise KeyError(
             f"No component named '{unique_name}' exists. "
-            f"Did you accidentally use the display_name? "
-            f"Here is a list of the components in the collection: {self.list_component_names()}"
+            f'Did you accidentally use the display_name? '
+            f'Here is a list of the components in the collection: {self.list_component_names()}'
         )
 
     @property
@@ -264,8 +258,7 @@ def components(self) -> list[ModelComponent]:
 
     @components.setter
     def components(self, components: list[ModelComponent]) -> None:
-        """
-        Set the components in the collection.
+        """Set the components in the collection.
 
         Args:
             components (list[ModelComponent]): The new components in the collection
@@ -274,20 +267,20 @@ def components(self, components: list[ModelComponent]) -> None:
             TypeError: If components is not a list of ModelComponent
         """
         if not isinstance(components, list):
-            raise TypeError("components must be a list of ModelComponent instances.")
+            raise TypeError('components must be a list of ModelComponent instances.')
         for comp in components:
             if not isinstance(comp, ModelComponent):
                 raise TypeError(
-                    "All items in components must be instances of ModelComponent. "
-                    f"Got {type(comp).__name__} instead."
+                    'All items in components must be instances of ModelComponent. '
+                    f'Got {type(comp).__name__} instead.'
                 )
 
         self._components = components
 
     @property
     def is_empty(self) -> bool:
-        """
-        Returns True if the collection has no components, otherwise False
+        """Returns True if the collection has no components, otherwise
+        False.
 
         Returns:
             bool: True if the collection has no components, otherwise False
@@ -296,8 +289,7 @@ def is_empty(self) -> bool:
 
     @is_empty.setter
     def is_empty(self, value: bool) -> None:
-        """
-        is_empty is read-only.
+        """is_empty is read-only.
 
         Args:
             value (bool): ignored.
@@ -306,8 +298,8 @@ def is_empty(self, value: bool) -> None:
             AttributeError: Always raised since is_empty is read-only
         """
         raise AttributeError(
-            "is_empty is a read-only property that indicates "
-            "whether the collection has components."
+            'is_empty is a read-only property that indicates '
+            'whether the collection has components.'
         )
 
     def list_component_names(self) -> List[str]:
@@ -334,27 +326,27 @@ def normalize_area(self) -> None:
                 would prevent normalization.
         """
         if not self.components:
-            raise ValueError("No components in the model to normalize.")
+            raise ValueError('No components in the model to normalize.')
 
         area_params = []
-        total_area = Parameter(name="total_area", value=0.0, unit=self._unit)
+        total_area = Parameter(name='total_area', value=0.0, unit=self._unit)
 
         for component in self.components:
-            if hasattr(component, "area"):
+            if hasattr(component, 'area'):
                 area_params.append(component.area)
                 total_area += component.area
             else:
                 warnings.warn(
                     f"Component '{component.unique_name}' does not have an 'area' attribute "
-                    f"and will be skipped in normalization.",
+                    f'and will be skipped in normalization.',
                     UserWarning,
                 )
 
         if total_area.value == 0:
-            raise ValueError("Total area is zero; cannot normalize.")
+            raise ValueError('Total area is zero; cannot normalize.')
 
         if not np.isfinite(total_area.value):
-            raise ValueError("Total area is not finite; cannot normalize.")
+            raise ValueError('Total area is not finite; cannot normalize.')
 
         for param in area_params:
             param.value /= total_area.value
@@ -370,15 +362,9 @@ def get_all_variables(self) -> list[DescriptorBase]:
             list[DescriptorBase]: List of parameters in the component.
         """
 
-        return [
-            var
-            for component in self.components
-            for var in component.get_all_variables()
-        ]
+        return [var for component in self.components for var in component.get_all_variables()]
 
-    def evaluate(
-        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
-    ) -> np.ndarray:
+    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
         """Evaluate the sum of all components.
 
         Args:
@@ -414,13 +400,11 @@ def evaluate_component(
                 in the collection.
         """
         if not self.components:
-            raise ValueError("No components in the model to evaluate.")
+            raise ValueError('No components in the model to evaluate.')
 
         if not isinstance(unique_name, str):
             raise TypeError(
-                (
-                    f"Component unique name must be a string, got {type(unique_name)} instead."
-                )
+                (f'Component unique name must be a string, got {type(unique_name)} instead.')
             )
 
         matches = [comp for comp in self.components if comp.unique_name == unique_name]
@@ -474,8 +458,6 @@ def __repr__(self) -> str:
         Returns:
             str: String representation of the ComponentCollection.
         """
-        comp_names = (
-            ", ".join(c.unique_name for c in self.components) or "No components"
-        )
+        comp_names = ', '.join(c.unique_name for c in self.components) or 'No components'
 
         return f"<ComponentCollection unique_name='{self.unique_name}' | Components: {comp_names}>"
diff --git a/src/easydynamics/sample_model/components/damped_harmonic_oscillator.py b/src/easydynamics/sample_model/components/damped_harmonic_oscillator.py
index 65679b534..81a766f74 100644
--- a/src/easydynamics/sample_model/components/damped_harmonic_oscillator.py
+++ b/src/easydynamics/sample_model/components/damped_harmonic_oscillator.py
@@ -30,8 +30,8 @@ def __init__(
         area: Numeric | Parameter = 1.0,
         center: Numeric | Parameter = 1.0,
         width: Numeric | Parameter = 1.0,
-        unit: str | sc.Unit = "meV",
-        display_name: str | None = "DampedHarmonicOscillator",
+        unit: str | sc.Unit = 'meV',
+        display_name: str | None = 'DampedHarmonicOscillator',
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Damped Harmonic Oscillator.
@@ -56,9 +56,7 @@ def __init__(
         )
 
         # These methods live in ValidationMixin
-        area = self._create_area_parameter(
-            area=area, name=display_name, unit=self._unit
-        )
+        area = self._create_area_parameter(area=area, name=display_name, unit=self._unit)
         center = self._create_center_parameter(
             center=center,
             name=display_name,
@@ -67,9 +65,7 @@ def __init__(
             enforce_minimum_center=True,
         )
 
-        width = self._create_width_parameter(
-            width=width, name=display_name, unit=self._unit
-        )
+        width = self._create_width_parameter(width=width, name=display_name, unit=self._unit)
 
         self._area = area
         self._center = center
@@ -95,7 +91,7 @@ def area(self, value: Numeric) -> None:
             TypeError: If the value is not a number.
         """
         if not isinstance(value, Numeric):
-            raise TypeError("area must be a number")
+            raise TypeError('area must be a number')
         self._area.value = value
 
     @property
@@ -119,10 +115,10 @@ def center(self, value: Numeric) -> None:
             ValueError: If the value is not positive.
         """
         if not isinstance(value, Numeric):
-            raise TypeError("center must be a number")
+            raise TypeError('center must be a number')
 
         if float(value) <= 0:
-            raise ValueError("center must be positive")
+            raise ValueError('center must be positive')
         self._center.value = value
 
     @property
@@ -146,16 +142,14 @@ def width(self, value: Numeric) -> None:
             ValueError: If the value is not positive.
         """
         if not isinstance(value, Numeric):
-            raise TypeError("width must be a number")
+            raise TypeError('width must be a number')
 
         if float(value) <= 0:
-            raise ValueError("width must be positive")
+            raise ValueError('width must be positive')
 
         self._width.value = value
 
-    def evaluate(
-        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
-    ) -> np.ndarray:
+    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
         r"""Evaluate the Damped Harmonic Oscillator at the given x
         values.
 
@@ -180,9 +174,7 @@ def evaluate(
 
         normalization = 2 * self.center.value**2 * self.width.value / np.pi
         # No division by zero here, width>0 enforced in setter
-        denominator = (x**2 - self.center.value**2) ** 2 + (
-            2 * self.width.value * x
-        ) ** 2
+        denominator = (x**2 - self.center.value**2) ** 2 + (2 * self.width.value * x) ** 2
 
         return self.area.value * normalization / (denominator)
 
@@ -194,5 +186,7 @@ def __repr__(self) -> str:
             str: A string representation of the Damped Harmonic
                 Oscillator.
         """
-        return f"DampedHarmonicOscillator(display_name = {self.display_name}, unit = {self._unit},\n \
-        area = {self.area},\n center = {self.center},\n width = {self.width})"
+        return (
+            f'DampedHarmonicOscillator(display_name = {self.display_name}, unit = {self._unit},\n \
+        area = {self.area},\n center = {self.center},\n width = {self.width})'
+        )
diff --git a/src/easydynamics/sample_model/components/delta_function.py b/src/easydynamics/sample_model/components/delta_function.py
index 08b81c4e7..4dbf80444 100644
--- a/src/easydynamics/sample_model/components/delta_function.py
+++ b/src/easydynamics/sample_model/components/delta_function.py
@@ -28,8 +28,8 @@ def __init__(
         self,
         center: Numeric | Parameter | None = None,
         area: Numeric | Parameter = 1.0,
-        unit: str | sc.Unit = "meV",
-        display_name: str | None = "DeltaFunction",
+        unit: str | sc.Unit = 'meV',
+        display_name: str | None = 'DeltaFunction',
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Delta function.
@@ -51,9 +51,7 @@ def __init__(
         )
 
         # These methods live in ValidationMixin
-        area = self._create_area_parameter(
-            area=area, name=display_name, unit=self._unit
-        )
+        area = self._create_area_parameter(area=area, name=display_name, unit=self._unit)
         center = self._create_center_parameter(
             center=center, name=display_name, fix_if_none=True, unit=self._unit
         )
@@ -83,7 +81,7 @@ def area(self, value: Numeric) -> None:
         """
 
         if not isinstance(value, Numeric):
-            raise TypeError("area must be a number")
+            raise TypeError('area must be a number')
         self._area.value = value
 
     @property
@@ -112,12 +110,10 @@ def center(self, value: Numeric | None) -> None:
             value = 0.0
             self._center.fixed = True
         if not isinstance(value, Numeric):
-            raise TypeError("center must be a number")
+            raise TypeError('center must be a number')
         self._center.value = value
 
-    def evaluate(
-        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
-    ) -> np.ndarray:
+    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
         """Evaluate the Delta function at the given x values.
 
         The Delta function evaluates to zero everywhere, except at the
@@ -169,5 +165,5 @@ def __repr__(self) -> str:
             str: A string representation of the Delta function.
         """
 
-        return f"DeltaFunction(unique_name = {self.unique_name}, unit = {self._unit},\n \
-        area = {self.area},\n center = {self.center}"
+        return f'DeltaFunction(unique_name = {self.unique_name}, unit = {self._unit},\n \
+        area = {self.area},\n center = {self.center}'
diff --git a/src/easydynamics/sample_model/components/exponential.py b/src/easydynamics/sample_model/components/exponential.py
index f7c30b91e..14e82c229 100644
--- a/src/easydynamics/sample_model/components/exponential.py
+++ b/src/easydynamics/sample_model/components/exponential.py
@@ -18,9 +18,7 @@ class Exponential(CreateParametersMixin, ModelComponent):
 
     The intensity is given by
 
-    $$
-    I(x) = A e^{B (x-x_0)},
-    $$
+    $$ I(x) = A e^{B (x-x_0)}, $$
 
     where $A$ is the amplitude, $x_0$ is the center, and $B$ describes
     the rate of decay or growth.
@@ -31,8 +29,8 @@ def __init__(
         amplitude: Numeric | Parameter = 1.0,
         center: Numeric | Parameter | None = None,
         rate: Numeric | Parameter = 1.0,
-        unit: str | sc.Unit = "meV",
-        display_name: str | None = "Exponential",
+        unit: str | sc.Unit = 'meV',
+        display_name: str | None = 'Exponential',
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Exponential component.
@@ -61,14 +59,14 @@ def __init__(
         )
 
         if not isinstance(amplitude, (Parameter, Numeric)):
-            raise TypeError("amplitude must be a number or a Parameter.")
+            raise TypeError('amplitude must be a number or a Parameter.')
 
         if isinstance(amplitude, Numeric):
             if not np.isfinite(amplitude):
-                raise ValueError("amplitude must be a finite number or a Parameter")
+                raise ValueError('amplitude must be a finite number or a Parameter')
 
             amplitude = Parameter(
-                name=display_name + " amplitude", value=float(amplitude), unit=unit
+                name=display_name + ' amplitude', value=float(amplitude), unit=unit
             )
 
         center = self._create_center_parameter(
@@ -76,15 +74,13 @@ def __init__(
         )
 
         if not isinstance(rate, (Parameter, Numeric)):
-            raise TypeError("rate must be a number or a Parameter.")
+            raise TypeError('rate must be a number or a Parameter.')
 
         if isinstance(rate, Numeric):
             if not np.isfinite(rate):
-                raise ValueError("rate must be a finite number or a Parameter")
+                raise ValueError('rate must be a finite number or a Parameter')
 
-            rate = Parameter(
-                name=display_name + " rate", value=float(rate), unit="1/" + str(unit)
-            )
+            rate = Parameter(name=display_name + ' rate', value=float(rate), unit='1/' + str(unit))
 
         self._amplitude = amplitude
         self._center = center
@@ -112,7 +108,7 @@ def amplitude(self, value: Numeric) -> None:
         """
 
         if not isinstance(value, Numeric):
-            raise TypeError("amplitude must be a number")
+            raise TypeError('amplitude must be a number')
         self._amplitude.value = value
 
     @property
@@ -142,7 +138,7 @@ def center(self, value: Numeric | None) -> None:
             self._center.fixed = True
 
         if not isinstance(value, Numeric):
-            raise TypeError("center must be a number")
+            raise TypeError('center must be a number')
         self._center.value = value
 
     @property
@@ -166,7 +162,7 @@ def rate(self, value: Numeric) -> None:
             TypeError: If the value is not a number.
         """
         if not isinstance(value, Numeric):
-            raise TypeError("rate must be a number")
+            raise TypeError('rate must be a number')
 
         self._rate.value = value
 
@@ -212,21 +208,21 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
         """
 
         if not isinstance(unit, (str, sc.Unit)):
-            raise TypeError("unit must be a string or sc.Unit")
+            raise TypeError('unit must be a string or sc.Unit')
 
         old_unit = self._unit
         pars = [self.amplitude, self.center]
         try:
             for p in pars:
                 p.convert_unit(unit)
-            self.rate.convert_unit("1/" + str(unit))
+            self.rate.convert_unit('1/' + str(unit))
             self._unit = unit
         except Exception as e:
             # Attempt to rollback on failure
             try:
                 for p in pars:
                     p.convert_unit(old_unit)
-                self.rate.convert_unit("1/" + str(old_unit))
+                self.rate.convert_unit('1/' + str(old_unit))
             except Exception:  # noqa: S110
                 pass  # Best effort rollback
             raise e
@@ -238,5 +234,5 @@ def __repr__(self) -> str:
             str: A string representation of the Exponential.
         """
 
-        return f"Exponential(unique_name = {self.unique_name}, unit = {self._unit},\n \
-            amplitude = {self.amplitude},\n center = {self.center},\n rate = {self.rate})"
+        return f'Exponential(unique_name = {self.unique_name}, unit = {self._unit},\n \
+            amplitude = {self.amplitude},\n center = {self.center},\n rate = {self.rate})'
diff --git a/src/easydynamics/sample_model/components/gaussian.py b/src/easydynamics/sample_model/components/gaussian.py
index 8216586f0..892577e17 100644
--- a/src/easydynamics/sample_model/components/gaussian.py
+++ b/src/easydynamics/sample_model/components/gaussian.py
@@ -38,8 +38,8 @@ def __init__(
         area: Numeric | Parameter = 1.0,
         center: Numeric | Parameter | None = None,
         width: Numeric | Parameter = 1.0,
-        unit: str | sc.Unit = "meV",
-        display_name: str | None = "Gaussian",
+        unit: str | sc.Unit = 'meV',
+        display_name: str | None = 'Gaussian',
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Gaussian component.
@@ -62,15 +62,11 @@ def __init__(
         )
 
         # These methods live in ValidationMixin
-        area = self._create_area_parameter(
-            area=area, name=display_name, unit=self._unit
-        )
+        area = self._create_area_parameter(area=area, name=display_name, unit=self._unit)
         center = self._create_center_parameter(
             center=center, name=display_name, fix_if_none=True, unit=self._unit
         )
-        width = self._create_width_parameter(
-            width=width, name=display_name, unit=self._unit
-        )
+        width = self._create_width_parameter(width=width, name=display_name, unit=self._unit)
 
         self._area = area
         self._center = center
@@ -98,7 +94,7 @@ def area(self, value: Numeric) -> None:
         """
 
         if not isinstance(value, Numeric):
-            raise TypeError("area must be a number")
+            raise TypeError('area must be a number')
         self._area.value = value
 
     @property
@@ -127,7 +123,7 @@ def center(self, value: Numeric | None) -> None:
             value = 0.0
             self._center.fixed = True
         if not isinstance(value, Numeric):
-            raise TypeError("center must be a number")
+            raise TypeError('center must be a number')
         self._center.value = value
 
     @property
@@ -152,10 +148,10 @@ def width(self, value: Numeric) -> None:
             ValueError: If the value is not positive.
         """
         if not isinstance(value, Numeric):
-            raise TypeError("width must be a number")
+            raise TypeError('width must be a number')
 
         if float(value) <= 0:
-            raise ValueError("width must be positive")
+            raise ValueError('width must be positive')
 
         self._width.value = value
 
@@ -203,5 +199,5 @@ def __repr__(self) -> str:
             str: A string representation of the Gaussian.
         """
 
-        return f"Gaussian(unique_name = {self.unique_name}, unit = {self._unit},\n \
-            area = {self.area},\n center = {self.center},\n width = {self.width})"
+        return f'Gaussian(unique_name = {self.unique_name}, unit = {self._unit},\n \
+            area = {self.area},\n center = {self.center},\n width = {self.width})'
diff --git a/src/easydynamics/sample_model/components/lorentzian.py b/src/easydynamics/sample_model/components/lorentzian.py
index 6a0375db6..8f5697bd5 100644
--- a/src/easydynamics/sample_model/components/lorentzian.py
+++ b/src/easydynamics/sample_model/components/lorentzian.py
@@ -32,8 +32,8 @@ def __init__(
         area: Numeric | Parameter = 1.0,
         center: Numeric | Parameter | None = None,
         width: Numeric | Parameter = 1.0,
-        unit: str | sc.Unit = "meV",
-        display_name: str | None = "Lorentzian",
+        unit: str | sc.Unit = 'meV',
+        display_name: str | None = 'Lorentzian',
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Lorentzian component.
@@ -57,15 +57,11 @@ def __init__(
         )
 
         # These methods live in ValidationMixin
-        area = self._create_area_parameter(
-            area=area, name=display_name, unit=self._unit
-        )
+        area = self._create_area_parameter(area=area, name=display_name, unit=self._unit)
         center = self._create_center_parameter(
             center=center, name=display_name, fix_if_none=True, unit=self._unit
         )
-        width = self._create_width_parameter(
-            width=width, name=display_name, unit=self._unit
-        )
+        width = self._create_width_parameter(width=width, name=display_name, unit=self._unit)
 
         self._area = area
         self._center = center
@@ -91,7 +87,7 @@ def area(self, value: Numeric) -> None:
             TypeError: If the value is not a number.
         """
         if not isinstance(value, Numeric):
-            raise TypeError("area must be a number")
+            raise TypeError('area must be a number')
         self._area.value = value
 
     @property
@@ -119,7 +115,7 @@ def center(self, value: Numeric | None) -> None:
             value = 0.0
             self._center.fixed = True
         if not isinstance(value, Numeric):
-            raise TypeError("center must be a number")
+            raise TypeError('center must be a number')
         self._center.value = value
 
     @property
@@ -144,15 +140,13 @@ def width(self, value: Numeric) -> None:
             ValueError: If the value is not positive.
         """
         if not isinstance(value, Numeric):
-            raise TypeError("width must be a number")
+            raise TypeError('width must be a number')
 
         if float(value) <= 0:
-            raise ValueError("width must be positive")
+            raise ValueError('width must be positive')
         self._width.value = value
 
-    def evaluate(
-        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
-    ) -> np.ndarray:
+    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
         r"""Evaluate the Lorentzian at the given x values.
 
         If x is a scipp Variable, the unit of the Lorentzian will be
@@ -188,5 +182,5 @@ def __repr__(self) -> str:
         Returns:
             str: A string representation of the Lorentzian.
         """
-        return f"Lorentzian(unique_name = {self.unique_name}, unit = {self._unit},\n \
-            area = {self.area},\n center = {self.center},\n width = {self.width})"
+        return f'Lorentzian(unique_name = {self.unique_name}, unit = {self._unit},\n \
+            area = {self.area},\n center = {self.center},\n width = {self.width})'
diff --git a/src/easydynamics/sample_model/components/mixins.py b/src/easydynamics/sample_model/components/mixins.py
index 22f9cc221..97c324224 100644
--- a/src/easydynamics/sample_model/components/mixins.py
+++ b/src/easydynamics/sample_model/components/mixins.py
@@ -27,7 +27,7 @@ def _create_area_parameter(
         self,
         area: Numeric | Parameter,
         name: str,
-        unit: str | sc.Unit = "meV",
+        unit: str | sc.Unit = 'meV',
         minimum_area: float = MINIMUM_AREA,
     ) -> Parameter:
         """Validate and convert a number to a Parameter describing the
@@ -52,17 +52,17 @@ def _create_area_parameter(
                 Parameter has a non-finite value.
         """
         if not isinstance(area, (Parameter, Numeric)):
-            raise TypeError("area must be a number or a Parameter.")
+            raise TypeError('area must be a number or a Parameter.')
 
         if isinstance(area, Numeric):
             if not np.isfinite(area):
-                raise ValueError("area must be a finite number or a Parameter")
+                raise ValueError('area must be a finite number or a Parameter')
 
-            area = Parameter(name=name + " area", value=float(area), unit=unit)
+            area = Parameter(name=name + ' area', value=float(area), unit=unit)
 
         if area.value < 0:
             warnings.warn(
-                f"The area of {name} is negative, which may not be physically meaningful."
+                f'The area of {name} is negative, which may not be physically meaningful.'
             )
         else:
             area.min = minimum_area
@@ -74,7 +74,7 @@ def _create_center_parameter(
         center: Numeric | Parameter | None,
         name: str,
         fix_if_none: bool,
-        unit: str | sc.Unit = "meV",
+        unit: str | sc.Unit = 'meV',
         enforce_minimum_center: bool = False,
     ) -> Parameter:
         """Validate and convert a number to a Parameter describing the
@@ -101,20 +101,20 @@ def _create_center_parameter(
                 center is a Parameter but has a non-finite value.
         """
         if center is not None and not isinstance(center, (Numeric, Parameter)):
-            raise TypeError("center must be None, a number, or a Parameter.")
+            raise TypeError('center must be None, a number, or a Parameter.')
 
         if center is None:
             center = Parameter(
-                name=name + " center",
+                name=name + ' center',
                 value=0.0,
                 unit=unit,
                 fixed=fix_if_none,
             )
         elif isinstance(center, Numeric):
             if not np.isfinite(center):
-                raise ValueError("center must be None, a finite number or a Parameter")
+                raise ValueError('center must be None, a finite number or a Parameter')
 
-            center = Parameter(name=name + " center", value=float(center), unit=unit)
+            center = Parameter(name=name + ' center', value=float(center), unit=unit)
         if enforce_minimum_center:
             center.min = DHO_MINIMUM_CENTER
         return center
@@ -123,8 +123,8 @@ def _create_width_parameter(
         self,
         width: Numeric | Parameter,
         name: str,
-        param_name: str = "width",
-        unit: str | sc.Unit = "meV",
+        param_name: str = 'width',
+        unit: str | sc.Unit = 'meV',
         minimum_width: float = MINIMUM_WIDTH,
     ) -> Parameter:
         """Validate and convert a number to a Parameter describing the
@@ -146,18 +146,18 @@ def _create_width_parameter(
             ValueError: If width is non-positive.
         """
         if not isinstance(width, (Numeric, Parameter)):
-            raise TypeError(f"{param_name} must be a number or a Parameter.")
+            raise TypeError(f'{param_name} must be a number or a Parameter.')
 
         if isinstance(width, Numeric):
             if not np.isfinite(width):
-                raise ValueError(f"{param_name} must be a finite number or a Parameter")
+                raise ValueError(f'{param_name} must be a finite number or a Parameter')
 
             if float(width) < minimum_width:
                 raise ValueError(
-                    f"The {param_name} of a {self.__class__.__name__} must be greater than zero."
+                    f'The {param_name} of a {self.__class__.__name__} must be greater than zero.'
                 )
             width = Parameter(
-                name=name + " " + param_name,
+                name=name + ' ' + param_name,
                 value=float(width),
                 unit=unit,
                 min=minimum_width,
@@ -165,7 +165,7 @@ def _create_width_parameter(
         else:
             if width.value <= 0:
                 raise ValueError(
-                    f"The {param_name} of a {self.__class__.__name__} must be greater than zero."
+                    f'The {param_name} of a {self.__class__.__name__} must be greater than zero.'
                 )
             width.min = minimum_width
 
diff --git a/src/easydynamics/sample_model/components/model_component.py b/src/easydynamics/sample_model/components/model_component.py
index 03567f52f..176d32e48 100644
--- a/src/easydynamics/sample_model/components/model_component.py
+++ b/src/easydynamics/sample_model/components/model_component.py
@@ -19,7 +19,7 @@ class ModelComponent(ModelBase):
 
     def __init__(
         self,
-        unit: str | sc.Unit = "meV",
+        unit: str | sc.Unit = 'meV',
         display_name: str | None = None,
         unique_name: str | None = None,
     ) -> None:
@@ -59,8 +59,8 @@ def unit(self, unit_str: str) -> None:
         """
         raise AttributeError(
             (
-                f"Unit is read-only. Use convert_unit to change the unit between allowed types "
-                f"or create a new {self.__class__.__name__} with the desired unit."
+                f'Unit is read-only. Use convert_unit to change the unit between allowed types '
+                f'or create a new {self.__class__.__name__} with the desired unit.'
             )
         )  # noqa: E501
 
@@ -102,10 +102,10 @@ def _prepare_x_for_evaluate(
             coords = dict(x.coords)
             ncoords = len(coords)
             if ncoords != 1:
-                coord_names = ", ".join(coords.keys())
+                coord_names = ', '.join(coords.keys())
                 raise ValueError(
-                    f"scipp.DataArray must have exactly one coordinate to be used as input `x`. "
-                    f"Found {ncoords} coordinates: {coord_names}."
+                    f'scipp.DataArray must have exactly one coordinate to be used as input `x`. '
+                    f'Found {ncoords} coordinates: {coord_names}.'
                 )
             # get the coordinate, it's a sc.Variable
             coord_name, coord_obj = next(iter(coords.items()))
@@ -123,15 +123,15 @@ def _prepare_x_for_evaluate(
                     self.convert_unit(x.unit.name)
                 except Exception as e:
                     raise UnitError(
-                        f"Input x has unit {x.unit}, but {self.__class__.__name__} component \
+                        f'Input x has unit {x.unit}, but {self.__class__.__name__} component \
                             has unit {self._unit}. \
-                                Failed to convert {self.__class__.__name__} to {x.unit}."
+                                Failed to convert {self.__class__.__name__} to {x.unit}.'
                     ) from e
 
                 warnings.warn(
-                    f"Input x has unit {x.unit}, but {self.__class__.__name__} component \
+                    f'Input x has unit {x.unit}, but {self.__class__.__name__} component \
                         has unit {self_unit_for_warning}. \
-                            Converting {self.__class__.__name__} to {x.unit}."
+                            Converting {self.__class__.__name__} to {x.unit}.'
                 )
         else:
             x_in = x
@@ -142,10 +142,10 @@ def _prepare_x_for_evaluate(
             x_in = np.array(x_in)
 
         if any(np.isnan(x_in)):
-            raise ValueError("Input x contains NaN values.")
+            raise ValueError('Input x contains NaN values.')
 
         if any(np.isinf(x_in)):
-            raise ValueError("Input x contains infinite values.")
+            raise ValueError('Input x contains infinite values.')
 
         return np.sort(x_in)
 
@@ -161,7 +161,7 @@ def validate_unit(unit: str | sc.Unit | None) -> None:
         """
         if unit is not None and not isinstance(unit, (str, sc.Unit)):
             raise TypeError(
-                f"unit must be None, a string, or a scipp Unit, got {type(unit).__name__}"
+                f'unit must be None, a string, or a scipp Unit, got {type(unit).__name__}'
             )
 
     def convert_unit(self, unit: str | sc.Unit) -> None:
@@ -176,9 +176,7 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
                 with the component's parameters.
         """
         if not isinstance(unit, (str, sc.Unit)):
-            raise TypeError(
-                f"Unit must be a string or sc.Unit, got {type(unit).__name__}"
-            )
+            raise TypeError(f'Unit must be a string or sc.Unit, got {type(unit).__name__}')
 
         old_unit = self._unit
         pars = self.get_all_parameters()
@@ -190,16 +188,14 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
             # Attempt to rollback on failure
             try:
                 for p in pars:
-                    if hasattr(p, "convert_unit"):
+                    if hasattr(p, 'convert_unit'):
                         p.convert_unit(old_unit)
             except Exception:  # noqa: S110
                 pass  # Best effort rollback
             raise e
 
     @abstractmethod
-    def evaluate(
-        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
-    ) -> np.ndarray:
+    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
         """Abstract method to evaluate the model component at input x.
         Must be implemented by subclasses.
 
@@ -219,4 +215,4 @@ def __repr__(self) -> str:
             str: A string representation of the ModelComponent.
         """
 
-        return f"{self.__class__.__name__}(unique_name={self.unique_name}, unit={self._unit})"
+        return f'{self.__class__.__name__}(unique_name={self.unique_name}, unit={self._unit})'
diff --git a/src/easydynamics/sample_model/components/polynomial.py b/src/easydynamics/sample_model/components/polynomial.py
index e5ecaa117..554fb2545 100644
--- a/src/easydynamics/sample_model/components/polynomial.py
+++ b/src/easydynamics/sample_model/components/polynomial.py
@@ -30,8 +30,8 @@ class Polynomial(ModelComponent):
     def __init__(
         self,
         coefficients: Sequence[Numeric | Parameter] = (0.0,),
-        unit: str | sc.Unit = "meV",
-        display_name: str | None = "Polynomial",
+        unit: str | sc.Unit = 'meV',
+        display_name: str | None = 'Polynomial',
         unique_name: str | None = None,
     ) -> None:
         """Initialize the Polynomial component.
@@ -58,12 +58,12 @@ def __init__(
 
         if not isinstance(coefficients, (list, tuple, np.ndarray)):
             raise TypeError(
-                "coefficients must be a sequence (list/tuple/ndarray) \
-                    of numbers or Parameter objects."
+                'coefficients must be a sequence (list/tuple/ndarray) \
+                    of numbers or Parameter objects.'
             )
 
         if len(coefficients) == 0:
-            raise ValueError("At least one coefficient must be provided.")
+            raise ValueError('At least one coefficient must be provided.')
 
         # Internal storage of Parameter objects
         self._coefficients: list[Parameter] = []
@@ -73,11 +73,9 @@ def __init__(
             if isinstance(coef, Parameter):
                 param = coef
             elif isinstance(coef, Numeric):
-                param = Parameter(name=f"{display_name}_c{i}", value=float(coef))
+                param = Parameter(name=f'{display_name}_c{i}', value=float(coef))
             else:
-                raise TypeError(
-                    "Each coefficient must be either a numeric value or a Parameter."
-                )
+                raise TypeError('Each coefficient must be either a numeric value or a Parameter.')
             self._coefficients.append(param)
 
         # Helper scipp scalar to track unit conversions
@@ -112,11 +110,11 @@ def coefficients(self, coeffs: Sequence[Numeric | Parameter]) -> None:
         """
         if not isinstance(coeffs, (list, tuple, np.ndarray)):
             raise TypeError(
-                "coefficients must be a sequence (list/tuple/ndarray) of numbers or Parameter ."
+                'coefficients must be a sequence (list/tuple/ndarray) of numbers or Parameter .'
             )
         if len(coeffs) != len(self._coefficients):
             raise ValueError(
-                "Number of coefficients must match the existing number of coefficients."
+                'Number of coefficients must match the existing number of coefficients.'
             )
         for i, coef in enumerate(coeffs):
             if isinstance(coef, Parameter):
@@ -125,9 +123,7 @@ def coefficients(self, coeffs: Sequence[Numeric | Parameter]) -> None:
             elif isinstance(coef, Numeric):
                 self._coefficients[i].value = float(coef)
             else:
-                raise TypeError(
-                    "Each coefficient must be either a numeric value or a Parameter."
-                )
+                raise TypeError('Each coefficient must be either a numeric value or a Parameter.')
 
     def coefficient_values(self) -> list[float]:
         """Get the coefficients of the polynomial as a list.
@@ -138,9 +134,7 @@ def coefficient_values(self) -> list[float]:
         coefficient_list = [param.value for param in self._coefficients]
         return coefficient_list
 
-    def evaluate(
-        self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray
-    ) -> np.ndarray:
+    def evaluate(self, x: Numeric | list | np.ndarray | sc.Variable | sc.DataArray) -> np.ndarray:
         r"""Evaluate the Polynomial at the given x values.
 
         The intensity is given by
@@ -166,8 +160,8 @@ def evaluate(
 
         if any(result < 0):
             warnings.warn(
-                f"The Polynomial with unique_name {self.unique_name} has negative values, "
-                "which may not be physically meaningful.",
+                f'The Polynomial with unique_name {self.unique_name} has negative values, '
+                'which may not be physically meaningful.',
                 UserWarning,
             )
         return result
@@ -194,8 +188,8 @@ def degree(self, value: int) -> None:
                 directly.
         """
         raise AttributeError(
-            "The degree of the polynomial is determined by the number of coefficients \
-                and cannot be set directly."
+            'The degree of the polynomial is determined by the number of coefficients \
+                and cannot be set directly.'
         )
 
     def get_all_variables(self) -> list[DescriptorBase]:
@@ -217,14 +211,12 @@ def convert_unit(self, unit: str | sc.Unit) -> None:
         """
 
         if not isinstance(unit, (str, sc.Unit)):
-            raise UnitError("unit must be a string or a scipp unit.")
+            raise UnitError('unit must be a string or a scipp unit.')
 
         # Find out how much the unit changes
         # by converting a helper variable
         conversion_value_before = self._unit_conversion_helper.value
-        self._unit_conversion_helper = sc.to_unit(
-            self._unit_conversion_helper, unit=unit
-        )
+        self._unit_conversion_helper = sc.to_unit(self._unit_conversion_helper, unit=unit)
         conversion_value_after = self._unit_conversion_helper.value
         for i, param in enumerate(self._coefficients):
             param.value *= (
@@ -240,11 +232,9 @@ def __repr__(self) -> str:
             str: A string representation of the Polynomial.
         """
 
-        coeffs_str = ", ".join(
-            f"{param.name}={param.value}" for param in self._coefficients
-        )
-        return f"Polynomial(unique_name = {self.unique_name}, \
-            unit = {self._unit},\n coefficients = [{coeffs_str}])"
+        coeffs_str = ', '.join(f'{param.name}={param.value}' for param in self._coefficients)
+        return f'Polynomial(unique_name = {self.unique_name}, \
+            unit = {self._unit},\n coefficients = [{coeffs_str}])'
 
 
 # from typing import Callable, Dict
diff --git a/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py b/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
index 8234e812d..881a158a1 100644
--- a/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
+++ b/src/easydynamics/sample_model/diffusion_model/brownian_translational_diffusion.py
@@ -50,7 +50,8 @@ def __init__(
         """Initialize a new BrownianTranslationalDiffusion model.
 
         Args:
-            display_name (str | None, default='BrownianTranslationalDiffusion'): Display name of the diffusion model.
+            display_name (str | None, default='BrownianTranslationalDiffusion'):
+                Display name of the diffusion model.
             unique_name (str | None, default=None): Unique name of the diffusion
                 model. If None, a unique name will be generated.
             unit (str | sc.Unit, default='meV'): Unit of the diffusion model. Must be
diff --git a/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py b/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
index 7a0d3e08f..2f23779bf 100644
--- a/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
+++ b/src/easydynamics/sample_model/diffusion_model/diffusion_model_base.py
@@ -23,7 +23,8 @@ def __init__(
         """Initialize a new DiffusionModel.
 
         Args:
-            display_name (str | None, default='MyDiffusionModel'): Display name of the diffusion model.
+            display_name (str | None, default='MyDiffusionModel'):
+                Display name of the diffusion model.
             unique_name (str | None, default=None): Unique name of the diffusion
                 model. If None, a unique name will be generated.
             scale (Numeric, default=1.0): Scale factor for the diffusion model. Must
diff --git a/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py b/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py
index 629251723..bc27f3d86 100644
--- a/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py
+++ b/src/easydynamics/sample_model/diffusion_model/jump_translational_diffusion.py
@@ -56,7 +56,8 @@ def __init__(
         """Initialize a new JumpTranslationalDiffusion model.
 
         Args:
-            display_name (str | None, default="JumpTranslationalDiffusion"): Display name of the diffusion model.
+            display_name (str | None, default="JumpTranslationalDiffusion"):
+                Display name of the diffusion model.
             unique_name (str | None, default=None): Unique name of the diffusion
                 model. If None, a unique name will be generated.
             unit (str | sc.Unit, default="meV"): Unit of the diffusion model. Must be
@@ -237,8 +238,8 @@ def create_component_collections(
         Args:
             Q (Q_type): Scattering vector in 1/angstrom. Can be a single
                 value or an array of values.
-            component_display_name (str, default="Jump translational diffusion"): Name of the Jump Diffusion
-                Lorentzian component.
+            component_display_name (str, default="Jump translational diffusion"):
+                Name of the Jump Diffusion Lorentzian component.
 
         Returns:
             List[ComponentCollection]: List of ComponentCollections with
diff --git a/src/easydynamics/sample_model/sample_model.py b/src/easydynamics/sample_model/sample_model.py
index ea5623afa..5cf9bf77c 100644
--- a/src/easydynamics/sample_model/sample_model.py
+++ b/src/easydynamics/sample_model/sample_model.py
@@ -62,7 +62,9 @@ def __init__(
 
         Raises:
             TypeError: If diffusion_models is not a DiffusionModelBase,
-                a list of DiffusionModelBase, or None, or if temperature is not a number or None, or if divide_by_temperature is not a bool.
+                a list of DiffusionModelBase, or None, or if temperature
+                is not a number or None, or if divide_by_temperature is
+                not a bool.
             ValueError: If temperature is negative.
         """
         if diffusion_models is None:
@@ -373,7 +375,9 @@ def get_all_variables(self, Q_index: int | None = None) -> list[Parameter]:
                 get variables from all ComponentCollections.
 
         Returns:
-            list[Parameter]: List of all Parameters and Descriptors, including temperature if set and all variables from diffusion models.
+            list[Parameter]: List of all Parameters and Descriptors,
+                including temperature if set and all variables from
+                diffusion models.
         """
 
         all_vars = super().get_all_variables(Q_index=Q_index)
diff --git a/src/easydynamics/utils/detailed_balance.py b/src/easydynamics/utils/detailed_balance.py
index 8b47b22da..086917fa3 100644
--- a/src/easydynamics/utils/detailed_balance.py
+++ b/src/easydynamics/utils/detailed_balance.py
@@ -60,10 +60,18 @@ def _detailed_balance_factor(
             given energy and temperature.
 
     Raises:
-        TypeError: If energy or temperature is not a number, list, numpy array, or scipp Variable, or if energy_unit or temperature_unit is not a string or scipp Unit, or if divide_by_temperature is not a boolean.
-        ValueError: If temperature is negative, or if energy is a numpy array with more than 1 dimension, or if temperature is a scipp Variable that does not have a single dimension named 'temperature', or if energy is a scipp Variable that does not have a single dimension named 'energy'.
-        UnitError: If the provided energy_unit or temperature_unit is invalid, or if the units of energy or temperature cannot be converted to the expected
-            units.
+        TypeError: If energy or temperature is not a number, list,
+            numpy array, or scipp Variable, or if energy_unit or
+            temperature_unit is not a string or scipp Unit,
+            or if divide_by_temperature is not a boolean.
+        ValueError: If temperature is negative, or if energy is a numpy
+            array with more than 1 dimension, or if temperature is a
+            scipp Variable that does not have a single dimension named
+            'temperature', or if energy is a scipp Variable that does
+            not have a single dimension named 'energy'.
+        UnitError: If the provided energy_unit or temperature_unit is
+            invalid, or if the units of energy or temperature cannot be
+            converted to the expected units.
         ZeroDivisionError: If divide_by_temperature is True and temperature is zero.
 
     Examples:

From e68c9e3cf90d251d362adcd0247c60ac76c50b3d Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Mon, 16 Mar 2026 11:36:21 +0100
Subject: [PATCH 29/31] fix tests

---
 src/easydynamics/utils/utils.py                           | 2 +-
 tests/unit/easydynamics/sample_model/test_sample_model.py | 2 +-
 2 files changed, 2 insertions(+), 2 deletions(-)

diff --git a/src/easydynamics/utils/utils.py b/src/easydynamics/utils/utils.py
index 0ef80f1fd..ec5cb0563 100644
--- a/src/easydynamics/utils/utils.py
+++ b/src/easydynamics/utils/utils.py
@@ -31,7 +31,7 @@ def _validate_and_convert_Q(
     """
     if Q is None:
         return None
-    if not isinstance(Q, (np.ndarray | Numeric | list | ArrayLike | sc.Variable)):
+    if not isinstance(Q, (np.ndarray, Numeric, list, sc.Variable)):
         raise TypeError('Q must be a number, list, numpy array, or scipp Variable.')
 
     if isinstance(Q, Numeric):
diff --git a/tests/unit/easydynamics/sample_model/test_sample_model.py b/tests/unit/easydynamics/sample_model/test_sample_model.py
index 22a5f2fb5..e1f7223e9 100644
--- a/tests/unit/easydynamics/sample_model/test_sample_model.py
+++ b/tests/unit/easydynamics/sample_model/test_sample_model.py
@@ -352,7 +352,7 @@ def test_generate_component_collections(self, sample_model):
             assert collection.components[0].area.value == 1.0
             assert collection.components[1].display_name == 'TestLorentzian1'
             assert collection.components[1].area.value == 2.0
-            assert collection.components[2].display_name == 'Brownian translational diffusion'
+            assert collection.components[2].display_name == 'Brownian diffusion'
             assert isinstance(collection.components[2], Lorentzian)
 
     def test_get_all_variables(self, sample_model):

From 16197df7c96bb805174422b82238fe9e8e369416 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Mon, 16 Mar 2026 12:08:02 +0100
Subject: [PATCH 30/31] add a few tests

---
 .../analysis1dnc5wfazv_nbqa_ipynb.py          |  54 +++++
 .../tutorials/analysis5dsibvoj_nbqa_ipynb.py  | 208 ++++++++++++++++++
 ...component_collectionnkus_vfh_nbqa_ipynb.py |  39 ++++
 .../componentsxo0xyr8r_nbqa_ipynb.py          |  76 +++++++
 .../convolution98p78z7o_nbqa_ipynb.py         | 167 ++++++++++++++
 .../detailed_balancetqju34kv_nbqa_ipynb.py    |  46 ++++
 .../diffusion_model58y3qb6__nbqa_ipynb.py     |  53 +++++
 .../experimentbgw31e06_nbqa_ipynb.py          |  29 +++
 .../tutorials/indexqpz_wmw5_nbqa_ipynb.py     |   0
 .../instrument_modelw4cdd861_nbqa_ipynb.py    |  35 +++
 .../sample_modelzmrku316_nbqa_ipynb.py        |  89 ++++++++
 .../tutorial1_browniant5se346o_nbqa_ipynb.py  | 193 ++++++++++++++++
 .../sample_model/components/exponential.py    |   3 +-
 .../components/test_exponential.py            |  16 ++
 .../components/test_model_component.py        |   5 +
 .../sample_model/test_component_collection.py |   9 +
 .../sample_model/test_model_base.py           |   5 +
 17 files changed, 1026 insertions(+), 1 deletion(-)
 create mode 100644 docs/docs/tutorials/analysis1dnc5wfazv_nbqa_ipynb.py
 create mode 100644 docs/docs/tutorials/analysis5dsibvoj_nbqa_ipynb.py
 create mode 100644 docs/docs/tutorials/component_collectionnkus_vfh_nbqa_ipynb.py
 create mode 100644 docs/docs/tutorials/componentsxo0xyr8r_nbqa_ipynb.py
 create mode 100644 docs/docs/tutorials/convolution98p78z7o_nbqa_ipynb.py
 create mode 100644 docs/docs/tutorials/detailed_balancetqju34kv_nbqa_ipynb.py
 create mode 100644 docs/docs/tutorials/diffusion_model58y3qb6__nbqa_ipynb.py
 create mode 100644 docs/docs/tutorials/experimentbgw31e06_nbqa_ipynb.py
 create mode 100644 docs/docs/tutorials/indexqpz_wmw5_nbqa_ipynb.py
 create mode 100644 docs/docs/tutorials/instrument_modelw4cdd861_nbqa_ipynb.py
 create mode 100644 docs/docs/tutorials/sample_modelzmrku316_nbqa_ipynb.py
 create mode 100644 docs/docs/tutorials/tutorial1_browniant5se346o_nbqa_ipynb.py

diff --git a/docs/docs/tutorials/analysis1dnc5wfazv_nbqa_ipynb.py b/docs/docs/tutorials/analysis1dnc5wfazv_nbqa_ipynb.py
new file mode 100644
index 000000000..93a5d380b
--- /dev/null
+++ b/docs/docs/tutorials/analysis1dnc5wfazv_nbqa_ipynb.py
@@ -0,0 +1,54 @@
+# %%NBQA-CELL-SEP5932b7
+import pooch
+
+from easydynamics.analysis.analysis1d import Analysis1d
+from easydynamics.experiment import Experiment
+from easydynamics.sample_model import DeltaFunction
+from easydynamics.sample_model import Gaussian
+from easydynamics.sample_model import Polynomial
+from easydynamics.sample_model.background_model import BackgroundModel
+from easydynamics.sample_model.instrument_model import InstrumentModel
+from easydynamics.sample_model.resolution_model import ResolutionModel
+from easydynamics.sample_model.sample_model import SampleModel
+
+hash(0xF69AF408)
+
+# %%NBQA-CELL-SEP5932b7
+vanadium_experiment = Experiment('Vanadium')
+
+file_path = pooch.retrieve(
+    url='https://github.com/easyscience/dynamics-lib/raw/refs/heads/master/docs/docs/tutorials/data/vanadium_data_example.h5',
+    known_hash='16cc1b327c303feeb88fb9dda5390dc4880b62396b1793f98c6fef0b27c7b873',
+)
+
+vanadium_experiment.load_hdf5(filename=file_path)
+
+# %%NBQA-CELL-SEP5932b7
+# Example of Analysis1d with a simple sample model and instrument model
+delta_function = DeltaFunction(display_name='DeltaFunction', area=1)
+sample_model = SampleModel(
+    components=delta_function,
+)
+
+res_gauss = Gaussian(width=0.1)
+resolution_model = ResolutionModel(components=res_gauss)
+
+
+background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
+
+instrument_model = InstrumentModel(
+    resolution_model=resolution_model,
+    background_model=background_model,
+)
+
+my_analysis = Analysis1d(
+    display_name='Vanadium Analysis',
+    experiment=vanadium_experiment,
+    sample_model=sample_model,
+    instrument_model=instrument_model,
+    Q_index=5,
+)
+
+fit_result = my_analysis.fit()
+fig = my_analysis.plot_data_and_model()
+fig
diff --git a/docs/docs/tutorials/analysis5dsibvoj_nbqa_ipynb.py b/docs/docs/tutorials/analysis5dsibvoj_nbqa_ipynb.py
new file mode 100644
index 000000000..5a84a3762
--- /dev/null
+++ b/docs/docs/tutorials/analysis5dsibvoj_nbqa_ipynb.py
@@ -0,0 +1,208 @@
+# %%NBQA-CELL-SEP5932b7
+# Imports
+import pooch
+
+from easydynamics.analysis.analysis import Analysis
+from easydynamics.experiment import Experiment
+from easydynamics.sample_model import BrownianTranslationalDiffusion
+from easydynamics.sample_model import ComponentCollection
+from easydynamics.sample_model import DeltaFunction
+from easydynamics.sample_model import Gaussian
+from easydynamics.sample_model import Lorentzian
+from easydynamics.sample_model import Polynomial
+from easydynamics.sample_model.background_model import BackgroundModel
+from easydynamics.sample_model.instrument_model import InstrumentModel
+from easydynamics.sample_model.resolution_model import ResolutionModel
+from easydynamics.sample_model.sample_model import SampleModel
+
+hash(0x5D2FE732)
+
+# %%NBQA-CELL-SEP5932b7
+# Load the vanadium data
+vanadium_experiment = Experiment('Vanadium')
+file_path = pooch.retrieve(
+    url='https://github.com/easyscience/dynamics-lib/raw/refs/heads/master/docs/docs/tutorials/data/vanadium_data_example.h5',
+    known_hash='16cc1b327c303feeb88fb9dda5390dc4880b62396b1793f98c6fef0b27c7b873',
+)
+
+vanadium_experiment.load_hdf5(filename=file_path)
+
+# %%NBQA-CELL-SEP5932b7
+# Example of Analysis with a simple sample model and instrument model
+# The scattering from vanadium is purely elastic, so we model it with a
+# delta function
+delta_function = DeltaFunction(display_name='DeltaFunction', area=1)
+sample_model = SampleModel(
+    components=delta_function,
+)
+
+# The resolution is in this case modeled as a Gaussian. However, we can
+# add as many components as we like to the resolution model
+res_gauss = Gaussian(width=0.1)
+res_gauss.area.fixed = True
+resolution_components = ComponentCollection()
+resolution_components.append_component(res_gauss)
+resolution_model = ResolutionModel(components=resolution_components)
+
+# The background model is created in the same way. In this case, we use
+# a flat background
+background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
+
+# We combine the resolution abd background model into an instrument
+# model. This model also contains a small energy offset to account for
+# instrument misalignment.
+
+instrument_model = InstrumentModel(
+    resolution_model=resolution_model,
+    background_model=background_model,
+)
+
+# Collect everything into an analysis object.
+vanadium_analysis = Analysis(
+    display_name='Vanadium Full Analysis',
+    experiment=vanadium_experiment,
+    sample_model=sample_model,
+    instrument_model=instrument_model,
+)
+
+# Let us first fit a single Q index and plot the data and model to see
+# how it looks
+fit_result_independent_single_Q = vanadium_analysis.fit(fit_method='independent', Q_index=5)
+vanadium_analysis.plot_data_and_model(Q_index=5)
+
+# %%NBQA-CELL-SEP5932b7
+# It looks good, so let us fit all Q indices independently and plot the
+# results
+fit_result_independent_all_Q = vanadium_analysis.fit(fit_method='independent')
+vanadium_analysis.plot_data_and_model()
+
+# %%NBQA-CELL-SEP5932b7
+# Inspect the Parameters as a scipp Dataset
+vanadium_analysis.parameters_to_dataset()
+
+# %%NBQA-CELL-SEP5932b7
+# Plot some of fitted parameters as a function of Q
+vanadium_analysis.plot_parameters(names=['DeltaFunction area'])
+
+# %%NBQA-CELL-SEP5932b7
+vanadium_analysis.plot_parameters(names=['Gaussian width'])
+
+# %%NBQA-CELL-SEP5932b7
+vanadium_analysis.plot_parameters(names=['energy_offset'])
+
+# %%NBQA-CELL-SEP5932b7
+# Now it's time to look at the data we want to fit. We first load the
+# data
+diffusion_experiment = Experiment('Diffusion')
+
+file_path = pooch.retrieve(
+    url='https://github.com/easyscience/dynamics-lib/raw/refs/heads/master/docs/docs/tutorials/data/diffusion_data_example.h5',
+    known_hash='5fe846b19aacbda8b8b936eb2e5310d025dc56c25b0b353521e7d6b921f229ab',
+)
+
+diffusion_experiment.load_hdf5(filename=file_path)
+
+# %%NBQA-CELL-SEP5932b7
+# Now we set up the model, similarly to how we set up the model for the
+# vanadium data.
+
+delta_function = DeltaFunction(display_name='DeltaFunction', area=0.2)
+lorentzian = Lorentzian(display_name='Lorentzian', area=0.5, width=0.3)
+component_collection = ComponentCollection(
+    components=[delta_function, lorentzian],
+)
+
+sample_model = SampleModel(
+    components=component_collection,
+)
+
+background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
+
+instrument_model = InstrumentModel(
+    background_model=background_model,
+)
+
+diffusion_analysis = Analysis(
+    display_name='Diffusion Full Analysis',
+    experiment=diffusion_experiment,
+    sample_model=sample_model,
+    instrument_model=instrument_model,
+)
+
+# We need to hack in the resolution model from the vanadium analysis,
+# since the setters and getters overwrite the model. This will be fixed
+# asap.
+diffusion_analysis.instrument_model._resolution_model = (
+    vanadium_analysis.instrument_model.resolution_model
+)
+
+# We fix all parameters of the resolution model.
+diffusion_analysis.instrument_model.resolution_model.fix_all_parameters()
+
+# %%NBQA-CELL-SEP5932b7
+# Let us see how good the starting parameters are
+diffusion_analysis.plot_data_and_model()
+
+# %%NBQA-CELL-SEP5932b7
+# Now we fit the data and plot the result. Looks good!
+diffusion_analysis.fit(fit_method='independent')
+diffusion_analysis.plot_data_and_model()
+
+# %%NBQA-CELL-SEP5932b7
+# Let us look at the most interesting fit parameters
+diffusion_analysis.plot_parameters(names=['Lorentzian width', 'Lorentzian area'])
+
+# %%NBQA-CELL-SEP5932b7
+# It will be possible to fit this to a DiffusionModel, but that will
+# come later.
+
+# %%NBQA-CELL-SEP5932b7
+# Let us now fit directly to a diffusion model. We replace the
+# Lorentzian with a Brownian translational diffusion model and keep the
+# other parameters the same.
+delta_function = DeltaFunction(display_name='DeltaFunction', area=0.2)
+component_collection = ComponentCollection(
+    components=[delta_function],
+)
+diffusion_model = BrownianTranslationalDiffusion(
+    display_name='Brownian Translational Diffusion', diffusion_coefficient=2.4e-9, scale=0.5
+)
+
+sample_model = SampleModel(
+    components=component_collection,
+    diffusion_models=diffusion_model,
+)
+
+background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
+
+instrument_model = InstrumentModel(
+    background_model=background_model,
+)
+
+diffusion_model_analysis = Analysis(
+    display_name='Diffusion Full Analysis',
+    experiment=diffusion_experiment,
+    sample_model=sample_model,
+    instrument_model=instrument_model,
+)
+
+# We again need to hack in the resolution model from the vanadium
+# analysis, since the setters and getters overwrite the model. This will
+# be fixed asap.
+diffusion_model_analysis.instrument_model._resolution_model = (
+    vanadium_analysis.instrument_model.resolution_model
+)
+diffusion_model_analysis.instrument_model.resolution_model.fix_all_parameters()
+
+# Let us see how good the starting parameters are
+diffusion_model_analysis.plot_data_and_model()
+
+# %%NBQA-CELL-SEP5932b7
+# We now fit all the data simultaneously to the diffusion model, then
+# plot the result. Looks good.
+diffusion_model_analysis.fit(fit_method='simultaneous')
+diffusion_model_analysis.plot_data_and_model()
+
+# %%NBQA-CELL-SEP5932b7
+# Let us look at the fitted diffusion coefficient
+diffusion_model.get_all_parameters()
diff --git a/docs/docs/tutorials/component_collectionnkus_vfh_nbqa_ipynb.py b/docs/docs/tutorials/component_collectionnkus_vfh_nbqa_ipynb.py
new file mode 100644
index 000000000..c84b8f440
--- /dev/null
+++ b/docs/docs/tutorials/component_collectionnkus_vfh_nbqa_ipynb.py
@@ -0,0 +1,39 @@
+# %%NBQA-CELL-SEP5932b7
+import matplotlib.pyplot as plt
+import numpy as np
+
+from easydynamics.sample_model import ComponentCollection
+from easydynamics.sample_model import DampedHarmonicOscillator
+from easydynamics.sample_model import Gaussian
+from easydynamics.sample_model import Lorentzian
+from easydynamics.sample_model import Polynomial
+
+hash(0x9AFE4A6B)
+
+# %%NBQA-CELL-SEP5932b7
+component_collection = ComponentCollection()
+
+# Creating components
+gaussian = Gaussian(display_name='Gaussian', width=0.5, area=1)
+dho = DampedHarmonicOscillator(display_name='DHO', center=1.0, width=0.3, area=2.0)
+lorentzian = Lorentzian(display_name='Lorentzian', center=-1.0, width=0.2, area=1.0)
+polynomial = Polynomial(display_name='Polynomial', coefficients=[0.1, 0, 0.5])  # y=0.1+0.5*x^2
+
+# Adding components to the component collection
+component_collection.append_component(gaussian)
+component_collection.append_component(dho)
+component_collection.append_component(lorentzian)
+component_collection.append_component(polynomial)
+
+x = np.linspace(-2, 2, 100)
+
+plt.figure()
+y = component_collection.evaluate(x)
+plt.plot(x, y, label='Component collection')
+
+for component in component_collection.components:
+    y = component.evaluate(x)
+    plt.plot(x, y, label=component.display_name)
+
+plt.legend()
+plt.show()
diff --git a/docs/docs/tutorials/componentsxo0xyr8r_nbqa_ipynb.py b/docs/docs/tutorials/componentsxo0xyr8r_nbqa_ipynb.py
new file mode 100644
index 000000000..1b66e3f4a
--- /dev/null
+++ b/docs/docs/tutorials/componentsxo0xyr8r_nbqa_ipynb.py
@@ -0,0 +1,76 @@
+# %%NBQA-CELL-SEP5932b7
+import matplotlib.pyplot as plt
+import numpy as np
+import scipp as sc
+
+from easydynamics.sample_model import DampedHarmonicOscillator
+from easydynamics.sample_model import DeltaFunction
+from easydynamics.sample_model import Exponential
+from easydynamics.sample_model import Gaussian
+from easydynamics.sample_model import Lorentzian
+from easydynamics.sample_model import Polynomial
+
+hash(0xE0A2D949)
+
+# %%NBQA-CELL-SEP5932b7
+# Creating a component
+gaussian = Gaussian(display_name='Gaussian', width=0.5, area=1)
+dho = DampedHarmonicOscillator(display_name='DHO', center=1.0, width=0.3, area=2.0)
+lorentzian = Lorentzian(display_name='Lorentzian', center=-1.0, width=0.2, area=1.0)
+polynomial = Polynomial(display_name='Polynomial', coefficients=[0.1, 0, 0.5])  # y=0.1+0.5*x^2
+exponential = Exponential(display_name='Exponential', amplitude=1.0, rate=-0.5)
+
+x = np.linspace(-2, 2, 100)
+
+plt.figure()
+y = gaussian.evaluate(x)
+plt.plot(x, y, label='Gaussian')
+y = dho.evaluate(x)
+plt.plot(x, y, label='DHO')
+y = lorentzian.evaluate(x)
+plt.plot(x, y, label='Lorentzian')
+y = polynomial.evaluate(x)
+plt.plot(x, y, label='Polynomial')
+y = exponential.evaluate(x)
+plt.plot(x, y, label='Exponential')
+plt.legend()
+plt.show()
+
+# %%NBQA-CELL-SEP5932b7
+# The area under the DHO curve is indeed equal to the area parameter.
+xx = np.linspace(-15, 15, 10000)
+yy = dho.evaluate(xx)
+area = np.trapezoid(yy, xx)
+print(f'Area under DHO curve: {area:.4f}')
+
+# %%NBQA-CELL-SEP5932b7
+delta = DeltaFunction(display_name='Delta', center=0.0, area=1.0)
+x1 = np.linspace(-2, 2, 100)
+y = delta.evaluate(x1)
+x2 = np.linspace(-2, 2, 51)
+y2 = delta.evaluate(x2)
+plt.figure()
+plt.plot(x1, y, label='Delta Function')
+plt.plot(x2, y2, label='Delta Function (coarser)')
+plt.legend()
+plt.show()
+# The area under the Delta function is indeed equal to
+# the area parameter.
+xx = np.linspace(-2, 2, 10000)
+yy = delta.evaluate(xx)
+area = np.trapezoid(y, x1)
+print(area)
+
+# %%NBQA-CELL-SEP5932b7
+x1 = sc.linspace(dim='x', start=-2.0, stop=2.0, num=100, unit='meV')
+x2 = sc.linspace(dim='x', start=-2.0 * 1e3, stop=2.0 * 1e3, num=101, unit='microeV')
+
+polynomial = Polynomial(display_name='Polynomial', coefficients=[0.1, 0, 0.5])  # y=0.1+0.5*x^2
+y1 = polynomial.evaluate(x1)
+y2 = polynomial.evaluate(x2)
+
+plt.figure()
+plt.plot(x1.values, y1, label='Polynomial meV', color='blue')
+plt.plot(x2.values / 1000, y2, label='Polynomial microeV', linestyle='dashed', color='orange')
+plt.legend()
+plt.show()
diff --git a/docs/docs/tutorials/convolution98p78z7o_nbqa_ipynb.py b/docs/docs/tutorials/convolution98p78z7o_nbqa_ipynb.py
new file mode 100644
index 000000000..3a6950fdd
--- /dev/null
+++ b/docs/docs/tutorials/convolution98p78z7o_nbqa_ipynb.py
@@ -0,0 +1,167 @@
+# %%NBQA-CELL-SEP5932b7
+import matplotlib.pyplot as plt
+import numpy as np
+
+from easydynamics.convolution import Convolution
+from easydynamics.sample_model import DampedHarmonicOscillator
+from easydynamics.sample_model import DeltaFunction
+from easydynamics.sample_model import Gaussian
+from easydynamics.sample_model import Lorentzian
+from easydynamics.sample_model.component_collection import ComponentCollection
+from easydynamics.utils import _detailed_balance_factor as detailed_balance_factor
+
+hash(0xCC7EF502)
+
+# %%NBQA-CELL-SEP5932b7
+# Standard example of convolution of a sample model with a
+# resolution model
+sample_components = ComponentCollection()
+gaussian = Gaussian(display_name='Gaussian', width=0.5, area=1)
+dho = DampedHarmonicOscillator(display_name='DHO', center=1.0, width=0.3, area=2.0)
+lorentzian = Lorentzian(display_name='Lorentzian', center=-1.0, width=0.2, area=1.0)
+delta = DeltaFunction(display_name='Delta', center=0.4, area=0.5)
+sample_components.append_component(gaussian)
+# sample_components.append_component(dho)
+sample_components.append_component(lorentzian)
+sample_components.append_component(delta)
+
+resolution_components = ComponentCollection()
+resolution_gaussian = Gaussian(display_name='Resolution Gaussian', width=0.015, area=0.8)
+resolution_lorentzian = Lorentzian(display_name='Resolution Lorentzian', width=0.025, area=0.2)
+resolution_components.append_component(resolution_gaussian)
+resolution_components.append_component(resolution_lorentzian)
+
+energy = np.linspace(-2, 2, 100)
+
+convolver = Convolution(
+    sample_components=sample_components, resolution_components=resolution_components, energy=energy
+)
+y = convolver.convolution()
+plt.figure()
+plt.plot(energy, y, label='Convoluted Model')
+plt.xlabel('Energy (meV)')
+plt.ylabel('Intensity (arb. units)')
+plt.title('Convolution of Sample Model with Resolution Model')
+
+plt.plot(energy, sample_components.evaluate(energy), label='Sample Model', linestyle='--')
+plt.plot(energy, resolution_components.evaluate(energy), label='Resolution Model', linestyle=':')
+
+plt.legend()
+# set the limit on the y axis
+plt.ylim(0, 6)
+plt.show()
+
+# %%NBQA-CELL-SEP5932b7
+# Use some of the extra settings for the numerical convolution
+sample_components = ComponentCollection()
+gaussian = Gaussian(display_name='Gaussian', width=0.3, area=1)
+dho = DampedHarmonicOscillator(display_name='DHO', center=1.0, width=0.3, area=2.0)
+lorentzian = Lorentzian(display_name='Lorentzian', center=-1.0, width=0.2, area=1.0)
+delta = DeltaFunction(display_name='Delta', center=0.4, area=0.5)
+sample_components.append_component(gaussian)
+sample_components.append_component(dho)
+sample_components.append_component(lorentzian)
+sample_components.append_component(delta)
+
+resolution_components = ComponentCollection()
+resolution_gaussian = Gaussian(display_name='Resolution Gaussian', width=0.15, area=0.8)
+resolution_lorentzian = Lorentzian(display_name='Resolution Lorentzian', width=0.25, area=0.2)
+resolution_components.append_component(resolution_gaussian)
+resolution_components.append_component(resolution_lorentzian)
+
+energy = np.linspace(-2, 2, 100)
+
+
+temperature = 10.0  # Temperature in Kelvin
+energy_offset = 0.5
+upsample_factor = 5
+extension_factor = 0.5
+plt.figure()
+plt.xlabel('Energy (meV)')
+plt.ylabel('Intensity (arb. units)')
+
+convolver = Convolution(
+    sample_components=sample_components,
+    resolution_components=resolution_components,
+    energy=energy - energy_offset,
+    upsample_factor=upsample_factor,
+    extension_factor=extension_factor,
+    temperature=temperature,
+    normalize_detailed_balance=True,
+)
+y = convolver.convolution()
+
+
+plt.plot(energy, y, label='Convoluted Model')
+
+plt.plot(
+    energy,
+    sample_components.evaluate(energy - energy_offset)
+    * detailed_balance_factor(energy - energy_offset, temperature),
+    label='Sample Model with DB',
+    linestyle='--',
+)
+
+plt.plot(energy, resolution_components.evaluate(energy), label='Resolution Model', linestyle=':')
+plt.title('Convolution of Sample Model with Resolution Model with detailed balancing')
+
+plt.legend()
+plt.ylim(0, 2.5)
+plt.show()
+
+# %%NBQA-CELL-SEP5932b7
+# Use some of the extra settings for the numerical convolution
+sample_components = ComponentCollection()
+gaussian = Gaussian(display_name='Gaussian', width=0.3, area=1)
+dho = DampedHarmonicOscillator(display_name='DHO', center=1.0, width=0.3, area=2.0)
+lorentzian = Lorentzian(display_name='Lorentzian', center=-1.0, width=0.2, area=1.0)
+delta = DeltaFunction(display_name='Delta', center=0.4, area=0.5)
+sample_components.append_component(gaussian)
+# sample_components.append_component(dho)
+sample_components.append_component(lorentzian)
+# sample_components.append_component(delta)
+
+resolution_components = ComponentCollection()
+resolution_gaussian = Gaussian(display_name='Resolution Gaussian', width=0.15, area=0.8)
+resolution_lorentzian = Lorentzian(display_name='Resolution Lorentzian', width=0.25, area=0.2)
+resolution_components.append_component(resolution_gaussian)
+# resolution_components.append_component(resolution_lorentzian)
+
+energy = np.linspace(-2, 2, 100)
+
+
+temperature = 10.0  # Temperature in Kelvin
+energy_offset = 0.2
+upsample_factor = 5
+extension_factor = 0.5
+plt.figure()
+plt.xlabel('Energy (meV)')
+plt.ylabel('Intensity (arb. units)')
+
+convolver = Convolution(
+    sample_components=sample_components,
+    resolution_components=resolution_components,
+    energy=energy,
+    upsample_factor=upsample_factor,
+    extension_factor=extension_factor,
+    energy_offset=energy_offset,
+    temperature=temperature,
+)
+y = convolver.convolution()
+
+
+plt.plot(energy, y, label='Convoluted Model')
+
+plt.plot(
+    energy,
+    sample_components.evaluate(energy - energy_offset),
+    label='Sample Model',
+    linestyle='--',
+)
+
+plt.plot(energy, resolution_components.evaluate(energy), label='Resolution Model', linestyle=':')
+plt.title('Convolution of Sample Model with Resolution Model')
+
+plt.legend()
+plt.ylim(0, 2.5)
+plt.show()
diff --git a/docs/docs/tutorials/detailed_balancetqju34kv_nbqa_ipynb.py b/docs/docs/tutorials/detailed_balancetqju34kv_nbqa_ipynb.py
new file mode 100644
index 000000000..58cbc2fc9
--- /dev/null
+++ b/docs/docs/tutorials/detailed_balancetqju34kv_nbqa_ipynb.py
@@ -0,0 +1,46 @@
+# %%NBQA-CELL-SEP5932b7
+import matplotlib.pyplot as plt
+import numpy as np
+
+from easydynamics.utils import _detailed_balance_factor as detailed_balance_factor
+
+hash(0x36C9BD93)
+
+# %%NBQA-CELL-SEP5932b7
+temperatures = [1, 10, 100]
+temperature_unit = 'K'
+energy = np.linspace(-1, 1, 100)
+# energy=1.0
+energy_unit = 'meV'
+
+plt.figure()
+for temperature in temperatures:
+    DBF = detailed_balance_factor(energy, temperature, energy_unit, temperature_unit)
+    plt.plot(energy, DBF, label=f'T={temperature} K')
+plt.legend()
+plt.xlabel('Energy transfer (meV)')
+plt.ylabel('Detailed balance factor')
+plt.title(
+    'Detailed balance factor for different temperatures, \n '
+    'normalized to 1 at zero energy transfer'
+)
+plt.show()
+
+# %%NBQA-CELL-SEP5932b7
+temperatures = [1, 10, 100]
+temperature_unit = 'K'
+energy = np.linspace(-1, 1, 100)
+# energy=1.0
+energy_unit = 'meV'
+
+plt.figure()
+for temperature in temperatures:
+    DBF = detailed_balance_factor(
+        energy, temperature, energy_unit, temperature_unit, divide_by_temperature=False
+    )
+    plt.plot(energy, DBF, label=f'T={temperature} K')
+plt.legend()
+plt.xlabel('Energy transfer (meV)')
+plt.ylabel('Detailed balance factor')
+plt.title('Detailed balance factor for different temperatures, not normalized')
+plt.show()
diff --git a/docs/docs/tutorials/diffusion_model58y3qb6__nbqa_ipynb.py b/docs/docs/tutorials/diffusion_model58y3qb6__nbqa_ipynb.py
new file mode 100644
index 000000000..3236521c6
--- /dev/null
+++ b/docs/docs/tutorials/diffusion_model58y3qb6__nbqa_ipynb.py
@@ -0,0 +1,53 @@
+# %%NBQA-CELL-SEP5932b7
+import matplotlib.pyplot as plt
+import numpy as np
+
+from easydynamics.sample_model import BrownianTranslationalDiffusion
+
+hash(0x4D38875)
+
+# %%NBQA-CELL-SEP5932b7
+# Create Brownian Translational Diffusion model
+# and plot the model for different Q values.
+# Q is in Angstrom^-1 and energy in meV.
+
+Q = np.linspace(0.5, 2, 7)
+energy = np.linspace(-2, 2, 501)
+scale = 1.0
+diffusion_coefficient = 2.4e-9  # m^2/s
+
+diffusion_model = BrownianTranslationalDiffusion(
+    display_name='DiffusionModel',
+    scale=scale,
+    diffusion_coefficient=diffusion_coefficient,
+)
+
+component_collections = diffusion_model.create_component_collections(Q)
+
+
+cmap = plt.cm.jet
+nQ = len(component_collections)
+plt.figure()
+for Q_index in range(len(component_collections)):
+    color = cmap(Q_index / (nQ - 1))
+    y = component_collections[Q_index].evaluate(energy)
+    plt.plot(energy, y, label=f'Q={Q[Q_index]} Å^-1', color=color)
+
+plt.legend()
+plt.show()
+plt.xlabel('Energy (meV)')
+plt.ylabel('Intensity (arb. units)')
+plt.title('Brownian Translational Diffusion Model')
+
+# %%NBQA-CELL-SEP5932b7
+# Calculate and plot the half width at half maximum (HWHM) as function
+# of Q
+Q = np.linspace(0.1, 2, 101)
+HWHM = diffusion_model.calculate_width(Q)
+plt.figure()
+plt.plot(Q, HWHM)
+plt.xlabel('Q (Å$^{-1}$)')
+plt.ylabel('HWHM (meV)')
+plt.xlim(0, 2.5)
+plt.ylim(0, max(HWHM) * 1.1)
+plt.title('HWHM vs Q for Brownian Translational Diffusion')
diff --git a/docs/docs/tutorials/experimentbgw31e06_nbqa_ipynb.py b/docs/docs/tutorials/experimentbgw31e06_nbqa_ipynb.py
new file mode 100644
index 000000000..d4d7f3416
--- /dev/null
+++ b/docs/docs/tutorials/experimentbgw31e06_nbqa_ipynb.py
@@ -0,0 +1,29 @@
+# %%NBQA-CELL-SEP5932b7
+import pooch
+
+from easydynamics.experiment import Experiment
+
+hash(0x3AE3B342)
+
+# %%NBQA-CELL-SEP5932b7
+# Load and plot example vanadium data
+# Load the vanadium data
+vanadium_experiment = Experiment('Vanadium')
+
+file_path = pooch.retrieve(
+    url='https://github.com/easyscience/dynamics-lib/raw/refs/heads/master/docs/docs/tutorials/data/vanadium_data_example.h5',
+    known_hash='16cc1b327c303feeb88fb9dda5390dc4880b62396b1793f98c6fef0b27c7b873',
+)
+
+vanadium_experiment.load_hdf5(filename=file_path)
+
+vanadium_experiment.plot_data()
+
+# %%NBQA-CELL-SEP5932b7
+# Rebin the data and plot again
+vanadium_experiment.rebin({'Q': 5, 'energy': 50})
+vanadium_experiment.plot_data()
+
+# %%NBQA-CELL-SEP5932b7
+# Plot using the plopp slicer with extra arguments
+vanadium_experiment.plot_data(slicer=True, keep='energy', vmin=0, vmax=2.0)
diff --git a/docs/docs/tutorials/indexqpz_wmw5_nbqa_ipynb.py b/docs/docs/tutorials/indexqpz_wmw5_nbqa_ipynb.py
new file mode 100644
index 000000000..e69de29bb
diff --git a/docs/docs/tutorials/instrument_modelw4cdd861_nbqa_ipynb.py b/docs/docs/tutorials/instrument_modelw4cdd861_nbqa_ipynb.py
new file mode 100644
index 000000000..9b614b9e0
--- /dev/null
+++ b/docs/docs/tutorials/instrument_modelw4cdd861_nbqa_ipynb.py
@@ -0,0 +1,35 @@
+# %%NBQA-CELL-SEP5932b7
+import numpy as np
+
+from easydynamics.sample_model import Gaussian
+from easydynamics.sample_model import Polynomial
+from easydynamics.sample_model.background_model import BackgroundModel
+from easydynamics.sample_model.instrument_model import InstrumentModel
+from easydynamics.sample_model.resolution_model import ResolutionModel
+
+hash(0x51DBF3)
+
+# %%NBQA-CELL-SEP5932b7
+# Create a BackgroundModel and a ResolutionModel and add them to an
+# InstrumentModel
+
+Q = np.linspace(0.1, 2.0, 5)
+
+background_model = BackgroundModel()
+background_model.components = Polynomial(coefficients=[1, 0.1, 0.01])
+
+resolution_model = ResolutionModel()
+resolution_model.append_component(Gaussian(width=0.05))
+
+instrument_model = InstrumentModel(
+    Q=Q,
+    resolution_model=resolution_model,
+    background_model=background_model,
+)
+
+# %%NBQA-CELL-SEP5932b7
+instrument_model.get_all_variables(Q_index=1)
+
+# %%NBQA-CELL-SEP5932b7
+instrument_model.fix_resolution_parameters()
+instrument_model.get_all_variables(Q_index=1)
diff --git a/docs/docs/tutorials/sample_modelzmrku316_nbqa_ipynb.py b/docs/docs/tutorials/sample_modelzmrku316_nbqa_ipynb.py
new file mode 100644
index 000000000..ea977d759
--- /dev/null
+++ b/docs/docs/tutorials/sample_modelzmrku316_nbqa_ipynb.py
@@ -0,0 +1,89 @@
+# %%NBQA-CELL-SEP5932b7
+import matplotlib.pyplot as plt
+import numpy as np
+
+from easydynamics.sample_model import BrownianTranslationalDiffusion
+from easydynamics.sample_model import ComponentCollection
+from easydynamics.sample_model import DampedHarmonicOscillator
+from easydynamics.sample_model import Gaussian
+from easydynamics.sample_model import Polynomial
+from easydynamics.sample_model.background_model import BackgroundModel
+from easydynamics.sample_model.resolution_model import ResolutionModel
+from easydynamics.sample_model.sample_model import SampleModel
+
+hash(0xFF4B0398)
+
+# %%NBQA-CELL-SEP5932b7
+# Create a diffusion_model and components for the SampleModel
+Q = np.linspace(0.5, 2, 7)
+energy = np.linspace(-2, 2, 501)
+
+scale = 1.0
+diffusion_coefficient = 2.4e-9  # m^2/s
+diffusion_model = BrownianTranslationalDiffusion(
+    display_name='DiffusionModel',
+    scale=scale,
+    diffusion_coefficient=diffusion_coefficient,
+)
+
+
+# Creating components
+component_collection = ComponentCollection()
+gaussian = Gaussian(display_name='Gaussian', width=0.2, area=1, center=1.5)
+dho = DampedHarmonicOscillator(display_name='DHO', center=1.0, width=0.3, area=2.0)
+
+# Adding components to the component collection
+component_collection.append_component(gaussian)
+component_collection.append_component(dho)
+
+sample_model = SampleModel(
+    diffusion_models=diffusion_model,
+    components=component_collection,
+    Q=Q,
+    unit='meV',
+    display_name='MySampleModel',
+    temperature=10,
+)
+
+# Calculate the model intensity at the specified Q and energy values
+# y_list will be a list of intensity arrays, one for each Q value
+sample_intensity = sample_model.evaluate(energy)
+
+plt.figure()
+for i, Q_value in enumerate(Q):
+    plt.plot(energy, sample_intensity[i], label=f'Q={Q_value:.2f} Å⁻¹')
+plt.xlabel('Energy (meV)')
+plt.ylabel('Intensity (a.u.)')
+plt.title('Sample Model Evaluation at 10 K')
+plt.legend()
+plt.show()
+
+# %%NBQA-CELL-SEP5932b7
+# Create a BackgroundModel and show other ways to set Q and components
+
+background_model = BackgroundModel()
+background_model.Q = Q
+
+background_model.components = Polynomial(coefficients=[1, 0.1, 0.01])
+background = background_model.evaluate(energy)
+
+# Also create a ResolutionModel.
+# It doesn't do anything here, but shows how to set it up.
+resolution_model = ResolutionModel()
+resolution_model.Q = Q
+resolution_model.append_component(Gaussian(width=0.05))
+resolution = resolution_model.evaluate(energy)
+
+# %%NBQA-CELL-SEP5932b7
+# Plot the three models together
+for i, Q_value in enumerate(Q):
+    plt.figure()
+    plt.plot(energy, sample_intensity[i], label='Sample model')
+    plt.plot(energy, background[i], label='Background model')
+    plt.plot(energy, resolution[i], label='Resolution model')
+    plt.legend()
+    plt.xlabel('Energy (meV)')
+    plt.ylabel('Intensity (a.u.)')
+    plt.title(f'Sample Model Evaluation at 10 K and Q ={Q_value:.2f} Å⁻¹')
+    plt.legend()
+    plt.show()
diff --git a/docs/docs/tutorials/tutorial1_browniant5se346o_nbqa_ipynb.py b/docs/docs/tutorials/tutorial1_browniant5se346o_nbqa_ipynb.py
new file mode 100644
index 000000000..c9ff23f92
--- /dev/null
+++ b/docs/docs/tutorials/tutorial1_browniant5se346o_nbqa_ipynb.py
@@ -0,0 +1,193 @@
+# %%NBQA-CELL-SEP5932b7
+# Imports
+import pooch
+
+from easydynamics.analysis.analysis import Analysis
+from easydynamics.experiment import Experiment
+from easydynamics.sample_model import BrownianTranslationalDiffusion
+from easydynamics.sample_model import ComponentCollection
+from easydynamics.sample_model import DeltaFunction
+from easydynamics.sample_model import Gaussian
+from easydynamics.sample_model import Lorentzian
+from easydynamics.sample_model import Polynomial
+from easydynamics.sample_model.background_model import BackgroundModel
+from easydynamics.sample_model.instrument_model import InstrumentModel
+from easydynamics.sample_model.resolution_model import ResolutionModel
+from easydynamics.sample_model.sample_model import SampleModel
+
+# Make the plots interactive
+hash(0x69D94788)
+
+# %%NBQA-CELL-SEP5932b7
+# Load the vanadium data
+vanadium_experiment = Experiment('Vanadium')
+
+file_path = pooch.retrieve(
+    url='https://github.com/easyscience/dynamics-lib/raw/refs/heads/master/docs/docs/tutorials/data/vanadium_data_example.h5',
+    known_hash='16cc1b327c303feeb88fb9dda5390dc4880b62396b1793f98c6fef0b27c7b873',
+)
+
+
+vanadium_experiment.load_hdf5(filename=file_path)
+
+# %%NBQA-CELL-SEP5932b7
+vanadium_experiment.plot_data(slicer=False)
+
+# %%NBQA-CELL-SEP5932b7
+vanadium_experiment.plot_data(slicer=True)
+
+# %%NBQA-CELL-SEP5932b7
+delta_function = DeltaFunction(display_name='DeltaFunction', area=1)
+sample_model = SampleModel(components=delta_function)
+
+# %%NBQA-CELL-SEP5932b7
+resolution_components = ComponentCollection()
+res_gauss = Gaussian(width=0.1, area=1, display_name='Res. Gauss')
+res_gauss.area.fixed = True
+resolution_components.append_component(res_gauss)
+resolution_model = ResolutionModel(components=resolution_components)
+
+# %%NBQA-CELL-SEP5932b7
+background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
+
+# %%NBQA-CELL-SEP5932b7
+instrument_model = InstrumentModel(
+    resolution_model=resolution_model,
+    background_model=background_model,
+)
+
+# %%NBQA-CELL-SEP5932b7
+vanadium_analysis = Analysis(
+    display_name='Vanadium Full Analysis',
+    experiment=vanadium_experiment,
+    sample_model=sample_model,
+    instrument_model=instrument_model,
+)
+
+# %%NBQA-CELL-SEP5932b7
+fit_result_independent_single_Q = vanadium_analysis.fit(fit_method='independent', Q_index=5)
+vanadium_analysis.plot_data_and_model(Q_index=5)
+
+# %%NBQA-CELL-SEP5932b7
+fit_result_independent_all_Q = vanadium_analysis.fit(fit_method='independent')
+vanadium_analysis.plot_data_and_model()
+
+# %%NBQA-CELL-SEP5932b7
+# Inspect the Parameters as a scipp Dataset
+vanadium_analysis.parameters_to_dataset()
+
+# %%NBQA-CELL-SEP5932b7
+# Plot some of fitted parameters as a function of Q
+vanadium_analysis.plot_parameters(names=['DeltaFunction area'])
+
+# %%NBQA-CELL-SEP5932b7
+vanadium_analysis.plot_parameters(names=['Res. Gauss width'])
+
+# %%NBQA-CELL-SEP5932b7
+vanadium_analysis.plot_parameters(names=['energy_offset'])
+
+# %%NBQA-CELL-SEP5932b7
+diffusion_experiment = Experiment('Diffusion')
+
+file_path = pooch.retrieve(
+    url='https://github.com/easyscience/dynamics-lib/raw/refs/heads/master/docs/docs/tutorials/data/diffusion_data_example.h5',
+    known_hash='5fe846b19aacbda8b8b936eb2e5310d025dc56c25b0b353521e7d6b921f229ab',
+)
+
+diffusion_experiment.load_hdf5(filename=file_path)
+
+# %%NBQA-CELL-SEP5932b7
+diffusion_experiment.plot_data(slicer=True)
+
+# %%NBQA-CELL-SEP5932b7
+delta_function = DeltaFunction(display_name='DeltaFunction', area=0.2)
+lorentzian = Lorentzian(display_name='Lorentzian', area=0.5, width=0.3)
+component_collection = ComponentCollection(
+    components=[delta_function, lorentzian],
+)
+
+sample_model = SampleModel(
+    components=component_collection,
+)
+
+background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
+
+# %%NBQA-CELL-SEP5932b7
+instrument_model = InstrumentModel(
+    background_model=background_model,
+)
+
+diffusion_analysis = Analysis(
+    display_name='Diffusion Analysis',
+    experiment=diffusion_experiment,
+    sample_model=sample_model,
+    instrument_model=instrument_model,
+)
+
+# We need to hack in the resolution model from the vanadium analysis,
+# since the setters and getters overwrite the model. This will be fixed
+# asap.
+diffusion_analysis.instrument_model._resolution_model = (
+    vanadium_analysis.instrument_model.resolution_model
+)
+
+# %%NBQA-CELL-SEP5932b7
+# We fix all parameters of the resolution model.
+diffusion_analysis.instrument_model.resolution_model.fix_all_parameters()
+
+# %%NBQA-CELL-SEP5932b7
+diffusion_analysis.plot_data_and_model()
+
+# %%NBQA-CELL-SEP5932b7
+diffusion_analysis.fit(fit_method='independent')
+diffusion_analysis.plot_data_and_model()
+
+# %%NBQA-CELL-SEP5932b7
+# Let us look at the most interesting fit parameters
+diffusion_analysis.plot_parameters(names=['Lorentzian width', 'Lorentzian area'])
+
+# %%NBQA-CELL-SEP5932b7
+delta_function = DeltaFunction(display_name='DeltaFunction', area=0.2)
+component_collection = ComponentCollection(
+    components=[delta_function],
+)
+diffusion_model = BrownianTranslationalDiffusion(
+    display_name='Brownian Translational Diffusion', diffusion_coefficient=2.4e-9, scale=0.5
+)
+
+sample_model = SampleModel(
+    components=component_collection,
+    diffusion_models=diffusion_model,
+)
+
+background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
+
+instrument_model = InstrumentModel(
+    background_model=background_model,
+)
+
+# %%NBQA-CELL-SEP5932b7
+diffusion_model_analysis = Analysis(
+    display_name='Diffusion Full Analysis',
+    experiment=diffusion_experiment,
+    sample_model=sample_model,
+    instrument_model=instrument_model,
+)
+
+# We again need to hack in the resolution model from the vanadium
+# analysis, since the setters and getters overwrite the model. This will
+# be fixed asap.
+diffusion_model_analysis.instrument_model._resolution_model = (
+    vanadium_analysis.instrument_model.resolution_model
+)
+diffusion_model_analysis.instrument_model.resolution_model.fix_all_parameters()
+
+# %%NBQA-CELL-SEP5932b7
+diffusion_model_analysis.plot_data_and_model()
+
+# %%NBQA-CELL-SEP5932b7
+diffusion_model_analysis.fit(fit_method='simultaneous')
+diffusion_model_analysis.plot_data_and_model()
+
+# %%NBQA-CELL-SEP5932b7
+diffusion_model.get_all_parameters()
diff --git a/src/easydynamics/sample_model/components/exponential.py b/src/easydynamics/sample_model/components/exponential.py
index 14e82c229..56a72912c 100644
--- a/src/easydynamics/sample_model/components/exponential.py
+++ b/src/easydynamics/sample_model/components/exponential.py
@@ -39,6 +39,7 @@ def __init__(
             amplitude (Numeric | Parameter, default=1.0): Amplitude of the
                 Exponential.
             center (Numeric | Parameter | None, default=None): Center of the Exponential.
+                If None, the center is fixed at 0.
             rate (Numeric | Parameter, default=1.0): Decay or growth
                 constant of the Exponential.
             unit (str | sc.Unit, default='meV'): Unit of the parameters.
@@ -70,7 +71,7 @@ def __init__(
             )
 
         center = self._create_center_parameter(
-            center=center, name=display_name, fix_if_none=False, unit=self._unit
+            center=center, name=display_name, fix_if_none=True, unit=self._unit
         )
 
         if not isinstance(rate, (Parameter, Numeric)):
diff --git a/tests/unit/easydynamics/sample_model/components/test_exponential.py b/tests/unit/easydynamics/sample_model/components/test_exponential.py
index 7e9499c36..d61be76e5 100644
--- a/tests/unit/easydynamics/sample_model/components/test_exponential.py
+++ b/tests/unit/easydynamics/sample_model/components/test_exponential.py
@@ -125,6 +125,17 @@ def test_property_setters(
         with pytest.raises(TypeError, match=invalid_message):
             setattr(exponential, prop, invalid_value)
 
+    def test_center_is_fixed_if_set_to_None(self, exponential: Exponential):
+        # WHEN
+        assert exponential.center.fixed is False
+
+        # THEN
+        exponential.center = None
+
+        # EXPECT
+        assert exponential.center.value == 0.0
+        assert exponential.center.fixed is True
+
     def test_evaluate(self, exponential: Exponential):
         # WHEN
         x = np.array([0.0, 0.5, 1.0])
@@ -168,6 +179,11 @@ def test_convert_unit(self, exponential: Exponential):
         assert exponential.rate.value == 1.2 / 1e3
         assert str(exponential.rate.unit) == '1/ueV'
 
+    def test_convert_unit_incorrect_unit_raises(self, exponential: Exponential):
+        # WHEN THEN EXPECT
+        with pytest.raises(TypeError, match='unit must be a string or sc.Unit'):
+            exponential.convert_unit(123)
+
     def test_convert_unit_rollback(self, exponential: Exponential):
         # WHEN
         with pytest.raises(
diff --git a/tests/unit/easydynamics/sample_model/components/test_model_component.py b/tests/unit/easydynamics/sample_model/components/test_model_component.py
index 3bd917422..93e42bc09 100644
--- a/tests/unit/easydynamics/sample_model/components/test_model_component.py
+++ b/tests/unit/easydynamics/sample_model/components/test_model_component.py
@@ -46,6 +46,11 @@ def test_convert_unit(self, dummy: DummyComponent):
         assert dummy.center.value == 2 * 1e3
         assert dummy.width.value == 3 * 1e3
 
+    def test_convert_unit_incorrect_unit_raises(self, dummy: DummyComponent):
+        # WHEN THEN EXPECT
+        with pytest.raises(TypeError, match='Unit must be a string or sc.Unit'):
+            dummy.convert_unit(123)
+
     def test_free_and_fix_all_parameters(self, dummy):
         # WHEN THEN EXPECT
         dummy.free_all_parameters()
diff --git a/tests/unit/easydynamics/sample_model/test_component_collection.py b/tests/unit/easydynamics/sample_model/test_component_collection.py
index 595cdb8ed..fcc65b6f1 100644
--- a/tests/unit/easydynamics/sample_model/test_component_collection.py
+++ b/tests/unit/easydynamics/sample_model/test_component_collection.py
@@ -177,6 +177,10 @@ def test_is_empty_setter(self, component_collection):
         with pytest.raises(AttributeError, match='is_empty is a read-only property.'):
             component_collection.is_empty = True
 
+    def test_component_setter_empty_list(self, component_collection):
+        component_collection.components = []
+        assert component_collection.components == []
+
     def test_list_component_names(self, component_collection):
         # WHEN THEN
         components = component_collection.list_component_names()
@@ -198,6 +202,11 @@ def test_convert_unit(self, component_collection):
         for component in component_collection.components:
             assert component.unit == 'eV'
 
+    def test_convert_unit_incorrect_unit_raises(self, component_collection):
+        # WHEN THEN EXPECT
+        with pytest.raises(TypeError, match='Unit must be a string or sc.Unit'):
+            component_collection.convert_unit(123)
+
     def test_convert_unit_failure_rolls_back(self, component_collection):
         # WHEN THEN
         # Introduce a faulty component that will fail conversion
diff --git a/tests/unit/easydynamics/sample_model/test_model_base.py b/tests/unit/easydynamics/sample_model/test_model_base.py
index 8b39c6f38..4368823aa 100644
--- a/tests/unit/easydynamics/sample_model/test_model_base.py
+++ b/tests/unit/easydynamics/sample_model/test_model_base.py
@@ -266,6 +266,11 @@ def test_convert_unit_invalid_raises(self, model_base):
         with pytest.raises(Exception):
             model_base.convert_unit('invalid_unit')
 
+    def test_convert_unit_incorrect_unit_raises(self, model_base):
+        # WHEN THEN EXPECT
+        with pytest.raises(TypeError, match='Unit must be a string or sc.Unit'):
+            model_base.convert_unit(123)
+
     def test_components_setter(self, model_base):
         # WHEN
         new_component = Lorentzian(unique_name='NewLorentzian')

From 6450ead852b93ed79ceb2f90cfa9f8c6acf55e87 Mon Sep 17 00:00:00 2001
From: henrikjacobsenfys <henrik.jacobsen.fys@gmail.com>
Date: Mon, 16 Mar 2026 12:08:29 +0100
Subject: [PATCH 31/31] delete temp files

---
 .../analysis1dnc5wfazv_nbqa_ipynb.py          |  54 -----
 .../tutorials/analysis5dsibvoj_nbqa_ipynb.py  | 208 ------------------
 ...component_collectionnkus_vfh_nbqa_ipynb.py |  39 ----
 .../componentsxo0xyr8r_nbqa_ipynb.py          |  76 -------
 .../convolution98p78z7o_nbqa_ipynb.py         | 167 --------------
 .../detailed_balancetqju34kv_nbqa_ipynb.py    |  46 ----
 .../diffusion_model58y3qb6__nbqa_ipynb.py     |  53 -----
 .../experimentbgw31e06_nbqa_ipynb.py          |  29 ---
 .../tutorials/indexqpz_wmw5_nbqa_ipynb.py     |   0
 .../instrument_modelw4cdd861_nbqa_ipynb.py    |  35 ---
 .../sample_modelzmrku316_nbqa_ipynb.py        |  89 --------
 .../tutorial1_browniant5se346o_nbqa_ipynb.py  | 193 ----------------
 12 files changed, 989 deletions(-)
 delete mode 100644 docs/docs/tutorials/analysis1dnc5wfazv_nbqa_ipynb.py
 delete mode 100644 docs/docs/tutorials/analysis5dsibvoj_nbqa_ipynb.py
 delete mode 100644 docs/docs/tutorials/component_collectionnkus_vfh_nbqa_ipynb.py
 delete mode 100644 docs/docs/tutorials/componentsxo0xyr8r_nbqa_ipynb.py
 delete mode 100644 docs/docs/tutorials/convolution98p78z7o_nbqa_ipynb.py
 delete mode 100644 docs/docs/tutorials/detailed_balancetqju34kv_nbqa_ipynb.py
 delete mode 100644 docs/docs/tutorials/diffusion_model58y3qb6__nbqa_ipynb.py
 delete mode 100644 docs/docs/tutorials/experimentbgw31e06_nbqa_ipynb.py
 delete mode 100644 docs/docs/tutorials/indexqpz_wmw5_nbqa_ipynb.py
 delete mode 100644 docs/docs/tutorials/instrument_modelw4cdd861_nbqa_ipynb.py
 delete mode 100644 docs/docs/tutorials/sample_modelzmrku316_nbqa_ipynb.py
 delete mode 100644 docs/docs/tutorials/tutorial1_browniant5se346o_nbqa_ipynb.py

diff --git a/docs/docs/tutorials/analysis1dnc5wfazv_nbqa_ipynb.py b/docs/docs/tutorials/analysis1dnc5wfazv_nbqa_ipynb.py
deleted file mode 100644
index 93a5d380b..000000000
--- a/docs/docs/tutorials/analysis1dnc5wfazv_nbqa_ipynb.py
+++ /dev/null
@@ -1,54 +0,0 @@
-# %%NBQA-CELL-SEP5932b7
-import pooch
-
-from easydynamics.analysis.analysis1d import Analysis1d
-from easydynamics.experiment import Experiment
-from easydynamics.sample_model import DeltaFunction
-from easydynamics.sample_model import Gaussian
-from easydynamics.sample_model import Polynomial
-from easydynamics.sample_model.background_model import BackgroundModel
-from easydynamics.sample_model.instrument_model import InstrumentModel
-from easydynamics.sample_model.resolution_model import ResolutionModel
-from easydynamics.sample_model.sample_model import SampleModel
-
-hash(0xF69AF408)
-
-# %%NBQA-CELL-SEP5932b7
-vanadium_experiment = Experiment('Vanadium')
-
-file_path = pooch.retrieve(
-    url='https://github.com/easyscience/dynamics-lib/raw/refs/heads/master/docs/docs/tutorials/data/vanadium_data_example.h5',
-    known_hash='16cc1b327c303feeb88fb9dda5390dc4880b62396b1793f98c6fef0b27c7b873',
-)
-
-vanadium_experiment.load_hdf5(filename=file_path)
-
-# %%NBQA-CELL-SEP5932b7
-# Example of Analysis1d with a simple sample model and instrument model
-delta_function = DeltaFunction(display_name='DeltaFunction', area=1)
-sample_model = SampleModel(
-    components=delta_function,
-)
-
-res_gauss = Gaussian(width=0.1)
-resolution_model = ResolutionModel(components=res_gauss)
-
-
-background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
-
-instrument_model = InstrumentModel(
-    resolution_model=resolution_model,
-    background_model=background_model,
-)
-
-my_analysis = Analysis1d(
-    display_name='Vanadium Analysis',
-    experiment=vanadium_experiment,
-    sample_model=sample_model,
-    instrument_model=instrument_model,
-    Q_index=5,
-)
-
-fit_result = my_analysis.fit()
-fig = my_analysis.plot_data_and_model()
-fig
diff --git a/docs/docs/tutorials/analysis5dsibvoj_nbqa_ipynb.py b/docs/docs/tutorials/analysis5dsibvoj_nbqa_ipynb.py
deleted file mode 100644
index 5a84a3762..000000000
--- a/docs/docs/tutorials/analysis5dsibvoj_nbqa_ipynb.py
+++ /dev/null
@@ -1,208 +0,0 @@
-# %%NBQA-CELL-SEP5932b7
-# Imports
-import pooch
-
-from easydynamics.analysis.analysis import Analysis
-from easydynamics.experiment import Experiment
-from easydynamics.sample_model import BrownianTranslationalDiffusion
-from easydynamics.sample_model import ComponentCollection
-from easydynamics.sample_model import DeltaFunction
-from easydynamics.sample_model import Gaussian
-from easydynamics.sample_model import Lorentzian
-from easydynamics.sample_model import Polynomial
-from easydynamics.sample_model.background_model import BackgroundModel
-from easydynamics.sample_model.instrument_model import InstrumentModel
-from easydynamics.sample_model.resolution_model import ResolutionModel
-from easydynamics.sample_model.sample_model import SampleModel
-
-hash(0x5D2FE732)
-
-# %%NBQA-CELL-SEP5932b7
-# Load the vanadium data
-vanadium_experiment = Experiment('Vanadium')
-file_path = pooch.retrieve(
-    url='https://github.com/easyscience/dynamics-lib/raw/refs/heads/master/docs/docs/tutorials/data/vanadium_data_example.h5',
-    known_hash='16cc1b327c303feeb88fb9dda5390dc4880b62396b1793f98c6fef0b27c7b873',
-)
-
-vanadium_experiment.load_hdf5(filename=file_path)
-
-# %%NBQA-CELL-SEP5932b7
-# Example of Analysis with a simple sample model and instrument model
-# The scattering from vanadium is purely elastic, so we model it with a
-# delta function
-delta_function = DeltaFunction(display_name='DeltaFunction', area=1)
-sample_model = SampleModel(
-    components=delta_function,
-)
-
-# The resolution is in this case modeled as a Gaussian. However, we can
-# add as many components as we like to the resolution model
-res_gauss = Gaussian(width=0.1)
-res_gauss.area.fixed = True
-resolution_components = ComponentCollection()
-resolution_components.append_component(res_gauss)
-resolution_model = ResolutionModel(components=resolution_components)
-
-# The background model is created in the same way. In this case, we use
-# a flat background
-background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
-
-# We combine the resolution abd background model into an instrument
-# model. This model also contains a small energy offset to account for
-# instrument misalignment.
-
-instrument_model = InstrumentModel(
-    resolution_model=resolution_model,
-    background_model=background_model,
-)
-
-# Collect everything into an analysis object.
-vanadium_analysis = Analysis(
-    display_name='Vanadium Full Analysis',
-    experiment=vanadium_experiment,
-    sample_model=sample_model,
-    instrument_model=instrument_model,
-)
-
-# Let us first fit a single Q index and plot the data and model to see
-# how it looks
-fit_result_independent_single_Q = vanadium_analysis.fit(fit_method='independent', Q_index=5)
-vanadium_analysis.plot_data_and_model(Q_index=5)
-
-# %%NBQA-CELL-SEP5932b7
-# It looks good, so let us fit all Q indices independently and plot the
-# results
-fit_result_independent_all_Q = vanadium_analysis.fit(fit_method='independent')
-vanadium_analysis.plot_data_and_model()
-
-# %%NBQA-CELL-SEP5932b7
-# Inspect the Parameters as a scipp Dataset
-vanadium_analysis.parameters_to_dataset()
-
-# %%NBQA-CELL-SEP5932b7
-# Plot some of fitted parameters as a function of Q
-vanadium_analysis.plot_parameters(names=['DeltaFunction area'])
-
-# %%NBQA-CELL-SEP5932b7
-vanadium_analysis.plot_parameters(names=['Gaussian width'])
-
-# %%NBQA-CELL-SEP5932b7
-vanadium_analysis.plot_parameters(names=['energy_offset'])
-
-# %%NBQA-CELL-SEP5932b7
-# Now it's time to look at the data we want to fit. We first load the
-# data
-diffusion_experiment = Experiment('Diffusion')
-
-file_path = pooch.retrieve(
-    url='https://github.com/easyscience/dynamics-lib/raw/refs/heads/master/docs/docs/tutorials/data/diffusion_data_example.h5',
-    known_hash='5fe846b19aacbda8b8b936eb2e5310d025dc56c25b0b353521e7d6b921f229ab',
-)
-
-diffusion_experiment.load_hdf5(filename=file_path)
-
-# %%NBQA-CELL-SEP5932b7
-# Now we set up the model, similarly to how we set up the model for the
-# vanadium data.
-
-delta_function = DeltaFunction(display_name='DeltaFunction', area=0.2)
-lorentzian = Lorentzian(display_name='Lorentzian', area=0.5, width=0.3)
-component_collection = ComponentCollection(
-    components=[delta_function, lorentzian],
-)
-
-sample_model = SampleModel(
-    components=component_collection,
-)
-
-background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
-
-instrument_model = InstrumentModel(
-    background_model=background_model,
-)
-
-diffusion_analysis = Analysis(
-    display_name='Diffusion Full Analysis',
-    experiment=diffusion_experiment,
-    sample_model=sample_model,
-    instrument_model=instrument_model,
-)
-
-# We need to hack in the resolution model from the vanadium analysis,
-# since the setters and getters overwrite the model. This will be fixed
-# asap.
-diffusion_analysis.instrument_model._resolution_model = (
-    vanadium_analysis.instrument_model.resolution_model
-)
-
-# We fix all parameters of the resolution model.
-diffusion_analysis.instrument_model.resolution_model.fix_all_parameters()
-
-# %%NBQA-CELL-SEP5932b7
-# Let us see how good the starting parameters are
-diffusion_analysis.plot_data_and_model()
-
-# %%NBQA-CELL-SEP5932b7
-# Now we fit the data and plot the result. Looks good!
-diffusion_analysis.fit(fit_method='independent')
-diffusion_analysis.plot_data_and_model()
-
-# %%NBQA-CELL-SEP5932b7
-# Let us look at the most interesting fit parameters
-diffusion_analysis.plot_parameters(names=['Lorentzian width', 'Lorentzian area'])
-
-# %%NBQA-CELL-SEP5932b7
-# It will be possible to fit this to a DiffusionModel, but that will
-# come later.
-
-# %%NBQA-CELL-SEP5932b7
-# Let us now fit directly to a diffusion model. We replace the
-# Lorentzian with a Brownian translational diffusion model and keep the
-# other parameters the same.
-delta_function = DeltaFunction(display_name='DeltaFunction', area=0.2)
-component_collection = ComponentCollection(
-    components=[delta_function],
-)
-diffusion_model = BrownianTranslationalDiffusion(
-    display_name='Brownian Translational Diffusion', diffusion_coefficient=2.4e-9, scale=0.5
-)
-
-sample_model = SampleModel(
-    components=component_collection,
-    diffusion_models=diffusion_model,
-)
-
-background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
-
-instrument_model = InstrumentModel(
-    background_model=background_model,
-)
-
-diffusion_model_analysis = Analysis(
-    display_name='Diffusion Full Analysis',
-    experiment=diffusion_experiment,
-    sample_model=sample_model,
-    instrument_model=instrument_model,
-)
-
-# We again need to hack in the resolution model from the vanadium
-# analysis, since the setters and getters overwrite the model. This will
-# be fixed asap.
-diffusion_model_analysis.instrument_model._resolution_model = (
-    vanadium_analysis.instrument_model.resolution_model
-)
-diffusion_model_analysis.instrument_model.resolution_model.fix_all_parameters()
-
-# Let us see how good the starting parameters are
-diffusion_model_analysis.plot_data_and_model()
-
-# %%NBQA-CELL-SEP5932b7
-# We now fit all the data simultaneously to the diffusion model, then
-# plot the result. Looks good.
-diffusion_model_analysis.fit(fit_method='simultaneous')
-diffusion_model_analysis.plot_data_and_model()
-
-# %%NBQA-CELL-SEP5932b7
-# Let us look at the fitted diffusion coefficient
-diffusion_model.get_all_parameters()
diff --git a/docs/docs/tutorials/component_collectionnkus_vfh_nbqa_ipynb.py b/docs/docs/tutorials/component_collectionnkus_vfh_nbqa_ipynb.py
deleted file mode 100644
index c84b8f440..000000000
--- a/docs/docs/tutorials/component_collectionnkus_vfh_nbqa_ipynb.py
+++ /dev/null
@@ -1,39 +0,0 @@
-# %%NBQA-CELL-SEP5932b7
-import matplotlib.pyplot as plt
-import numpy as np
-
-from easydynamics.sample_model import ComponentCollection
-from easydynamics.sample_model import DampedHarmonicOscillator
-from easydynamics.sample_model import Gaussian
-from easydynamics.sample_model import Lorentzian
-from easydynamics.sample_model import Polynomial
-
-hash(0x9AFE4A6B)
-
-# %%NBQA-CELL-SEP5932b7
-component_collection = ComponentCollection()
-
-# Creating components
-gaussian = Gaussian(display_name='Gaussian', width=0.5, area=1)
-dho = DampedHarmonicOscillator(display_name='DHO', center=1.0, width=0.3, area=2.0)
-lorentzian = Lorentzian(display_name='Lorentzian', center=-1.0, width=0.2, area=1.0)
-polynomial = Polynomial(display_name='Polynomial', coefficients=[0.1, 0, 0.5])  # y=0.1+0.5*x^2
-
-# Adding components to the component collection
-component_collection.append_component(gaussian)
-component_collection.append_component(dho)
-component_collection.append_component(lorentzian)
-component_collection.append_component(polynomial)
-
-x = np.linspace(-2, 2, 100)
-
-plt.figure()
-y = component_collection.evaluate(x)
-plt.plot(x, y, label='Component collection')
-
-for component in component_collection.components:
-    y = component.evaluate(x)
-    plt.plot(x, y, label=component.display_name)
-
-plt.legend()
-plt.show()
diff --git a/docs/docs/tutorials/componentsxo0xyr8r_nbqa_ipynb.py b/docs/docs/tutorials/componentsxo0xyr8r_nbqa_ipynb.py
deleted file mode 100644
index 1b66e3f4a..000000000
--- a/docs/docs/tutorials/componentsxo0xyr8r_nbqa_ipynb.py
+++ /dev/null
@@ -1,76 +0,0 @@
-# %%NBQA-CELL-SEP5932b7
-import matplotlib.pyplot as plt
-import numpy as np
-import scipp as sc
-
-from easydynamics.sample_model import DampedHarmonicOscillator
-from easydynamics.sample_model import DeltaFunction
-from easydynamics.sample_model import Exponential
-from easydynamics.sample_model import Gaussian
-from easydynamics.sample_model import Lorentzian
-from easydynamics.sample_model import Polynomial
-
-hash(0xE0A2D949)
-
-# %%NBQA-CELL-SEP5932b7
-# Creating a component
-gaussian = Gaussian(display_name='Gaussian', width=0.5, area=1)
-dho = DampedHarmonicOscillator(display_name='DHO', center=1.0, width=0.3, area=2.0)
-lorentzian = Lorentzian(display_name='Lorentzian', center=-1.0, width=0.2, area=1.0)
-polynomial = Polynomial(display_name='Polynomial', coefficients=[0.1, 0, 0.5])  # y=0.1+0.5*x^2
-exponential = Exponential(display_name='Exponential', amplitude=1.0, rate=-0.5)
-
-x = np.linspace(-2, 2, 100)
-
-plt.figure()
-y = gaussian.evaluate(x)
-plt.plot(x, y, label='Gaussian')
-y = dho.evaluate(x)
-plt.plot(x, y, label='DHO')
-y = lorentzian.evaluate(x)
-plt.plot(x, y, label='Lorentzian')
-y = polynomial.evaluate(x)
-plt.plot(x, y, label='Polynomial')
-y = exponential.evaluate(x)
-plt.plot(x, y, label='Exponential')
-plt.legend()
-plt.show()
-
-# %%NBQA-CELL-SEP5932b7
-# The area under the DHO curve is indeed equal to the area parameter.
-xx = np.linspace(-15, 15, 10000)
-yy = dho.evaluate(xx)
-area = np.trapezoid(yy, xx)
-print(f'Area under DHO curve: {area:.4f}')
-
-# %%NBQA-CELL-SEP5932b7
-delta = DeltaFunction(display_name='Delta', center=0.0, area=1.0)
-x1 = np.linspace(-2, 2, 100)
-y = delta.evaluate(x1)
-x2 = np.linspace(-2, 2, 51)
-y2 = delta.evaluate(x2)
-plt.figure()
-plt.plot(x1, y, label='Delta Function')
-plt.plot(x2, y2, label='Delta Function (coarser)')
-plt.legend()
-plt.show()
-# The area under the Delta function is indeed equal to
-# the area parameter.
-xx = np.linspace(-2, 2, 10000)
-yy = delta.evaluate(xx)
-area = np.trapezoid(y, x1)
-print(area)
-
-# %%NBQA-CELL-SEP5932b7
-x1 = sc.linspace(dim='x', start=-2.0, stop=2.0, num=100, unit='meV')
-x2 = sc.linspace(dim='x', start=-2.0 * 1e3, stop=2.0 * 1e3, num=101, unit='microeV')
-
-polynomial = Polynomial(display_name='Polynomial', coefficients=[0.1, 0, 0.5])  # y=0.1+0.5*x^2
-y1 = polynomial.evaluate(x1)
-y2 = polynomial.evaluate(x2)
-
-plt.figure()
-plt.plot(x1.values, y1, label='Polynomial meV', color='blue')
-plt.plot(x2.values / 1000, y2, label='Polynomial microeV', linestyle='dashed', color='orange')
-plt.legend()
-plt.show()
diff --git a/docs/docs/tutorials/convolution98p78z7o_nbqa_ipynb.py b/docs/docs/tutorials/convolution98p78z7o_nbqa_ipynb.py
deleted file mode 100644
index 3a6950fdd..000000000
--- a/docs/docs/tutorials/convolution98p78z7o_nbqa_ipynb.py
+++ /dev/null
@@ -1,167 +0,0 @@
-# %%NBQA-CELL-SEP5932b7
-import matplotlib.pyplot as plt
-import numpy as np
-
-from easydynamics.convolution import Convolution
-from easydynamics.sample_model import DampedHarmonicOscillator
-from easydynamics.sample_model import DeltaFunction
-from easydynamics.sample_model import Gaussian
-from easydynamics.sample_model import Lorentzian
-from easydynamics.sample_model.component_collection import ComponentCollection
-from easydynamics.utils import _detailed_balance_factor as detailed_balance_factor
-
-hash(0xCC7EF502)
-
-# %%NBQA-CELL-SEP5932b7
-# Standard example of convolution of a sample model with a
-# resolution model
-sample_components = ComponentCollection()
-gaussian = Gaussian(display_name='Gaussian', width=0.5, area=1)
-dho = DampedHarmonicOscillator(display_name='DHO', center=1.0, width=0.3, area=2.0)
-lorentzian = Lorentzian(display_name='Lorentzian', center=-1.0, width=0.2, area=1.0)
-delta = DeltaFunction(display_name='Delta', center=0.4, area=0.5)
-sample_components.append_component(gaussian)
-# sample_components.append_component(dho)
-sample_components.append_component(lorentzian)
-sample_components.append_component(delta)
-
-resolution_components = ComponentCollection()
-resolution_gaussian = Gaussian(display_name='Resolution Gaussian', width=0.015, area=0.8)
-resolution_lorentzian = Lorentzian(display_name='Resolution Lorentzian', width=0.025, area=0.2)
-resolution_components.append_component(resolution_gaussian)
-resolution_components.append_component(resolution_lorentzian)
-
-energy = np.linspace(-2, 2, 100)
-
-convolver = Convolution(
-    sample_components=sample_components, resolution_components=resolution_components, energy=energy
-)
-y = convolver.convolution()
-plt.figure()
-plt.plot(energy, y, label='Convoluted Model')
-plt.xlabel('Energy (meV)')
-plt.ylabel('Intensity (arb. units)')
-plt.title('Convolution of Sample Model with Resolution Model')
-
-plt.plot(energy, sample_components.evaluate(energy), label='Sample Model', linestyle='--')
-plt.plot(energy, resolution_components.evaluate(energy), label='Resolution Model', linestyle=':')
-
-plt.legend()
-# set the limit on the y axis
-plt.ylim(0, 6)
-plt.show()
-
-# %%NBQA-CELL-SEP5932b7
-# Use some of the extra settings for the numerical convolution
-sample_components = ComponentCollection()
-gaussian = Gaussian(display_name='Gaussian', width=0.3, area=1)
-dho = DampedHarmonicOscillator(display_name='DHO', center=1.0, width=0.3, area=2.0)
-lorentzian = Lorentzian(display_name='Lorentzian', center=-1.0, width=0.2, area=1.0)
-delta = DeltaFunction(display_name='Delta', center=0.4, area=0.5)
-sample_components.append_component(gaussian)
-sample_components.append_component(dho)
-sample_components.append_component(lorentzian)
-sample_components.append_component(delta)
-
-resolution_components = ComponentCollection()
-resolution_gaussian = Gaussian(display_name='Resolution Gaussian', width=0.15, area=0.8)
-resolution_lorentzian = Lorentzian(display_name='Resolution Lorentzian', width=0.25, area=0.2)
-resolution_components.append_component(resolution_gaussian)
-resolution_components.append_component(resolution_lorentzian)
-
-energy = np.linspace(-2, 2, 100)
-
-
-temperature = 10.0  # Temperature in Kelvin
-energy_offset = 0.5
-upsample_factor = 5
-extension_factor = 0.5
-plt.figure()
-plt.xlabel('Energy (meV)')
-plt.ylabel('Intensity (arb. units)')
-
-convolver = Convolution(
-    sample_components=sample_components,
-    resolution_components=resolution_components,
-    energy=energy - energy_offset,
-    upsample_factor=upsample_factor,
-    extension_factor=extension_factor,
-    temperature=temperature,
-    normalize_detailed_balance=True,
-)
-y = convolver.convolution()
-
-
-plt.plot(energy, y, label='Convoluted Model')
-
-plt.plot(
-    energy,
-    sample_components.evaluate(energy - energy_offset)
-    * detailed_balance_factor(energy - energy_offset, temperature),
-    label='Sample Model with DB',
-    linestyle='--',
-)
-
-plt.plot(energy, resolution_components.evaluate(energy), label='Resolution Model', linestyle=':')
-plt.title('Convolution of Sample Model with Resolution Model with detailed balancing')
-
-plt.legend()
-plt.ylim(0, 2.5)
-plt.show()
-
-# %%NBQA-CELL-SEP5932b7
-# Use some of the extra settings for the numerical convolution
-sample_components = ComponentCollection()
-gaussian = Gaussian(display_name='Gaussian', width=0.3, area=1)
-dho = DampedHarmonicOscillator(display_name='DHO', center=1.0, width=0.3, area=2.0)
-lorentzian = Lorentzian(display_name='Lorentzian', center=-1.0, width=0.2, area=1.0)
-delta = DeltaFunction(display_name='Delta', center=0.4, area=0.5)
-sample_components.append_component(gaussian)
-# sample_components.append_component(dho)
-sample_components.append_component(lorentzian)
-# sample_components.append_component(delta)
-
-resolution_components = ComponentCollection()
-resolution_gaussian = Gaussian(display_name='Resolution Gaussian', width=0.15, area=0.8)
-resolution_lorentzian = Lorentzian(display_name='Resolution Lorentzian', width=0.25, area=0.2)
-resolution_components.append_component(resolution_gaussian)
-# resolution_components.append_component(resolution_lorentzian)
-
-energy = np.linspace(-2, 2, 100)
-
-
-temperature = 10.0  # Temperature in Kelvin
-energy_offset = 0.2
-upsample_factor = 5
-extension_factor = 0.5
-plt.figure()
-plt.xlabel('Energy (meV)')
-plt.ylabel('Intensity (arb. units)')
-
-convolver = Convolution(
-    sample_components=sample_components,
-    resolution_components=resolution_components,
-    energy=energy,
-    upsample_factor=upsample_factor,
-    extension_factor=extension_factor,
-    energy_offset=energy_offset,
-    temperature=temperature,
-)
-y = convolver.convolution()
-
-
-plt.plot(energy, y, label='Convoluted Model')
-
-plt.plot(
-    energy,
-    sample_components.evaluate(energy - energy_offset),
-    label='Sample Model',
-    linestyle='--',
-)
-
-plt.plot(energy, resolution_components.evaluate(energy), label='Resolution Model', linestyle=':')
-plt.title('Convolution of Sample Model with Resolution Model')
-
-plt.legend()
-plt.ylim(0, 2.5)
-plt.show()
diff --git a/docs/docs/tutorials/detailed_balancetqju34kv_nbqa_ipynb.py b/docs/docs/tutorials/detailed_balancetqju34kv_nbqa_ipynb.py
deleted file mode 100644
index 58cbc2fc9..000000000
--- a/docs/docs/tutorials/detailed_balancetqju34kv_nbqa_ipynb.py
+++ /dev/null
@@ -1,46 +0,0 @@
-# %%NBQA-CELL-SEP5932b7
-import matplotlib.pyplot as plt
-import numpy as np
-
-from easydynamics.utils import _detailed_balance_factor as detailed_balance_factor
-
-hash(0x36C9BD93)
-
-# %%NBQA-CELL-SEP5932b7
-temperatures = [1, 10, 100]
-temperature_unit = 'K'
-energy = np.linspace(-1, 1, 100)
-# energy=1.0
-energy_unit = 'meV'
-
-plt.figure()
-for temperature in temperatures:
-    DBF = detailed_balance_factor(energy, temperature, energy_unit, temperature_unit)
-    plt.plot(energy, DBF, label=f'T={temperature} K')
-plt.legend()
-plt.xlabel('Energy transfer (meV)')
-plt.ylabel('Detailed balance factor')
-plt.title(
-    'Detailed balance factor for different temperatures, \n '
-    'normalized to 1 at zero energy transfer'
-)
-plt.show()
-
-# %%NBQA-CELL-SEP5932b7
-temperatures = [1, 10, 100]
-temperature_unit = 'K'
-energy = np.linspace(-1, 1, 100)
-# energy=1.0
-energy_unit = 'meV'
-
-plt.figure()
-for temperature in temperatures:
-    DBF = detailed_balance_factor(
-        energy, temperature, energy_unit, temperature_unit, divide_by_temperature=False
-    )
-    plt.plot(energy, DBF, label=f'T={temperature} K')
-plt.legend()
-plt.xlabel('Energy transfer (meV)')
-plt.ylabel('Detailed balance factor')
-plt.title('Detailed balance factor for different temperatures, not normalized')
-plt.show()
diff --git a/docs/docs/tutorials/diffusion_model58y3qb6__nbqa_ipynb.py b/docs/docs/tutorials/diffusion_model58y3qb6__nbqa_ipynb.py
deleted file mode 100644
index 3236521c6..000000000
--- a/docs/docs/tutorials/diffusion_model58y3qb6__nbqa_ipynb.py
+++ /dev/null
@@ -1,53 +0,0 @@
-# %%NBQA-CELL-SEP5932b7
-import matplotlib.pyplot as plt
-import numpy as np
-
-from easydynamics.sample_model import BrownianTranslationalDiffusion
-
-hash(0x4D38875)
-
-# %%NBQA-CELL-SEP5932b7
-# Create Brownian Translational Diffusion model
-# and plot the model for different Q values.
-# Q is in Angstrom^-1 and energy in meV.
-
-Q = np.linspace(0.5, 2, 7)
-energy = np.linspace(-2, 2, 501)
-scale = 1.0
-diffusion_coefficient = 2.4e-9  # m^2/s
-
-diffusion_model = BrownianTranslationalDiffusion(
-    display_name='DiffusionModel',
-    scale=scale,
-    diffusion_coefficient=diffusion_coefficient,
-)
-
-component_collections = diffusion_model.create_component_collections(Q)
-
-
-cmap = plt.cm.jet
-nQ = len(component_collections)
-plt.figure()
-for Q_index in range(len(component_collections)):
-    color = cmap(Q_index / (nQ - 1))
-    y = component_collections[Q_index].evaluate(energy)
-    plt.plot(energy, y, label=f'Q={Q[Q_index]} Å^-1', color=color)
-
-plt.legend()
-plt.show()
-plt.xlabel('Energy (meV)')
-plt.ylabel('Intensity (arb. units)')
-plt.title('Brownian Translational Diffusion Model')
-
-# %%NBQA-CELL-SEP5932b7
-# Calculate and plot the half width at half maximum (HWHM) as function
-# of Q
-Q = np.linspace(0.1, 2, 101)
-HWHM = diffusion_model.calculate_width(Q)
-plt.figure()
-plt.plot(Q, HWHM)
-plt.xlabel('Q (Å$^{-1}$)')
-plt.ylabel('HWHM (meV)')
-plt.xlim(0, 2.5)
-plt.ylim(0, max(HWHM) * 1.1)
-plt.title('HWHM vs Q for Brownian Translational Diffusion')
diff --git a/docs/docs/tutorials/experimentbgw31e06_nbqa_ipynb.py b/docs/docs/tutorials/experimentbgw31e06_nbqa_ipynb.py
deleted file mode 100644
index d4d7f3416..000000000
--- a/docs/docs/tutorials/experimentbgw31e06_nbqa_ipynb.py
+++ /dev/null
@@ -1,29 +0,0 @@
-# %%NBQA-CELL-SEP5932b7
-import pooch
-
-from easydynamics.experiment import Experiment
-
-hash(0x3AE3B342)
-
-# %%NBQA-CELL-SEP5932b7
-# Load and plot example vanadium data
-# Load the vanadium data
-vanadium_experiment = Experiment('Vanadium')
-
-file_path = pooch.retrieve(
-    url='https://github.com/easyscience/dynamics-lib/raw/refs/heads/master/docs/docs/tutorials/data/vanadium_data_example.h5',
-    known_hash='16cc1b327c303feeb88fb9dda5390dc4880b62396b1793f98c6fef0b27c7b873',
-)
-
-vanadium_experiment.load_hdf5(filename=file_path)
-
-vanadium_experiment.plot_data()
-
-# %%NBQA-CELL-SEP5932b7
-# Rebin the data and plot again
-vanadium_experiment.rebin({'Q': 5, 'energy': 50})
-vanadium_experiment.plot_data()
-
-# %%NBQA-CELL-SEP5932b7
-# Plot using the plopp slicer with extra arguments
-vanadium_experiment.plot_data(slicer=True, keep='energy', vmin=0, vmax=2.0)
diff --git a/docs/docs/tutorials/indexqpz_wmw5_nbqa_ipynb.py b/docs/docs/tutorials/indexqpz_wmw5_nbqa_ipynb.py
deleted file mode 100644
index e69de29bb..000000000
diff --git a/docs/docs/tutorials/instrument_modelw4cdd861_nbqa_ipynb.py b/docs/docs/tutorials/instrument_modelw4cdd861_nbqa_ipynb.py
deleted file mode 100644
index 9b614b9e0..000000000
--- a/docs/docs/tutorials/instrument_modelw4cdd861_nbqa_ipynb.py
+++ /dev/null
@@ -1,35 +0,0 @@
-# %%NBQA-CELL-SEP5932b7
-import numpy as np
-
-from easydynamics.sample_model import Gaussian
-from easydynamics.sample_model import Polynomial
-from easydynamics.sample_model.background_model import BackgroundModel
-from easydynamics.sample_model.instrument_model import InstrumentModel
-from easydynamics.sample_model.resolution_model import ResolutionModel
-
-hash(0x51DBF3)
-
-# %%NBQA-CELL-SEP5932b7
-# Create a BackgroundModel and a ResolutionModel and add them to an
-# InstrumentModel
-
-Q = np.linspace(0.1, 2.0, 5)
-
-background_model = BackgroundModel()
-background_model.components = Polynomial(coefficients=[1, 0.1, 0.01])
-
-resolution_model = ResolutionModel()
-resolution_model.append_component(Gaussian(width=0.05))
-
-instrument_model = InstrumentModel(
-    Q=Q,
-    resolution_model=resolution_model,
-    background_model=background_model,
-)
-
-# %%NBQA-CELL-SEP5932b7
-instrument_model.get_all_variables(Q_index=1)
-
-# %%NBQA-CELL-SEP5932b7
-instrument_model.fix_resolution_parameters()
-instrument_model.get_all_variables(Q_index=1)
diff --git a/docs/docs/tutorials/sample_modelzmrku316_nbqa_ipynb.py b/docs/docs/tutorials/sample_modelzmrku316_nbqa_ipynb.py
deleted file mode 100644
index ea977d759..000000000
--- a/docs/docs/tutorials/sample_modelzmrku316_nbqa_ipynb.py
+++ /dev/null
@@ -1,89 +0,0 @@
-# %%NBQA-CELL-SEP5932b7
-import matplotlib.pyplot as plt
-import numpy as np
-
-from easydynamics.sample_model import BrownianTranslationalDiffusion
-from easydynamics.sample_model import ComponentCollection
-from easydynamics.sample_model import DampedHarmonicOscillator
-from easydynamics.sample_model import Gaussian
-from easydynamics.sample_model import Polynomial
-from easydynamics.sample_model.background_model import BackgroundModel
-from easydynamics.sample_model.resolution_model import ResolutionModel
-from easydynamics.sample_model.sample_model import SampleModel
-
-hash(0xFF4B0398)
-
-# %%NBQA-CELL-SEP5932b7
-# Create a diffusion_model and components for the SampleModel
-Q = np.linspace(0.5, 2, 7)
-energy = np.linspace(-2, 2, 501)
-
-scale = 1.0
-diffusion_coefficient = 2.4e-9  # m^2/s
-diffusion_model = BrownianTranslationalDiffusion(
-    display_name='DiffusionModel',
-    scale=scale,
-    diffusion_coefficient=diffusion_coefficient,
-)
-
-
-# Creating components
-component_collection = ComponentCollection()
-gaussian = Gaussian(display_name='Gaussian', width=0.2, area=1, center=1.5)
-dho = DampedHarmonicOscillator(display_name='DHO', center=1.0, width=0.3, area=2.0)
-
-# Adding components to the component collection
-component_collection.append_component(gaussian)
-component_collection.append_component(dho)
-
-sample_model = SampleModel(
-    diffusion_models=diffusion_model,
-    components=component_collection,
-    Q=Q,
-    unit='meV',
-    display_name='MySampleModel',
-    temperature=10,
-)
-
-# Calculate the model intensity at the specified Q and energy values
-# y_list will be a list of intensity arrays, one for each Q value
-sample_intensity = sample_model.evaluate(energy)
-
-plt.figure()
-for i, Q_value in enumerate(Q):
-    plt.plot(energy, sample_intensity[i], label=f'Q={Q_value:.2f} Å⁻¹')
-plt.xlabel('Energy (meV)')
-plt.ylabel('Intensity (a.u.)')
-plt.title('Sample Model Evaluation at 10 K')
-plt.legend()
-plt.show()
-
-# %%NBQA-CELL-SEP5932b7
-# Create a BackgroundModel and show other ways to set Q and components
-
-background_model = BackgroundModel()
-background_model.Q = Q
-
-background_model.components = Polynomial(coefficients=[1, 0.1, 0.01])
-background = background_model.evaluate(energy)
-
-# Also create a ResolutionModel.
-# It doesn't do anything here, but shows how to set it up.
-resolution_model = ResolutionModel()
-resolution_model.Q = Q
-resolution_model.append_component(Gaussian(width=0.05))
-resolution = resolution_model.evaluate(energy)
-
-# %%NBQA-CELL-SEP5932b7
-# Plot the three models together
-for i, Q_value in enumerate(Q):
-    plt.figure()
-    plt.plot(energy, sample_intensity[i], label='Sample model')
-    plt.plot(energy, background[i], label='Background model')
-    plt.plot(energy, resolution[i], label='Resolution model')
-    plt.legend()
-    plt.xlabel('Energy (meV)')
-    plt.ylabel('Intensity (a.u.)')
-    plt.title(f'Sample Model Evaluation at 10 K and Q ={Q_value:.2f} Å⁻¹')
-    plt.legend()
-    plt.show()
diff --git a/docs/docs/tutorials/tutorial1_browniant5se346o_nbqa_ipynb.py b/docs/docs/tutorials/tutorial1_browniant5se346o_nbqa_ipynb.py
deleted file mode 100644
index c9ff23f92..000000000
--- a/docs/docs/tutorials/tutorial1_browniant5se346o_nbqa_ipynb.py
+++ /dev/null
@@ -1,193 +0,0 @@
-# %%NBQA-CELL-SEP5932b7
-# Imports
-import pooch
-
-from easydynamics.analysis.analysis import Analysis
-from easydynamics.experiment import Experiment
-from easydynamics.sample_model import BrownianTranslationalDiffusion
-from easydynamics.sample_model import ComponentCollection
-from easydynamics.sample_model import DeltaFunction
-from easydynamics.sample_model import Gaussian
-from easydynamics.sample_model import Lorentzian
-from easydynamics.sample_model import Polynomial
-from easydynamics.sample_model.background_model import BackgroundModel
-from easydynamics.sample_model.instrument_model import InstrumentModel
-from easydynamics.sample_model.resolution_model import ResolutionModel
-from easydynamics.sample_model.sample_model import SampleModel
-
-# Make the plots interactive
-hash(0x69D94788)
-
-# %%NBQA-CELL-SEP5932b7
-# Load the vanadium data
-vanadium_experiment = Experiment('Vanadium')
-
-file_path = pooch.retrieve(
-    url='https://github.com/easyscience/dynamics-lib/raw/refs/heads/master/docs/docs/tutorials/data/vanadium_data_example.h5',
-    known_hash='16cc1b327c303feeb88fb9dda5390dc4880b62396b1793f98c6fef0b27c7b873',
-)
-
-
-vanadium_experiment.load_hdf5(filename=file_path)
-
-# %%NBQA-CELL-SEP5932b7
-vanadium_experiment.plot_data(slicer=False)
-
-# %%NBQA-CELL-SEP5932b7
-vanadium_experiment.plot_data(slicer=True)
-
-# %%NBQA-CELL-SEP5932b7
-delta_function = DeltaFunction(display_name='DeltaFunction', area=1)
-sample_model = SampleModel(components=delta_function)
-
-# %%NBQA-CELL-SEP5932b7
-resolution_components = ComponentCollection()
-res_gauss = Gaussian(width=0.1, area=1, display_name='Res. Gauss')
-res_gauss.area.fixed = True
-resolution_components.append_component(res_gauss)
-resolution_model = ResolutionModel(components=resolution_components)
-
-# %%NBQA-CELL-SEP5932b7
-background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
-
-# %%NBQA-CELL-SEP5932b7
-instrument_model = InstrumentModel(
-    resolution_model=resolution_model,
-    background_model=background_model,
-)
-
-# %%NBQA-CELL-SEP5932b7
-vanadium_analysis = Analysis(
-    display_name='Vanadium Full Analysis',
-    experiment=vanadium_experiment,
-    sample_model=sample_model,
-    instrument_model=instrument_model,
-)
-
-# %%NBQA-CELL-SEP5932b7
-fit_result_independent_single_Q = vanadium_analysis.fit(fit_method='independent', Q_index=5)
-vanadium_analysis.plot_data_and_model(Q_index=5)
-
-# %%NBQA-CELL-SEP5932b7
-fit_result_independent_all_Q = vanadium_analysis.fit(fit_method='independent')
-vanadium_analysis.plot_data_and_model()
-
-# %%NBQA-CELL-SEP5932b7
-# Inspect the Parameters as a scipp Dataset
-vanadium_analysis.parameters_to_dataset()
-
-# %%NBQA-CELL-SEP5932b7
-# Plot some of fitted parameters as a function of Q
-vanadium_analysis.plot_parameters(names=['DeltaFunction area'])
-
-# %%NBQA-CELL-SEP5932b7
-vanadium_analysis.plot_parameters(names=['Res. Gauss width'])
-
-# %%NBQA-CELL-SEP5932b7
-vanadium_analysis.plot_parameters(names=['energy_offset'])
-
-# %%NBQA-CELL-SEP5932b7
-diffusion_experiment = Experiment('Diffusion')
-
-file_path = pooch.retrieve(
-    url='https://github.com/easyscience/dynamics-lib/raw/refs/heads/master/docs/docs/tutorials/data/diffusion_data_example.h5',
-    known_hash='5fe846b19aacbda8b8b936eb2e5310d025dc56c25b0b353521e7d6b921f229ab',
-)
-
-diffusion_experiment.load_hdf5(filename=file_path)
-
-# %%NBQA-CELL-SEP5932b7
-diffusion_experiment.plot_data(slicer=True)
-
-# %%NBQA-CELL-SEP5932b7
-delta_function = DeltaFunction(display_name='DeltaFunction', area=0.2)
-lorentzian = Lorentzian(display_name='Lorentzian', area=0.5, width=0.3)
-component_collection = ComponentCollection(
-    components=[delta_function, lorentzian],
-)
-
-sample_model = SampleModel(
-    components=component_collection,
-)
-
-background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
-
-# %%NBQA-CELL-SEP5932b7
-instrument_model = InstrumentModel(
-    background_model=background_model,
-)
-
-diffusion_analysis = Analysis(
-    display_name='Diffusion Analysis',
-    experiment=diffusion_experiment,
-    sample_model=sample_model,
-    instrument_model=instrument_model,
-)
-
-# We need to hack in the resolution model from the vanadium analysis,
-# since the setters and getters overwrite the model. This will be fixed
-# asap.
-diffusion_analysis.instrument_model._resolution_model = (
-    vanadium_analysis.instrument_model.resolution_model
-)
-
-# %%NBQA-CELL-SEP5932b7
-# We fix all parameters of the resolution model.
-diffusion_analysis.instrument_model.resolution_model.fix_all_parameters()
-
-# %%NBQA-CELL-SEP5932b7
-diffusion_analysis.plot_data_and_model()
-
-# %%NBQA-CELL-SEP5932b7
-diffusion_analysis.fit(fit_method='independent')
-diffusion_analysis.plot_data_and_model()
-
-# %%NBQA-CELL-SEP5932b7
-# Let us look at the most interesting fit parameters
-diffusion_analysis.plot_parameters(names=['Lorentzian width', 'Lorentzian area'])
-
-# %%NBQA-CELL-SEP5932b7
-delta_function = DeltaFunction(display_name='DeltaFunction', area=0.2)
-component_collection = ComponentCollection(
-    components=[delta_function],
-)
-diffusion_model = BrownianTranslationalDiffusion(
-    display_name='Brownian Translational Diffusion', diffusion_coefficient=2.4e-9, scale=0.5
-)
-
-sample_model = SampleModel(
-    components=component_collection,
-    diffusion_models=diffusion_model,
-)
-
-background_model = BackgroundModel(components=Polynomial(coefficients=[0.001]))
-
-instrument_model = InstrumentModel(
-    background_model=background_model,
-)
-
-# %%NBQA-CELL-SEP5932b7
-diffusion_model_analysis = Analysis(
-    display_name='Diffusion Full Analysis',
-    experiment=diffusion_experiment,
-    sample_model=sample_model,
-    instrument_model=instrument_model,
-)
-
-# We again need to hack in the resolution model from the vanadium
-# analysis, since the setters and getters overwrite the model. This will
-# be fixed asap.
-diffusion_model_analysis.instrument_model._resolution_model = (
-    vanadium_analysis.instrument_model.resolution_model
-)
-diffusion_model_analysis.instrument_model.resolution_model.fix_all_parameters()
-
-# %%NBQA-CELL-SEP5932b7
-diffusion_model_analysis.plot_data_and_model()
-
-# %%NBQA-CELL-SEP5932b7
-diffusion_model_analysis.fit(fit_method='simultaneous')
-diffusion_model_analysis.plot_data_and_model()
-
-# %%NBQA-CELL-SEP5932b7
-diffusion_model.get_all_parameters()