diff --git a/packages/essreduce/src/ess/reduce/unwrap/__init__.py b/packages/essreduce/src/ess/reduce/unwrap/__init__.py index 88df2fbb7..f95cc206e 100644 --- a/packages/essreduce/src/ess/reduce/unwrap/__init__.py +++ b/packages/essreduce/src/ess/reduce/unwrap/__init__.py @@ -28,6 +28,7 @@ from .types import ( DetectorLtotal, ErrorLimitedLookupTable, + FrameUnwrapBackend, LookupTable, LookupTableFilename, LookupTableRelativeErrorThreshold, @@ -48,6 +49,7 @@ "DiskChoppers", "DistanceResolution", "ErrorLimitedLookupTable", + "FrameUnwrapBackend", "GenericUnwrapWorkflow", "LookupTable", "LookupTableFilename", diff --git a/packages/essreduce/src/ess/reduce/unwrap/to_wavelength.py b/packages/essreduce/src/ess/reduce/unwrap/to_wavelength.py index a9fe9d362..57726a58c 100644 --- a/packages/essreduce/src/ess/reduce/unwrap/to_wavelength.py +++ b/packages/essreduce/src/ess/reduce/unwrap/to_wavelength.py @@ -7,6 +7,7 @@ event_time_offset coordinates to data with a time-of-flight coordinate. """ +import warnings from collections.abc import Callable from dataclasses import asdict @@ -16,11 +17,6 @@ import scippnexus as snx from scippneutron._utils import elem_unit -try: - from .interpolator_numba import Interpolator as InterpolatorImpl -except ImportError: - from .interpolator_scipy import Interpolator as InterpolatorImpl - from ..nexus.types import ( Component, EmptyDetector, @@ -37,6 +33,7 @@ from .types import ( DetectorLtotal, ErrorLimitedLookupTable, + FrameUnwrapBackend, KeepEventTimeOffset, LookupTable, LookupTableRelativeErrorThreshold, @@ -47,6 +44,39 @@ ) +def _get_interpolator_class(backend: FrameUnwrapBackend) -> type: + if backend == FrameUnwrapBackend.scipy: + from .interpolator_scipy import Interpolator + + return Interpolator + + try: + from numba import get_num_threads, threading_layer + + # Initialize the threading layer now so we can inspect the selected backend + # and fall back before interpolation. + get_num_threads() + if threading_layer() in {'omp', 'tbb'}: + from .interpolator_numba import Interpolator + + return Interpolator + except (ImportError, ValueError): + pass + + warnings.warn( + "The 'numba' frame-unwrapping backend was requested, but Numba is " + "unavailable or did not select a thread-safe threading layer. Falling " + "back to the 'scipy' backend. This fallback is deprecated and will be " + "an error in a future release. Select the SciPy backend explicitly with " + "backend='scipy'.", + FutureWarning, + stacklevel=3, + ) + from .interpolator_scipy import Interpolator + + return Interpolator + + class WavelengthInterpolator: def __init__( self, @@ -54,6 +84,7 @@ def __init__( distance_unit: str, time_unit: str, wavelength_unit: str = 'angstrom', + backend: FrameUnwrapBackend = FrameUnwrapBackend.numba, ): """ Interpolator object that converts event_time_offset and distances to @@ -96,7 +127,7 @@ def __init__( distances = lookup.coords["distance"].to(unit=distance_unit, copy=False) - self._interpolator = InterpolatorImpl( + self._interpolator = _get_interpolator_class(backend)( time_edges=time_coord, distance_edges=distances.values, values=( @@ -137,7 +168,10 @@ def __call__( def _compute_wavelength_histogram( - da: sc.DataArray, lookup: LookupTable, ltotal: sc.Variable + da: sc.DataArray, + lookup: LookupTable, + ltotal: sc.Variable, + backend: FrameUnwrapBackend, ) -> sc.DataArray: # In NeXus, 'time_of_flight' is the canonical name in NXmonitor, but in some files, # it may be called 'tof' or 'frame_time'. @@ -164,7 +198,10 @@ def _compute_wavelength_histogram( # Create linear interpolator interp = WavelengthInterpolator( - lookup.array, distance_unit=ltotal.unit, time_unit=eto_unit + lookup.array, + distance_unit=ltotal.unit, + time_unit=eto_unit, + backend=backend, ) # Compute wavelengths of the bin edges using the interpolator @@ -250,6 +287,7 @@ def _prepare_wavelength_interpolation_inputs( lookup: LookupTable, ltotal: sc.Variable, pulse_stride_offset: int | None, + backend: FrameUnwrapBackend, ) -> dict: """ Prepare the inputs required for the wavelength interpolation. @@ -269,13 +307,18 @@ def _prepare_wavelength_interpolation_inputs( When pulse-skipping, the offset of the first pulse in the stride. This is typically zero but can be a small integer < pulse_stride. If None, a guess is made. + backend: + Backend used to interpolate the wavelength lookup table. """ etos = da.bins.coords["event_time_offset"].to(dtype=float, copy=False) eto_unit = elem_unit(etos) # Create linear interpolator interp = WavelengthInterpolator( - lookup.array, distance_unit=ltotal.unit, time_unit=eto_unit + lookup.array, + distance_unit=ltotal.unit, + time_unit=eto_unit, + backend=backend, ) # Operate on events (broadcast distances to all events) @@ -343,6 +386,7 @@ def _compute_wavelength_events( lookup: LookupTable, ltotal: sc.Variable, pulse_stride_offset: int | None, + backend: FrameUnwrapBackend, keep_event_time_offset: bool, ) -> sc.DataArray: inputs = _prepare_wavelength_interpolation_inputs( @@ -350,6 +394,7 @@ def _compute_wavelength_events( lookup=lookup, ltotal=ltotal, pulse_stride_offset=pulse_stride_offset, + backend=backend, ) # Compute wavelength for all neutrons using the interpolator @@ -476,10 +521,13 @@ def _compute_wavelength_data( lookup: ErrorLimitedLookupTable[RunType, Component], ltotal: sc.Variable, pulse_stride_offset: int, + backend: FrameUnwrapBackend, keep_event_time_offset: bool, ) -> sc.DataArray: if da.bins is None: - data = _compute_wavelength_histogram(da=da, lookup=lookup, ltotal=ltotal) + data = _compute_wavelength_histogram( + da=da, lookup=lookup, ltotal=ltotal, backend=backend + ) out = rebin_strictly_increasing(data, dim='wavelength') else: out = _compute_wavelength_events( @@ -487,6 +535,7 @@ def _compute_wavelength_data( lookup=lookup, ltotal=ltotal, pulse_stride_offset=pulse_stride_offset, + backend=backend, keep_event_time_offset=keep_event_time_offset, ) return out.assign_coords(Ltotal=ltotal) @@ -498,6 +547,7 @@ def detector_wavelength_data( ltotal: DetectorLtotal[RunType], pulse_stride_offset: PulseStrideOffset, keep_event_time_offset: KeepEventTimeOffset, + backend: FrameUnwrapBackend = FrameUnwrapBackend.numba, ) -> WavelengthDetector[RunType]: """ Convert the time-of-arrival (event_time_offset) data to wavelength data using a @@ -520,6 +570,8 @@ def detector_wavelength_data( keep_event_time_offset: Whether to keep the event_time_offset coordinate after converting to wavelength. + backend: + Backend used to interpolate the wavelength lookup table. """ return WavelengthDetector[RunType]( _compute_wavelength_data( @@ -527,6 +579,7 @@ def detector_wavelength_data( lookup=lookup, ltotal=ltotal, pulse_stride_offset=pulse_stride_offset, + backend=backend, keep_event_time_offset=keep_event_time_offset, ) ) @@ -538,6 +591,7 @@ def monitor_wavelength_data( ltotal: MonitorLtotal[RunType, MonitorType], pulse_stride_offset: PulseStrideOffset, keep_event_time_offset: KeepEventTimeOffset, + backend: FrameUnwrapBackend = FrameUnwrapBackend.numba, ) -> WavelengthMonitor[RunType, MonitorType]: """ Convert the time-of-arrival (event_time_offset) data to wavelength data using a @@ -560,6 +614,8 @@ def monitor_wavelength_data( keep_event_time_offset: Whether to keep the event_time_offset coordinate after converting to wavelength. + backend: + Backend used to interpolate the wavelength lookup table. """ return WavelengthMonitor[RunType, MonitorType]( _compute_wavelength_data( @@ -567,6 +623,7 @@ def monitor_wavelength_data( lookup=lookup, ltotal=ltotal, pulse_stride_offset=pulse_stride_offset, + backend=backend, keep_event_time_offset=keep_event_time_offset, ) ) diff --git a/packages/essreduce/src/ess/reduce/unwrap/types.py b/packages/essreduce/src/ess/reduce/unwrap/types.py index fc3ce25f6..4e55d7988 100644 --- a/packages/essreduce/src/ess/reduce/unwrap/types.py +++ b/packages/essreduce/src/ess/reduce/unwrap/types.py @@ -18,6 +18,13 @@ class WavelengthLutMode(StrEnum): file = 'file' +class FrameUnwrapBackend(StrEnum): + """Backend used to interpolate the frame-unwrapping lookup table.""" + + numba = 'numba' + scipy = 'scipy' + + class LookupTableFilename(sl.Scope[RunType, Component, str], str): """Filename of the wavelength lookup table.""" diff --git a/packages/essreduce/src/ess/reduce/unwrap/workflow.py b/packages/essreduce/src/ess/reduce/unwrap/workflow.py index ac2c6ff5a..fa2f58bd4 100644 --- a/packages/essreduce/src/ess/reduce/unwrap/workflow.py +++ b/packages/essreduce/src/ess/reduce/unwrap/workflow.py @@ -6,7 +6,7 @@ from ..nexus import GenericNeXusWorkflow from ..nexus.types import AnyRun -from . import WavelengthLutMode, lut, to_wavelength +from . import FrameUnwrapBackend, WavelengthLutMode, lut, to_wavelength def GenericUnwrapWorkflow( @@ -47,7 +47,6 @@ def GenericUnwrapWorkflow( Mode for creating the wavelength lookup table. Possible values are 'analytical', 'simulation', and 'file'. See https://scipp.github.io/ess/reduce/user-guide/unwrap/lut-building-methods.html - Returns ------- : @@ -62,6 +61,7 @@ def GenericUnwrapWorkflow( wf.insert(provider) for key, value in lut.default_parameters(wavelength_from=wavelength_from).items(): wf[key] = value + wf[FrameUnwrapBackend] = FrameUnwrapBackend.numba return wf diff --git a/packages/essreduce/tests/unwrap/interpolator_test.py b/packages/essreduce/tests/unwrap/interpolator_test.py index b7f14426e..0ee2771ba 100644 --- a/packages/essreduce/tests/unwrap/interpolator_test.py +++ b/packages/essreduce/tests/unwrap/interpolator_test.py @@ -1,8 +1,13 @@ # SPDX-License-Identifier: BSD-3-Clause # Copyright (c) 2025 Scipp contributors (https://github.com/scipp) +from unittest.mock import patch + +import numba import numpy as np +import pytest +from ess.reduce.unwrap import FrameUnwrapBackend, to_wavelength from ess.reduce.unwrap.interpolator_numba import ( Interpolator as InterpolatorNumba, ) @@ -100,3 +105,55 @@ def test_numba_and_scipy_interpolators_yield_same_results_with_values_on_edges() numba_result = numba_interp(times, distances) scipy_result = scipy_interp(times, distances) assert np.allclose(numba_result, scipy_result, equal_nan=True) + + +def test_scipy_backend_selects_scipy(monkeypatch): + def fail_if_called(): + raise AssertionError('Numba should not be checked for the SciPy backend.') + + monkeypatch.setattr(numba, 'get_num_threads', fail_if_called) + + impl = to_wavelength._get_interpolator_class(FrameUnwrapBackend.scipy) + + assert impl is InterpolatorScipy + + +def test_numba_backend_selects_numba(): + impl = to_wavelength._get_interpolator_class(FrameUnwrapBackend.numba) + + assert impl is InterpolatorNumba + + +def test_numba_backend_falls_back_to_scipy_without_threadsafe_backend(monkeypatch): + def unavailable_backend(): + raise ValueError('No threading layer could be loaded.') + + monkeypatch.setattr(numba, 'get_num_threads', unavailable_backend) + + with pytest.warns( + FutureWarning, + match="fallback is deprecated and will be an error in a future release", + ): + impl = to_wavelength._get_interpolator_class(FrameUnwrapBackend.numba) + + assert impl is InterpolatorScipy + + +def test_numba_backend_falls_back_to_scipy_without_numba(): + with ( + patch.dict('sys.modules', {'numba': None}), + pytest.warns(FutureWarning, match="Numba is unavailable"), + ): + impl = to_wavelength._get_interpolator_class(FrameUnwrapBackend.numba) + + assert impl is InterpolatorScipy + + +def test_numba_backend_falls_back_to_scipy_for_workqueue(monkeypatch): + monkeypatch.setattr(numba, 'get_num_threads', lambda: 1) + monkeypatch.setattr(numba, 'threading_layer', lambda: 'workqueue') + + with pytest.warns(FutureWarning, match="thread-safe threading layer"): + impl = to_wavelength._get_interpolator_class(FrameUnwrapBackend.numba) + + assert impl is InterpolatorScipy diff --git a/packages/essreduce/tests/unwrap/workflow_test.py b/packages/essreduce/tests/unwrap/workflow_test.py index 5c3ee3082..db8ad604c 100644 --- a/packages/essreduce/tests/unwrap/workflow_test.py +++ b/packages/essreduce/tests/unwrap/workflow_test.py @@ -22,6 +22,7 @@ SampleRun, ) from ess.reduce.unwrap import ( + FrameUnwrapBackend, GenericUnwrapWorkflow, fakes, simulate_chopper_cascade_using_tof, @@ -33,8 +34,17 @@ Monitor0 = NewType("Monitor0", int) +def test_GenericUnwrapWorkflow_defaults_to_numba_backend(): + wf = GenericUnwrapWorkflow(run_types=[SampleRun], monitor_types=[]) + + assert wf.compute(FrameUnwrapBackend) == FrameUnwrapBackend.numba + + def _make_workflow( - wavelength_from, *, keep_event_time_offset=False + wavelength_from, + *, + backend: FrameUnwrapBackend = FrameUnwrapBackend.numba, + keep_event_time_offset=False, ) -> sciline.Pipeline: sizes = {'detector_number': 10} detector_geometry = sc.DataArray( @@ -88,6 +98,7 @@ def _make_workflow( monitor_types=[Monitor0], wavelength_from=wavelength_from, ) + wf[FrameUnwrapBackend] = backend wf[NeXusDetectorName] = "detector" wf[NeXusName[Monitor0]] = "monitor" wf[unwrap.LookupTableRelativeErrorThreshold] = { @@ -122,10 +133,11 @@ def simulation_results_psc_choppers(): @pytest.mark.parametrize("wavelength_from", ["simulation", "analytical"]) @pytest.mark.parametrize("detector_or_monitor", ["detector", "monitor"]) +@pytest.mark.parametrize("backend", ["numba", "scipy"]) def test_GenericUnwrapWorkflow_computes_wavelength( - wavelength_from, detector_or_monitor, simulation_results_psc_choppers + wavelength_from, detector_or_monitor, backend, simulation_results_psc_choppers ): - wf = _make_workflow(wavelength_from=wavelength_from) + wf = _make_workflow(wavelength_from=wavelength_from, backend=backend) if wavelength_from == "simulation": wf[unwrap.SimulationResults[SampleRun]] = simulation_results_psc_choppers diff --git a/pixi.lock b/pixi.lock index 657c07c42..96b9eebdb 100644 --- a/pixi.lock +++ b/pixi.lock @@ -53,6 +53,8 @@ environments: - 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