essdiffraction 26.5.2__tar.gz → 26.6.0__tar.gz

{essdiffraction-26.5.2/src/essdiffraction.egg-info → essdiffraction-26.6.0}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: essdiffraction
-Version: 26.5.2
+Version: 26.6.0
 Summary: Diffraction data reduction for the European Spallation Source
 Author: Scipp contributors
 License-Expression: BSD-3-Clause
@@ -21,8 +21,8 @@ Requires-Python: >=3.11
 Description-Content-Type: text/markdown
 License-File: LICENSE
 Requires-Dist: dask>=2022.1.0
-Requires-Dist: essreduce>=26.4.0
-Requires-Dist: graphviz
+Requires-Dist: essreduce>=26.6.0
+Requires-Dist: graphviz>=0.20
 Requires-Dist: numpy>=2
 Requires-Dist: plopp>=26.2.0
 Requires-Dist: pythreejs>=2.4.1
@@ -32,28 +32,28 @@ Requires-Dist: scippneutron>=26.3.0
 Requires-Dist: scippnexus>=23.12.0
 Requires-Dist: tof>=25.12.0
 Requires-Dist: ncrystal[cif]>=4.1.0
-Requires-Dist: spglib!=2.7
+Requires-Dist: spglib!=2.7,>=2.0.0
 Provides-Extra: test
 Requires-Dist: pandas>=2.1.2; extra == "test"
 Requires-Dist: pooch>=1.5; extra == "test"
 Requires-Dist: pytest>=7.0; extra == "test"
 Requires-Dist: ipywidgets>=8.1.7; extra == "test"
 Provides-Extra: docs
-Requires-Dist: autodoc-pydantic; extra == "docs"
-Requires-Dist: ipykernel; extra == "docs"
-Requires-Dist: ipympl; extra == "docs"
-Requires-Dist: ipython!=8.7.0; extra == "docs"
-Requires-Dist: myst-parser; extra == "docs"
-Requires-Dist: nbsphinx; extra == "docs"
-Requires-Dist: pandas; extra == "docs"
-Requires-Dist: pooch; extra == "docs"
+Requires-Dist: autodoc-pydantic>=2.0.0; extra == "docs"
+Requires-Dist: ipykernel>=6.20.0; extra == "docs"
+Requires-Dist: ipympl>=0.9.0; extra == "docs"
+Requires-Dist: ipython!=8.7.0,>=8.8.0; extra == "docs"
+Requires-Dist: myst-parser>=2.0.0; extra == "docs"
+Requires-Dist: nbsphinx>=0.9.3; extra == "docs"
+Requires-Dist: pandas>=2.1.2; extra == "docs"
+Requires-Dist: pooch>=1.5; extra == "docs"
 Requires-Dist: pydata-sphinx-theme>=0.14; extra == "docs"
-Requires-Dist: sphinx; extra == "docs"
-Requires-Dist: sphinx-autodoc-typehints; extra == "docs"
-Requires-Dist: sphinx-copybutton; extra == "docs"
-Requires-Dist: sphinx-design; extra == "docs"
-Requires-Dist: sphinxcontrib-bibtex; extra == "docs"
-Requires-Dist: pyarrow; extra == "docs"
+Requires-Dist: sphinx>=7; extra == "docs"
+Requires-Dist: sphinx-autodoc-typehints>=1.24.0; extra == "docs"
+Requires-Dist: sphinx-copybutton>=0.5.2; extra == "docs"
+Requires-Dist: sphinx-design>=0.5.0; extra == "docs"
+Requires-Dist: sphinxcontrib-bibtex>=2.5.0; extra == "docs"
+Requires-Dist: pyarrow>=12.0.0; extra == "docs"
 Dynamic: license-file
 
 [![Contributor Covenant](https://img.shields.io/badge/Contributor%20Covenant-2.1-4baaaa.svg)](CODE_OF_CONDUCT.md)

{essdiffraction-26.5.2 → essdiffraction-26.6.0}/docs/user-guide/dream/dream-make-wavelength-lookup-table.ipynb

@@ -18,8 +18,9 @@
    "outputs": [],
    "source": [
     "import scipp as sc\n",
+    "import scippnexus as snx\n",
     "from ess.reduce import unwrap\n",
-    "from ess.reduce.nexus.types import AnyRun\n",
+    "from ess.reduce.nexus.types import AnyRun, Position\n",
     "from ess.dream.beamline import InstrumentConfiguration, choppers"
    ]
   },
@@ -62,14 +63,13 @@
    "source": [
     "wf = unwrap.LookupTableWorkflow()\n",
     "\n",
-    "wf[unwrap.LtotalRange] = sc.scalar(5.0, unit=\"m\"), sc.scalar(80.0, unit=\"m\")\n",
+    "wf[unwrap.LtotalRange[AnyRun, snx.NXdetector]] = sc.scalar(5.0, unit=\"m\"), sc.scalar(80.0, unit=\"m\")\n",
     "wf[unwrap.NumberOfSimulatedNeutrons] = 200_000  # Increase this number for more reliable results\n",
-    "wf[unwrap.SourcePosition] = sc.vector([0, 0, 0], unit='m')\n",
+    "wf[Position[snx.NXsource, AnyRun]] = sc.vector([0, 0, 0], unit='m')\n",
     "wf[unwrap.DiskChoppers[AnyRun]] = disk_choppers\n",
     "wf[unwrap.DistanceResolution] = sc.scalar(0.1, unit=\"m\")\n",
     "wf[unwrap.TimeResolution] = sc.scalar(250.0, unit='us')\n",
     "wf[unwrap.PulsePeriod] = 1.0 / sc.scalar(14.0, unit=\"Hz\")\n",
-    "wf[unwrap.PulseStride] = 1\n",
     "wf[unwrap.PulseStrideOffset] = None"
    ]
   },
@@ -88,7 +88,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "table = wf.compute(unwrap.LookupTable)\n",
+    "table = wf.compute(unwrap.LookupTable[AnyRun, snx.NXdetector])\n",
     "table.array"
    ]
   },

{essdiffraction-26.5.2 → essdiffraction-26.6.0}/pyproject.toml

@@ -30,8 +30,8 @@ requires-python = ">=3.11"
 # Make sure to list one dependency per line.
 dependencies = [
   "dask>=2022.1.0",
-  "essreduce>=26.4.0",
-  "graphviz",
+  "essreduce>=26.6.0",
+  "graphviz>=0.20",
   "numpy>=2",
   "plopp>=26.2.0",
   "pythreejs>=2.4.1",
@@ -41,7 +41,7 @@ dependencies = [
   "scippnexus>=23.12.0",
   "tof>=25.12.0",
   "ncrystal[cif]>=4.1.0",
-  "spglib!=2.7",  # https://github.com/mctools/ncrystal/issues/320
+  "spglib>=2.0.0,!=2.7",  # https://github.com/mctools/ncrystal/issues/320
 ]
 
 dynamic = ["version"]
@@ -54,23 +54,23 @@ test = [
     "ipywidgets>=8.1.7",
 ]
 docs = [
-    "autodoc-pydantic",
-    "ipykernel",
-    "ipympl",
+    "autodoc-pydantic>=2.0.0",
+    "ipykernel>=6.20.0",
+    "ipympl>=0.9.0",
     # Breaks syntax highlighting in Jupyter code cells.
-    "ipython!=8.7.0",
-    "myst-parser",
-    "nbsphinx",
-    "pandas",
-    "pooch",
+    "ipython>=8.8.0,!=8.7.0",
+    "myst-parser>=2.0.0",
+    "nbsphinx>=0.9.3",
+    "pandas>=2.1.2",
+    "pooch>=1.5",
     "pydata-sphinx-theme>=0.14",
-    "sphinx",
-    "sphinx-autodoc-typehints",
-    "sphinx-copybutton",
-    "sphinx-design",
-    "sphinxcontrib-bibtex",
+    "sphinx>=7",
+    "sphinx-autodoc-typehints>=1.24.0",
+    "sphinx-copybutton>=0.5.2",
+    "sphinx-design>=0.5.0",
+    "sphinxcontrib-bibtex>=2.5.0",
     # needed by pandas < 3.0
-    "pyarrow",
+    "pyarrow>=12.0.0",
 ]
 
 [project.urls]

{essdiffraction-26.5.2 → essdiffraction-26.6.0}/src/ess/dream/workflows.py

@@ -32,7 +32,7 @@ from scippneutron.metadata import Software
 
 from ess.reduce.nexus.types import DetectorBankSizes, NeXusName
 from ess.reduce.parameter import parameter_mappers
-from ess.reduce.unwrap import GenericUnwrapWorkflow
+from ess.reduce.unwrap import GenericUnwrapWorkflow, WavelengthLutMode
 from ess.reduce.workflow import register_workflow
 
 from .beamline import InstrumentConfiguration
@@ -97,7 +97,9 @@ def _collect_reducer_software() -> ReducerSoftware:
     )
 
 
-def DreamWorkflow(**kwargs) -> sciline.Pipeline:
+def DreamWorkflow(
+    wavelength_from: WavelengthLutMode = "file", **kwargs
+) -> sciline.Pipeline:
     """
     Dream generic workflow with default parameters.
     The workflow is based on the GenericUnwrapWorkflow.
@@ -109,6 +111,10 @@ def DreamWorkflow(**kwargs) -> sciline.Pipeline:
 
     Parameters
     ----------
+    wavelength_from:
+        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
     kwargs:
         Additional keyword arguments are forwarded to the base
         :func:`GenericUnwrapWorkflow`.
@@ -116,12 +122,14 @@ def DreamWorkflow(**kwargs) -> sciline.Pipeline:
     wf = GenericUnwrapWorkflow(
         run_types=[SampleRun, VanadiumRun, EmptyCanRun],
         monitor_types=[BunkerMonitor, CaveMonitor],
+        wavelength_from=wavelength_from,
         **kwargs,
     )
     wf[DetectorBankSizes] = DETECTOR_BANK_SIZES
     wf[NeXusName[BunkerMonitor]] = "monitor_bunker"
     wf[NeXusName[CaveMonitor]] = "monitor_cave"
-    wf.insert(_get_lookup_table_filename_from_configuration)
+    if wavelength_from == "file":
+        wf.insert(_get_lookup_table_filename_from_configuration)
     wf[ReducerSoftware] = _collect_reducer_software()
     wf[LookupTableRelativeErrorThreshold] = {
         "endcap_backward_detector": float('inf'),

{essdiffraction-26.5.2 → essdiffraction-26.6.0/src/essdiffraction.egg-info}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.4
 Name: essdiffraction
-Version: 26.5.2
+Version: 26.6.0
 Summary: Diffraction data reduction for the European Spallation Source
 Author: Scipp contributors
 License-Expression: BSD-3-Clause
@@ -21,8 +21,8 @@ Requires-Python: >=3.11
 Description-Content-Type: text/markdown
 License-File: LICENSE
 Requires-Dist: dask>=2022.1.0
-Requires-Dist: essreduce>=26.4.0
-Requires-Dist: graphviz
+Requires-Dist: essreduce>=26.6.0
+Requires-Dist: graphviz>=0.20
 Requires-Dist: numpy>=2
 Requires-Dist: plopp>=26.2.0
 Requires-Dist: pythreejs>=2.4.1
@@ -32,28 +32,28 @@ Requires-Dist: scippneutron>=26.3.0
 Requires-Dist: scippnexus>=23.12.0
 Requires-Dist: tof>=25.12.0
 Requires-Dist: ncrystal[cif]>=4.1.0
-Requires-Dist: spglib!=2.7
+Requires-Dist: spglib!=2.7,>=2.0.0
 Provides-Extra: test
 Requires-Dist: pandas>=2.1.2; extra == "test"
 Requires-Dist: pooch>=1.5; extra == "test"
 Requires-Dist: pytest>=7.0; extra == "test"
 Requires-Dist: ipywidgets>=8.1.7; extra == "test"
 Provides-Extra: docs
-Requires-Dist: autodoc-pydantic; extra == "docs"
-Requires-Dist: ipykernel; extra == "docs"
-Requires-Dist: ipympl; extra == "docs"
-Requires-Dist: ipython!=8.7.0; extra == "docs"
-Requires-Dist: myst-parser; extra == "docs"
-Requires-Dist: nbsphinx; extra == "docs"
-Requires-Dist: pandas; extra == "docs"
-Requires-Dist: pooch; extra == "docs"
+Requires-Dist: autodoc-pydantic>=2.0.0; extra == "docs"
+Requires-Dist: ipykernel>=6.20.0; extra == "docs"
+Requires-Dist: ipympl>=0.9.0; extra == "docs"
+Requires-Dist: ipython!=8.7.0,>=8.8.0; extra == "docs"
+Requires-Dist: myst-parser>=2.0.0; extra == "docs"
+Requires-Dist: nbsphinx>=0.9.3; extra == "docs"
+Requires-Dist: pandas>=2.1.2; extra == "docs"
+Requires-Dist: pooch>=1.5; extra == "docs"
 Requires-Dist: pydata-sphinx-theme>=0.14; extra == "docs"
-Requires-Dist: sphinx; extra == "docs"
-Requires-Dist: sphinx-autodoc-typehints; extra == "docs"
-Requires-Dist: sphinx-copybutton; extra == "docs"
-Requires-Dist: sphinx-design; extra == "docs"
-Requires-Dist: sphinxcontrib-bibtex; extra == "docs"
-Requires-Dist: pyarrow; extra == "docs"
+Requires-Dist: sphinx>=7; extra == "docs"
+Requires-Dist: sphinx-autodoc-typehints>=1.24.0; extra == "docs"
+Requires-Dist: sphinx-copybutton>=0.5.2; extra == "docs"
+Requires-Dist: sphinx-design>=0.5.0; extra == "docs"
+Requires-Dist: sphinxcontrib-bibtex>=2.5.0; extra == "docs"
+Requires-Dist: pyarrow>=12.0.0; extra == "docs"
 Dynamic: license-file
 
 [![Contributor Covenant](https://img.shields.io/badge/Contributor%20Covenant-2.1-4baaaa.svg)](CODE_OF_CONDUCT.md)

essdiffraction-26.6.0/src/essdiffraction.egg-info/requires.txt

@@ -0,0 +1,36 @@
+dask>=2022.1.0
+essreduce>=26.6.0
+graphviz>=0.20
+numpy>=2
+plopp>=26.2.0
+pythreejs>=2.4.1
+sciline>=25.04.1
+scipp>=25.11.0
+scippneutron>=26.3.0
+scippnexus>=23.12.0
+tof>=25.12.0
+ncrystal[cif]>=4.1.0
+spglib!=2.7,>=2.0.0
+
+[docs]
+autodoc-pydantic>=2.0.0
+ipykernel>=6.20.0
+ipympl>=0.9.0
+ipython!=8.7.0,>=8.8.0
+myst-parser>=2.0.0
+nbsphinx>=0.9.3
+pandas>=2.1.2
+pooch>=1.5
+pydata-sphinx-theme>=0.14
+sphinx>=7
+sphinx-autodoc-typehints>=1.24.0
+sphinx-copybutton>=0.5.2
+sphinx-design>=0.5.0
+sphinxcontrib-bibtex>=2.5.0
+pyarrow>=12.0.0
+
+[test]
+pandas>=2.1.2
+pooch>=1.5
+pytest>=7.0
+ipywidgets>=8.1.7

{essdiffraction-26.5.2 → essdiffraction-26.6.0}/tests/dream/geant4_reduction_test.py

@@ -28,7 +28,6 @@ from ess.powder.types import (
     IntensityDspacingTwoTheta,
     IntensityTof,
     KeepEvents,
-    LookupTable,
     LookupTableFilename,
     MonitorFilename,
     NeXusDetectorName,
@@ -42,10 +41,14 @@ from ess.powder.types import (
     WavelengthMask,
 )
 from scippneutron import metadata
+from scippnexus import NXsource
 
 from ess.reduce import unwrap
 from ess.reduce import workflow as reduce_workflow
-from ess.reduce.nexus.types import AnyRun
+from ess.reduce.nexus.types import AnyRun, Position
+
+PARAMETRIZATION = ("detector_name", ["mantle", "endcap_backward", "endcap_forward"])
+
 
 params = {
     Filename[SampleRun]: dream.data.simulated_diamond_sample(small=True),
@@ -55,6 +58,7 @@ params = {
     MonitorFilename[VanadiumRun]: dream.data.simulated_monitor_vanadium_sample(),
     MonitorFilename[EmptyCanRun]: dream.data.simulated_monitor_empty_can(),
     dream.InstrumentConfiguration: dream.beamline.InstrumentConfiguration.high_flux_BC215,  # noqa: E501
+    Position[NXsource, AnyRun]: sc.vector(value=[0, 0, -76.55], unit="m"),
     CalibrationFilename: None,
     UncertaintyBroadcastMode: UncertaintyBroadcastMode.drop,
     DspacingBins: sc.linspace('dspacing', 0.0, 2.3434, 201, unit='angstrom'),
@@ -74,32 +78,32 @@ params = {
 }
 
 
-@pytest.fixture(params=["mantle", "endcap_backward", "endcap_forward"])
-def params_for_det(request):
-    # Not available in simulated data
-    return {**params, NeXusDetectorName: request.param}
-
-
-@pytest.fixture
-def workflow(params_for_det):
-    return make_workflow(params_for_det, run_norm=powder.RunNormalization.proton_charge)
-
+def _make_workflow(
+    detector_name,
+    run_norm=powder.RunNormalization.proton_charge,
+    wavelength_from="file",
+):
+    wf = dream.DreamGeant4Workflow(run_norm=run_norm, wavelength_from=wavelength_from)
+    wf[NeXusDetectorName] = detector_name
 
-def make_workflow(params_for_det, *, run_norm):
-    wf = dream.DreamGeant4Workflow(run_norm=run_norm)
-    for key, value in params_for_det.items():
+    for key, value in params.items():
         wf[key] = value
     return wf
 
 
-def test_pipeline_can_compute_dspacing_result(workflow):
-    workflow = powder.with_pixel_mask_filenames(workflow, [])
+@pytest.mark.parametrize(*PARAMETRIZATION)
+def test_pipeline_can_compute_dspacing_result(detector_name):
+    workflow = powder.with_pixel_mask_filenames(
+        _make_workflow(detector_name=detector_name), []
+    )
     result = workflow.compute(EmptyCanSubtractedIofDspacing)
     assert result.sizes == {'dspacing': len(params[DspacingBins]) - 1}
     assert sc.identical(result.coords['dspacing'], params[DspacingBins])
 
 
-def test_pipeline_can_compute_dspacing_result_without_empty_can(workflow):
+@pytest.mark.parametrize(*PARAMETRIZATION)
+def test_pipeline_can_compute_dspacing_result_without_empty_can(detector_name):
+    workflow = _make_workflow(detector_name=detector_name)
     workflow[Filename[EmptyCanRun]] = None
     workflow[MonitorFilename[EmptyCanRun]] = None
     workflow = powder.with_pixel_mask_filenames(workflow, [])
@@ -108,66 +112,39 @@ def test_pipeline_can_compute_dspacing_result_without_empty_can(workflow):
     assert sc.identical(result.coords['dspacing'], params[DspacingBins])
 
 
-def test_pipeline_can_compute_dspacing_result_using_lookup_table_filename(workflow):
-    workflow = powder.with_pixel_mask_filenames(workflow, [])
-    workflow[LookupTableFilename] = dream.data.lookup_table_high_flux()
-    result = workflow.compute(EmptyCanSubtractedIofDspacing)
-    assert result.sizes == {'dspacing': len(params[DspacingBins]) - 1}
-    assert sc.identical(result.coords['dspacing'], params[DspacingBins])
-
-
-@pytest.fixture(scope="module")
-def dream_lookup_table():
-    lut_wf = unwrap.LookupTableWorkflow()
-    lut_wf[unwrap.DiskChoppers[AnyRun]] = dream.beamline.choppers(
-        dream.beamline.InstrumentConfiguration.high_flux_BC215
-    )
-    lut_wf[unwrap.SourcePosition] = sc.vector(value=[0, 0, -76.55], unit="m")
-    lut_wf[unwrap.NumberOfSimulatedNeutrons] = 500_000
-    lut_wf[unwrap.SimulationSeed] = 555
-    lut_wf[unwrap.PulseStride] = 1
-    lut_wf[unwrap.LtotalRange] = (
-        sc.scalar(60.0, unit="m"),
-        sc.scalar(80.0, unit="m"),
-    )
-    lut_wf[unwrap.DistanceResolution] = sc.scalar(0.1, unit="m")
-    lut_wf[unwrap.TimeResolution] = sc.scalar(250.0, unit='us')
-    return lut_wf.compute(unwrap.LookupTable)
-
-
-def test_pipeline_can_compute_dspacing_result_using_custom_built_tof_lookup(
-    workflow, dream_lookup_table
+@pytest.mark.parametrize(*PARAMETRIZATION)
+@pytest.mark.parametrize("lut_mode", ["file", "simulation", "analytical"])
+def test_pipeline_can_compute_dspacing_result_different_lookup_tables(
+    detector_name,
+    lut_mode,
 ):
-    workflow = powder.with_pixel_mask_filenames(workflow, [])
-    workflow[LookupTable] = dream_lookup_table
+    workflow = _make_workflow(detector_name=detector_name, wavelength_from=lut_mode)
+
+    if lut_mode == "file":
+        workflow[LookupTableFilename] = dream.data.lookup_table_high_flux()
+    else:
+        workflow[unwrap.DiskChoppers] = dream.beamline.choppers(
+            dream.beamline.InstrumentConfiguration.high_flux_BC215
+        )
+        workflow[unwrap.DistanceResolution] = sc.scalar(0.1, unit="m")
+        workflow[unwrap.TimeResolution] = sc.scalar(250.0, unit='us')
+        if lut_mode == "simulation":
+            workflow[unwrap.NumberOfSimulatedNeutrons] = 200_000
+            workflow[unwrap.SimulationSeed] = 555
 
-    result = workflow.compute(IntensityDspacing[SampleRun])
-    assert result.sizes == {'dspacing': len(params[DspacingBins]) - 1}
-    assert sc.identical(result.coords['dspacing'], params[DspacingBins])
-
-
-@pytest.mark.parametrize("keep_events", [True, False])
-def test_pipeline_can_compute_dspacing_result_with_hist_monitor_norm(
-    params_for_det, keep_events: bool
-):
-    workflow = make_workflow(
-        params_for_det, run_norm=powder.RunNormalization.monitor_histogram
-    )
-    workflow[KeepEvents[SampleRun]] = KeepEvents[SampleRun](keep_events)
-    workflow[KeepEvents[VanadiumRun]] = KeepEvents[VanadiumRun](keep_events)
     workflow = powder.with_pixel_mask_filenames(workflow, [])
-    result = workflow.compute(IntensityDspacing[SampleRun])
+    result = workflow.compute(EmptyCanSubtractedIofDspacing)
     assert result.sizes == {'dspacing': len(params[DspacingBins]) - 1}
     assert sc.identical(result.coords['dspacing'], params[DspacingBins])
 
 
+@pytest.mark.parametrize(*PARAMETRIZATION)
 @pytest.mark.parametrize("keep_events", [True, False])
-def test_pipeline_can_compute_dspacing_result_with_integrated_monitor_norm(
-    params_for_det, keep_events: bool
+@pytest.mark.parametrize("norm", ["monitor_histogram", "monitor_integrated"])
+def test_pipeline_can_compute_dspacing_result_with_different_norm(
+    detector_name, keep_events: bool, norm: str
 ):
-    workflow = make_workflow(
-        params_for_det, run_norm=powder.RunNormalization.monitor_integrated
-    )
+    workflow = _make_workflow(detector_name=detector_name, run_norm=norm)
     workflow[KeepEvents[SampleRun]] = KeepEvents[SampleRun](keep_events)
     workflow[KeepEvents[VanadiumRun]] = KeepEvents[VanadiumRun](keep_events)
     workflow = powder.with_pixel_mask_filenames(workflow, [])
@@ -176,13 +153,13 @@ def test_pipeline_can_compute_dspacing_result_with_integrated_monitor_norm(
     assert sc.identical(result.coords['dspacing'], params[DspacingBins])
 
 
-def test_pipeline_normalizes_and_subtracts_empty_can_as_expected(
-    workflow: sciline.Pipeline,
-) -> None:
+@pytest.mark.parametrize(*PARAMETRIZATION)
+def test_pipeline_normalizes_and_subtracts_empty_can_as_expected(detector_name) -> None:
     sample = sc.data.binned_x(13, 3)
     vanadium = sc.data.binned_x(16, 3)
     empty_can = sc.data.binned_x(9, 3)
 
+    workflow = _make_workflow(detector_name=detector_name)
     workflow[FocussedDataDspacing[SampleRun]] = sample
     workflow[FocussedDataDspacing[VanadiumRun]] = vanadium
     workflow[FocussedDataDspacing[EmptyCanRun]] = empty_can
@@ -199,8 +176,11 @@ def test_pipeline_normalizes_and_subtracts_empty_can_as_expected(
     sc.testing.assert_allclose(result, expected)
 
 
-def test_workflow_is_deterministic(workflow):
-    workflow = powder.with_pixel_mask_filenames(workflow, [])
+@pytest.mark.parametrize(*PARAMETRIZATION)
+def test_workflow_is_deterministic(detector_name):
+    workflow = powder.with_pixel_mask_filenames(
+        _make_workflow(detector_name=detector_name), []
+    )
     # This is Sciline's default scheduler, but we want to be explicit here
     scheduler = sciline.scheduler.DaskScheduler()
     graph = workflow.get(IntensityTof, scheduler=scheduler)
@@ -209,8 +189,11 @@ def test_workflow_is_deterministic(workflow):
     assert sc.identical(sc.values(result), sc.values(reference))
 
 
-def test_pipeline_can_compute_intermediate_results(workflow):
-    workflow = powder.with_pixel_mask_filenames(workflow, [])
+@pytest.mark.parametrize(*PARAMETRIZATION)
+def test_pipeline_can_compute_intermediate_results(detector_name):
+    workflow = powder.with_pixel_mask_filenames(
+        _make_workflow(detector_name=detector_name), []
+    )
     results = workflow.compute((CorrectedDetector[SampleRun], NeXusDetectorName))
     result = results[CorrectedDetector[SampleRun]]
 
@@ -222,10 +205,12 @@ def test_pipeline_can_compute_intermediate_results(workflow):
     assert expected_dims.issubset(set(result.dims))
 
 
-def test_pipeline_group_by_two_theta(workflow):
+@pytest.mark.parametrize(*PARAMETRIZATION)
+def test_pipeline_group_by_two_theta(detector_name):
     two_theta_bins = sc.linspace(
         dim='two_theta', unit='rad', start=0.8, stop=2.4, num=17
     )
+    workflow = _make_workflow(detector_name=detector_name)
     workflow[TwoThetaBins] = two_theta_bins
     workflow = powder.with_pixel_mask_filenames(workflow, [])
     result = workflow.compute(IntensityDspacingTwoTheta[SampleRun])
@@ -235,7 +220,9 @@ def test_pipeline_group_by_two_theta(workflow):
     assert sc.allclose(result.coords['two_theta'], two_theta_bins)
 
 
-def test_pipeline_wavelength_masking(workflow):
+@pytest.mark.parametrize(*PARAMETRIZATION)
+def test_pipeline_wavelength_masking(detector_name):
+    workflow = _make_workflow(detector_name=detector_name)
     wmin = sc.scalar(0.18, unit="angstrom")
     wmax = sc.scalar(0.21, unit="angstrom")
     workflow[WavelengthMask] = lambda x: (x > wmin) & (x < wmax)
@@ -253,7 +240,9 @@ def test_pipeline_wavelength_masking(workflow):
     )
 
 
-def test_pipeline_two_theta_masking(workflow):
+@pytest.mark.parametrize(*PARAMETRIZATION)
+def test_pipeline_two_theta_masking(detector_name):
+    workflow = _make_workflow(detector_name=detector_name)
     tmin = sc.scalar(1.0, unit="rad")
     tmax = sc.scalar(1.2, unit="rad")
     workflow[TwoThetaMask] = lambda x: (x > tmin) & (x < tmax)
@@ -269,8 +258,11 @@ def test_pipeline_two_theta_masking(workflow):
     )
 
 
-def test_pipeline_can_save_data(workflow):
-    workflow = powder.with_pixel_mask_filenames(workflow, [])
+@pytest.mark.parametrize(*PARAMETRIZATION)
+def test_pipeline_can_save_data(detector_name):
+    workflow = powder.with_pixel_mask_filenames(
+        _make_workflow(detector_name=detector_name), []
+    )
     result = workflow.compute(ReducedTofCIF)
 
     buffer = io.StringIO()
@@ -293,9 +285,8 @@ def test_pipeline_save_data_to_disk(output_folder: Path):
     to have enough signal: we thus use the large files instead of small, and use the
     mantle detector bank.
     """
-    wf = make_workflow(
-        {**params, NeXusDetectorName: "mantle"},
-        run_norm=powder.RunNormalization.proton_charge,
+    wf = _make_workflow(
+        detector_name="mantle", run_norm=powder.RunNormalization.proton_charge
     )
 
     wf[Filename[SampleRun]] = dream.data.simulated_diamond_sample(small=False)

essdiffraction-26.5.2/src/essdiffraction.egg-info/requires.txt

@@ -1,36 +0,0 @@
-dask>=2022.1.0
-essreduce>=26.4.0
-graphviz
-numpy>=2
-plopp>=26.2.0
-pythreejs>=2.4.1
-sciline>=25.04.1
-scipp>=25.11.0
-scippneutron>=26.3.0
-scippnexus>=23.12.0
-tof>=25.12.0
-ncrystal[cif]>=4.1.0
-spglib!=2.7
-
-[docs]
-autodoc-pydantic
-ipykernel
-ipympl
-ipython!=8.7.0
-myst-parser
-nbsphinx
-pandas
-pooch
-pydata-sphinx-theme>=0.14
-sphinx
-sphinx-autodoc-typehints
-sphinx-copybutton
-sphinx-design
-sphinxcontrib-bibtex
-pyarrow
-
-[test]
-pandas>=2.1.2
-pooch>=1.5
-pytest>=7.0
-ipywidgets>=8.1.7