Merge pull request #136 from scipp/instr-config-for-lookup

Use instrument configuration to find time-of-flight lookup table

Author: nvaytet

docs/user-guide/dream/dream-data-reduction.ipynb

@@ -76,8 +76,8 @@
     "workflow[WavelengthMask] = None\n",
     "# No pixel masks\n",
     "workflow = powder.with_pixel_mask_filenames(workflow, [])\n",
-    "# Time-of-flight lookup table\n",
-    "workflow[TimeOfFlightLookupTableFilename] = dream.data.tof_lookup_table_high_flux()"
+    "# Select instrument chopper configuration\n",
+    "workflow[dream.InstrumentConfiguration] = dream.InstrumentConfiguration.high_flux"
    ]
   },
   {
@@ -303,7 +303,7 @@
     "workflow[TwoThetaMask] = None\n",
     "workflow[WavelengthMask] = None\n",
     "workflow = powder.with_pixel_mask_filenames(workflow, [])\n",
-    "workflow[TimeOfFlightLookupTableFilename] = dream.data.tof_lookup_table_high_flux()"
+    "workflow[dream.InstrumentConfiguration] = dream.InstrumentConfiguration.high_flux"
    ]
   },
   {

docs/user-guide/dream/workflow-widget-dream.ipynb

@@ -47,8 +47,9 @@
    },
    "outputs": [],
    "source": [
-    "from ess.powder.types import DspacingBins, Filename, SampleRun, TimeOfFlightLookupTableFilename, VanadiumRun\n",
+    "from ess.powder.types import DspacingBins, Filename, SampleRun, VanadiumRun\n",
     "import ess.dream.data  # noqa: F401\n",
+    "from ess.dream import InstrumentConfiguration\n",
     "\n",
     "select = widget.children[0].children[0]\n",
     "keys, values = zip(*select.options, strict=True)\n",
@@ -66,7 +67,7 @@
     "# Set parameters\n",
     "pbox._input_widgets[Filename[SampleRun]].children[0].value = dream.data.simulated_diamond_sample()\n",
     "pbox._input_widgets[Filename[VanadiumRun]].children[0].value = dream.data.simulated_vanadium_sample()\n",
-    "pbox._input_widgets[TimeOfFlightLookupTableFilename].children[0].value = dream.data.tof_lookup_table_high_flux()\n",
+    "pbox._input_widgets[InstrumentConfiguration].value = InstrumentConfiguration.high_flux\n",
     "pbox._input_widgets[DspacingBins].fields[\"stop\"].value = 2.3434\n",
     "# Run the workflow\n",
     "rbox = wfw.result_box\n",

src/ess/dream/__init__.py

@@ -7,7 +7,7 @@
 
 import importlib.metadata
 
-from . import beamline
+from .beamline import InstrumentConfiguration
 from .instrument_view import instrument_view
 from .io import load_geant4_csv, nexus
 from .workflow import DreamGeant4Workflow, default_parameters
@@ -21,8 +21,8 @@
 
 __all__ = [
     'DreamGeant4Workflow',
+    'InstrumentConfiguration',
     '__version__',
-    'beamline',
     'default_parameters',
     'instrument_view',
     'load_geant4_csv',

src/ess/dream/parameters.py

@@ -16,7 +16,6 @@
     PixelMaskFilename,
     ReducedTofCIF,
     SampleRun,
-    TimeOfFlightLookupTableFilename,
     UncertaintyBroadcastMode,
     VanadiumRun,
 )
@@ -29,6 +28,8 @@
     parameter_registry,
 )
 
+from .beamline import InstrumentConfiguration
+
 parameter_registry[Filename[SampleRun]] = FilenameParameter.from_type(
     Filename[SampleRun]
 )
@@ -41,8 +42,8 @@
 parameter_registry[CalibrationFilename] = FilenameParameter.from_type(
     CalibrationFilename
 )
-parameter_registry[TimeOfFlightLookupTableFilename] = FilenameParameter.from_type(
-    TimeOfFlightLookupTableFilename
+parameter_registry[InstrumentConfiguration] = ParamWithOptions.from_enum(
+    InstrumentConfiguration, default=InstrumentConfiguration.high_flux
 )
 parameter_registry[MonitorFilename[SampleRun]] = FilenameParameter.from_type(
     MonitorFilename[SampleRun]

src/ess/dream/workflow.py

@@ -23,6 +23,7 @@
     Position,
     ReducerSoftwares,
     SampleRun,
+    TimeOfFlightLookupTableFilename,
     TofMask,
     TwoThetaMask,
     VanadiumRun,
@@ -32,11 +33,30 @@
 from ess.reduce.parameter import parameter_mappers
 from ess.reduce.workflow import register_workflow
 
+from .beamline import InstrumentConfiguration
 from .io.cif import CIFAuthors, prepare_reduced_tof_cif
 from .io.geant4 import LoadGeant4Workflow
 from .parameters import typical_outputs
 
-_dream_providers = (prepare_reduced_tof_cif,)
+
+def _get_lookup_table_filename_from_configuration(
+    configuration: InstrumentConfiguration,
+) -> TimeOfFlightLookupTableFilename:
+    from .data import tof_lookup_table_high_flux
+
+    match configuration:
+        case InstrumentConfiguration.high_flux:
+            out = tof_lookup_table_high_flux()
+        case InstrumentConfiguration.high_resolution:
+            raise NotImplementedError("High resolution configuration not yet supported")
+
+    return TimeOfFlightLookupTableFilename(out)
+
+
+_dream_providers = (
+    prepare_reduced_tof_cif,
+    _get_lookup_table_filename_from_configuration,
+)
 
 parameter_mappers[PixelMaskFilename] = with_pixel_mask_filenames
 

tests/dream/geant4_reduction_test.py

@@ -64,7 +64,7 @@
     MonitorFilename[SampleRun]: dream.data.simulated_monitor_diamond_sample(),
     MonitorFilename[VanadiumRun]: dream.data.simulated_monitor_vanadium_sample(),
     MonitorFilename[BackgroundRun]: dream.data.simulated_monitor_empty_can(),
-    TimeOfFlightLookupTableFilename: dream.data.tof_lookup_table_high_flux(),
+    dream.InstrumentConfiguration: dream.beamline.InstrumentConfiguration.high_flux,
     CalibrationFilename: None,
     UncertaintyBroadcastMode: UncertaintyBroadcastMode.drop,
     DspacingBins: sc.linspace('dspacing', 0.0, 2.3434, 201, unit='angstrom'),
@@ -117,6 +117,14 @@ def test_pipeline_can_compute_dspacing_result(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[TimeOfFlightLookupTableFilename] = dream.data.tof_lookup_table_high_flux()
+    result = workflow.compute(IofDspacing)
+    assert result.sizes == {'dspacing': len(params[DspacingBins]) - 1}
+    assert sc.identical(result.coords['dspacing'], params[DspacingBins])
+
+
 @pytest.fixture(scope="module")
 def simulation_dream_choppers():
     return time_of_flight.simulate_beamline(