Update for restructured NeXus base workflow from ess.reduce.nexus

Author: SimonHeybrock

src/ess/dream/io/geant4.py

@@ -4,19 +4,20 @@
 import numpy as np
 import sciline
 import scipp as sc
+import scippnexus as snx
 
 from ess.powder.types import (
     CalibratedDetector,
     CalibrationData,
     CalibrationFilename,
     DetectorData,
     Filename,
-    NeXusDetector,
+    NeXusComponent,
     NeXusDetectorName,
-    NeXusSample,
-    NeXusSource,
+    Position,
     RunType,
 )
+from ess.reduce.nexus.types import CalibratedBeamline
 from ess.reduce.nexus.workflow import GenericNeXusWorkflow
 
 MANTLE_DETECTOR_ID = sc.index(7)
@@ -60,9 +61,23 @@ def load_geant4_csv(file_path: Filename[RunType]) -> AllRawDetectors[RunType]:
 
 def extract_geant4_detector(
     detectors: AllRawDetectors[RunType], detector_name: NeXusDetectorName
-) -> NeXusDetector[RunType]:
+) -> NeXusComponent[snx.NXdetector, RunType]:
     """Extract a single detector from a loaded GEANT4 simulation."""
-    return NeXusDetector[RunType](detectors["instrument"][detector_name])
+    return NeXusComponent[snx.NXdetector, RunType](
+        detectors["instrument"][detector_name]
+    )
+
+
+def get_calibrated_geant4_detector(
+    detector: NeXusComponent[snx.NXdetector, RunType],
+) -> CalibratedDetector[RunType]:
+    """
+    Replacement for :py:func:`ess.reduce.nexus.workflow.get_calibrated_detector`.
+
+    Since the Geant4 detectors already have computed positions as well as logical shape,
+    this just extracts the relevant event data.
+    """
+    return detector['events'].copy(deep=False)
 
 
 def _load_raw_events(file_path: str) -> sc.DataArray:
@@ -171,21 +186,21 @@ def geant4_load_calibration(filename: CalibrationFilename) -> CalibrationData:
 
 
 def dummy_assemble_detector_data(
-    detector: CalibratedDetector[RunType],
+    detector: CalibratedBeamline[RunType],
 ) -> DetectorData[RunType]:
     """Dummy assembly of detector data, detector already contains neutron data."""
     return DetectorData[RunType](detector)
 
 
-def dummy_source() -> NeXusSource[RunType]:
-    return NeXusSource[RunType](
-        sc.DataGroup(position=sc.vector([np.nan, np.nan, np.nan], unit="mm"))
+def dummy_source_position() -> Position[snx.NXsource, RunType]:
+    return Position[snx.NXsource, RunType](
+        sc.vector([np.nan, np.nan, np.nan], unit="mm")
     )
 
 
-def dummy_sample() -> NeXusSample[RunType]:
-    return NeXusSample[RunType](
-        sc.DataGroup(position=sc.vector([np.nan, np.nan, np.nan], unit="mm"))
+def dummy_sample_position() -> Position[snx.NXsample, RunType]:
+    return Position[snx.NXsample, RunType](
+        sc.vector([np.nan, np.nan, np.nan], unit="mm")
     )
 
 
@@ -197,7 +212,8 @@ def LoadGeant4Workflow() -> sciline.Pipeline:
     wf.insert(extract_geant4_detector)
     wf.insert(load_geant4_csv)
     wf.insert(geant4_load_calibration)
+    wf.insert(get_calibrated_geant4_detector)
     wf.insert(dummy_assemble_detector_data)
-    wf.insert(dummy_source)
-    wf.insert(dummy_sample)
+    wf.insert(dummy_source_position)
+    wf.insert(dummy_sample_position)
     return wf

src/ess/dream/workflow.py

@@ -5,12 +5,12 @@
 
 import sciline
 import scipp as sc
+import scippnexus as snx
 
 from ess.powder import providers as powder_providers
 from ess.powder.types import (
     AccumulatedProtonCharge,
-    NeXusSample,
-    NeXusSource,
+    Position,
     SampleRun,
     VanadiumRun,
 )
@@ -23,14 +23,14 @@
 
 def default_parameters() -> dict:
     # Quantities not available in the simulated data
-    sample = sc.DataGroup(position=sc.vector([0.0, 0.0, 0.0], unit="mm"))
-    source = sc.DataGroup(position=sc.vector([-3.478, 0.0, -76550], unit="mm"))
+    sample_position = sc.vector([0.0, 0.0, 0.0], unit="mm")
+    source_position = sc.vector([-3.478, 0.0, -76550], unit="mm")
     charge = sc.scalar(1.0, unit="µAh")
     return {
-        NeXusSample[SampleRun]: sample,
-        NeXusSample[VanadiumRun]: sample,
-        NeXusSource[SampleRun]: source,
-        NeXusSource[VanadiumRun]: source,
+        Position[snx.NXsample, SampleRun]: sample_position,
+        Position[snx.NXsample, VanadiumRun]: sample_position,
+        Position[snx.NXsource, SampleRun]: source_position,
+        Position[snx.NXsource, VanadiumRun]: source_position,
         AccumulatedProtonCharge[SampleRun]: charge,
         AccumulatedProtonCharge[VanadiumRun]: charge,
         CIFAuthors: CIFAuthors([]),

src/ess/powder/types.py

@@ -29,15 +29,12 @@
 MonitorData = reduce_t.MonitorData
 MonitorPositionOffset = reduce_t.MonitorPositionOffset
 MonitorType = reduce_t.MonitorType
-NeXusMonitorName = reduce_t.NeXusMonitorName
-NeXusDetector = reduce_t.NeXusDetector
-NeXusMonitor = reduce_t.NeXusMonitor
-NeXusSample = reduce_t.NeXusSample
-NeXusSource = reduce_t.NeXusSource
+NeXusDetectorName = reduce_t.NeXusDetectorName
+NeXusMonitorName = reduce_t.NeXusName
+NeXusComponent = reduce_t.NeXusComponent
 RunType = reduce_t.RunType
 SampleRun = reduce_t.SampleRun
-SamplePosition = reduce_t.SamplePosition
-SourcePosition = reduce_t.SourcePosition
+Position = reduce_t.Position
 VanadiumRun = reduce_t.VanadiumRun
 
 DetectorBankSizes = reduce_t.DetectorBankSizes

tests/dream/geant4_reduction_test.py

@@ -7,6 +7,7 @@
 import sciline
 import scipp as sc
 import scipp.testing
+import scippnexus as snx
 from scippneutron.io.cif import Author
 
 import ess.dream.data  # noqa: F401
@@ -22,9 +23,8 @@
     IofDspacingTwoTheta,
     MaskedData,
     NeXusDetectorName,
-    NeXusSample,
-    NeXusSource,
     NormalizedByProtonCharge,
+    Position,
     ReducedDspacingCIF,
     SampleRun,
     TofMask,
@@ -35,8 +35,8 @@
     WavelengthMask,
 )
 
-sample = sc.DataGroup(position=sc.vector([0.0, 0.0, 0.0], unit='mm'))
-source = sc.DataGroup(position=sc.vector([-3.478, 0.0, -76550], unit='mm'))
+sample = sc.vector([0.0, 0.0, 0.0], unit='mm')
+source = sc.vector([-3.478, 0.0, -76550], unit='mm')
 charge = sc.scalar(1.0, unit='µAh')
 
 params = {
@@ -48,10 +48,10 @@
     DspacingBins: sc.linspace('dspacing', 0.0, 2.3434, 201, unit='angstrom'),
     TofMask: lambda x: (x < sc.scalar(0.0, unit='ns'))
     | (x > sc.scalar(86e6, unit='ns')),
-    NeXusSample[SampleRun]: sample,
-    NeXusSample[VanadiumRun]: sample,
-    NeXusSource[SampleRun]: source,
-    NeXusSource[VanadiumRun]: source,
+    Position[snx.NXsample, SampleRun]: sample,
+    Position[snx.NXsample, VanadiumRun]: sample,
+    Position[snx.NXsource, SampleRun]: source,
+    Position[snx.NXsource, VanadiumRun]: source,
     AccumulatedProtonCharge[SampleRun]: charge,
     AccumulatedProtonCharge[VanadiumRun]: charge,
     TwoThetaMask: None,

tests/dream/io/geant4_test.py

@@ -8,17 +8,11 @@
 import pytest
 import scipp as sc
 import scipp.testing
+import scippnexus as snx
 
 from ess.dream import data, load_geant4_csv
 from ess.dream.io.geant4 import LoadGeant4Workflow
-from ess.powder.types import (
-    Filename,
-    NeXusDetector,
-    NeXusDetectorName,
-    NeXusSample,
-    NeXusSource,
-    SampleRun,
-)
+from ess.powder.types import Filename, NeXusComponent, NeXusDetectorName, SampleRun
 
 
 @pytest.fixture(scope="module")
@@ -186,13 +180,13 @@ def test_geant4_in_pipeline(file_path, file):
     pipeline = LoadGeant4Workflow()
     pipeline[Filename[SampleRun]] = file_path
     pipeline[NeXusDetectorName] = NeXusDetectorName("mantle")
-    pipeline[NeXusSample[SampleRun]] = sc.DataGroup(
+    pipeline[NeXusComponent[snx.NXsample, SampleRun]] = sc.DataGroup(
         position=sc.vector([0.0, 0.0, 0.0], unit="mm")
     )
-    pipeline[NeXusSource[SampleRun]] = sc.DataGroup(
+    pipeline[NeXusComponent[snx.NXsource, SampleRun]] = sc.DataGroup(
         position=sc.vector([-3.478, 0.0, -76550], unit="mm")
     )
 
-    detector = pipeline.compute(NeXusDetector[SampleRun])['events']
+    detector = pipeline.compute(NeXusComponent[snx.NXdetector, SampleRun])['events']
     expected = load_geant4_csv(file)["instrument"]["mantle"]["events"]
     sc.testing.assert_identical(detector, expected)

tests/dream/io/nexus_test.py

@@ -13,9 +13,9 @@
     Filename,
     Monitor1,
     NeXusDetectorName,
-    NeXusMonitorName,
     SampleRun,
 )
+from ess.reduce.nexus.types import NeXusName as NeXusMonitorName
 
 bank_dims = {'wire', 'module', 'segment', 'strip', 'counter'}
 hr_sans_dims = {'strip', 'other'}