Merge pull request #185 from scipp/reorganise-workflows

Reorganise Dream reduction workflows

Author: nvaytet

src/ess/dream/__init__.py

@@ -9,8 +9,15 @@
 
 from .beamline import InstrumentConfiguration
 from .instrument_view import instrument_view
-from .io import load_geant4_csv, nexus
-from .workflow import DreamGeant4Workflow, default_parameters
+from .io import load_geant4_csv
+from .workflows import (
+    DreamGeant4MonitorHistogramWorkflow,
+    DreamGeant4MonitorIntegratedWorkflow,
+    DreamGeant4ProtonChargeWorkflow,
+    DreamGeant4Workflow,
+    DreamPowderWorkflow,
+    DreamWorkflow,
+)
 
 try:
     __version__ = importlib.metadata.version("essdiffraction")
@@ -20,11 +27,14 @@
 del importlib
 
 __all__ = [
+    'DreamGeant4MonitorHistogramWorkflow',
+    'DreamGeant4MonitorIntegratedWorkflow',
+    'DreamGeant4ProtonChargeWorkflow',
     'DreamGeant4Workflow',
+    'DreamPowderWorkflow',
+    'DreamWorkflow',
     'InstrumentConfiguration',
     '__version__',
-    'default_parameters',
     'instrument_view',
     'load_geant4_csv',
-    'nexus',
 ]

src/ess/dream/io/__init__.py

@@ -3,10 +3,9 @@
 
 """Input/output for DREAM."""
 
-from . import nexus
 from .cif import prepare_reduced_tof_cif
 from .geant4 import load_geant4_csv
 
 providers = (prepare_reduced_tof_cif,)
 
-__all__ = ["load_geant4_csv", "nexus", "prepare_reduced_tof_cif", "providers"]
+__all__ = ["load_geant4_csv", "prepare_reduced_tof_cif", "providers"]

src/ess/dream/io/geant4.py

@@ -17,7 +17,6 @@
     CaveMonitor,
     CaveMonitorPosition,
     DetectorData,
-    EmptyCanRun,
     Filename,
     MonitorData,
     MonitorFilename,
@@ -26,11 +25,8 @@
     NeXusDetectorName,
     Position,
     RunType,
-    SampleRun,
     Source,
-    VanadiumRun,
 )
-from ess.reduce.time_of_flight.workflow import GenericTofWorkflow
 
 MANTLE_DETECTOR_ID = sc.index(7)
 HIGH_RES_DETECTOR_ID = sc.index(8)
@@ -316,22 +312,16 @@ def ess_source() -> Source:
     return ESS_SOURCE
 
 
-def LoadGeant4Workflow() -> sciline.Pipeline:
-    """
-    Workflow for loading NeXus data.
-    """
-    wf = GenericTofWorkflow(
-        run_types=[SampleRun, VanadiumRun, EmptyCanRun], monitor_types=[CaveMonitor]
-    )
-    wf.insert(extract_geant4_detector)
-    wf.insert(load_geant4_csv)
-    wf.insert(load_mcstas_monitor)
-    wf.insert(geant4_load_calibration)
-    wf.insert(get_calibrated_geant4_detector)
-    wf.insert(assemble_detector_data)
-    wf.insert(assemble_monitor_data)
-    wf.insert(dummy_source_position)
-    wf.insert(dummy_sample_position)
-    wf.insert(dream_beamline)
-    wf.insert(ess_source)
-    return wf
+providers = (
+    load_geant4_csv,
+    extract_geant4_detector,
+    get_calibrated_geant4_detector,
+    assemble_detector_data,
+    assemble_monitor_data,
+    load_mcstas_monitor,
+    geant4_load_calibration,
+    dummy_source_position,
+    dummy_sample_position,
+    dream_beamline,
+    ess_source,
+)

src/ess/dream/io/nexus.py

@@ -1,7 +1,5 @@
 # SPDX-License-Identifier: BSD-3-Clause
-# Copyright (c) 2024 Scipp contributors (https://github.com/scipp)
-
-from __future__ import annotations
+# Copyright (c) 2025 Scipp contributors (https://github.com/scipp)
 
 import itertools
 
@@ -12,12 +10,10 @@
 
 from ess.powder import providers as powder_providers
 from ess.powder import with_pixel_mask_filenames
-from ess.powder.correction import (
-    RunNormalization,
-    insert_run_normalization,
-)
+from ess.powder.correction import RunNormalization, insert_run_normalization
 from ess.powder.types import (
     AccumulatedProtonCharge,
+    BunkerMonitor,
     CaveMonitor,
     CaveMonitorPosition,  # Should this be a DREAM-only parameter?
     EmptyCanRun,
@@ -32,8 +28,7 @@
     VanadiumRun,
     WavelengthMask,
 )
-from ess.reduce import time_of_flight
-from ess.reduce.nexus.types import NeXusName
+from ess.reduce.nexus.types import DetectorBankSizes, NeXusName
 from ess.reduce.parameter import parameter_mappers
 from ess.reduce.time_of_flight import GenericTofWorkflow
 from ess.reduce.workflow import register_workflow
@@ -44,9 +39,35 @@
     prepare_reduced_empty_can_subtracted_tof_cif,
     prepare_reduced_tof_cif,
 )
-from .io.geant4 import LoadGeant4Workflow
+from .io.geant4 import providers as geant4_providers
 from .parameters import typical_outputs
 
+DETECTOR_BANK_SIZES = {
+    "endcap_backward_detector": {
+        "strip": 16,
+        "wire": 16,
+        "module": 11,
+        "segment": 28,
+        "counter": 2,
+    },
+    "endcap_forward_detector": {
+        "strip": 16,
+        "wire": 16,
+        "module": 5,
+        "segment": 28,
+        "counter": 2,
+    },
+    "mantle_detector": {
+        "wire": 32,
+        "module": 5,
+        "segment": 6,
+        "strip": 256,
+        "counter": 2,
+    },
+    "high_resolution_detector": {"strip": 32, "other": -1},
+    "sans_detector": {"strip": 32, "other": -1},
+}
+
 
 def _get_lookup_table_filename_from_configuration(
     configuration: InstrumentConfiguration,
@@ -64,52 +85,58 @@ def _get_lookup_table_filename_from_configuration(
     return TimeOfFlightLookupTableFilename(out)
 
 
-_dream_providers = (
+def _collect_reducer_software() -> ReducerSoftware:
+    return ReducerSoftware(
+        [
+            Software.from_package_metadata('essdiffraction'),
+            Software.from_package_metadata('scippneutron'),
+            Software.from_package_metadata('scipp'),
+        ]
+    )
+
+
+def DreamWorkflow() -> sciline.Pipeline:
+    """
+    Dream generic workflow with default parameters.
+    The workflow is based on the GenericTofWorkflow.
+    It can load data from a NeXus file recorded on the DREAM instrument, and can
+    compute time-of-flight for the neutron events.
+
+    It can be used as is, or as a base for more specific workflows, such as
+    ``DreamPowderWorkflow``.
+    """
+    wf = GenericTofWorkflow(
+        run_types=[SampleRun, VanadiumRun, EmptyCanRun],
+        monitor_types=[BunkerMonitor, CaveMonitor],
+    )
+    wf[DetectorBankSizes] = DETECTOR_BANK_SIZES
+    wf[NeXusName[BunkerMonitor]] = "monitor_bunker"
+    wf[NeXusName[CaveMonitor]] = "monitor_cave"
+    wf.insert(_get_lookup_table_filename_from_configuration)
+    wf[ReducerSoftware] = _collect_reducer_software()
+    return wf
+
+
+_cif_providers = (
     prepare_reduced_tof_cif,
     prepare_reduced_empty_can_subtracted_tof_cif,
-    _get_lookup_table_filename_from_configuration,
 )
 
 parameter_mappers[PixelMaskFilename] = with_pixel_mask_filenames
 
 
 def default_parameters() -> dict:
-    # Quantities not available in the simulated data
-    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 {
         KeepEvents[SampleRun]: KeepEvents[SampleRun](True),
         KeepEvents[VanadiumRun]: KeepEvents[VanadiumRun](False),
         KeepEvents[EmptyCanRun]: KeepEvents[EmptyCanRun](True),
-        Position[snx.NXsample, SampleRun]: sample_position,
-        Position[snx.NXsample, VanadiumRun]: sample_position,
-        Position[snx.NXsample, EmptyCanRun]: sample_position,
-        Position[snx.NXsource, SampleRun]: source_position,
-        Position[snx.NXsource, VanadiumRun]: source_position,
-        Position[snx.NXsource, EmptyCanRun]: source_position,
-        AccumulatedProtonCharge[SampleRun]: charge,
-        AccumulatedProtonCharge[VanadiumRun]: charge,
-        AccumulatedProtonCharge[EmptyCanRun]: charge,
         TofMask: None,
         WavelengthMask: None,
         TwoThetaMask: None,
-        CaveMonitorPosition: sc.vector([0.0, 0.0, -4220.0], unit='mm'),
         CIFAuthors: CIFAuthors([]),
-        ReducerSoftware: _collect_reducer_software(),
     }
 
 
-def _collect_reducer_software() -> ReducerSoftware:
-    return ReducerSoftware(
-        [
-            Software.from_package_metadata('essdiffraction'),
-            Software.from_package_metadata('scippneutron'),
-            Software.from_package_metadata('scipp'),
-        ]
-    )
-
-
 def DreamPowderWorkflow(*, run_norm: RunNormalization) -> sciline.Pipeline:
     """
     Dream powder workflow with default parameters.
@@ -124,14 +151,11 @@ def DreamPowderWorkflow(*, run_norm: RunNormalization) -> sciline.Pipeline:
     :
         A workflow object for DREAM.
     """
-    wf = GenericTofWorkflow(run_types=[SampleRun], monitor_types=[CaveMonitor])
-    for provider in itertools.chain(powder_providers, _dream_providers):
+    wf = DreamWorkflow()
+    for provider in itertools.chain(powder_providers, _cif_providers):
         wf.insert(provider)
-    wf[NeXusName[CaveMonitor]] = "monitor_cave"
     insert_run_normalization(wf, run_norm)
-    for key, value in itertools.chain(
-        default_parameters().items(), time_of_flight.default_parameters().items()
-    ):
+    for key, value in default_parameters().items():
         wf[key] = value
     wf.typical_outputs = typical_outputs
     return wf
@@ -151,14 +175,33 @@ def DreamGeant4Workflow(*, run_norm: RunNormalization) -> sciline.Pipeline:
     :
         A workflow object for DREAM.
     """
-    wf = LoadGeant4Workflow()
-    for provider in itertools.chain(powder_providers, _dream_providers):
+    wf = DreamWorkflow()
+    for provider in itertools.chain(geant4_providers, powder_providers, _cif_providers):
         wf.insert(provider)
     insert_run_normalization(wf, run_norm)
-    for key, value in itertools.chain(
-        default_parameters().items(), time_of_flight.default_parameters().items()
-    ):
+    for key, value in default_parameters().items():
+        wf[key] = value
+
+    # Quantities not available in the simulated data
+    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")
+
+    additional_parameters = {
+        Position[snx.NXsample, SampleRun]: sample_position,
+        Position[snx.NXsample, VanadiumRun]: sample_position,
+        Position[snx.NXsample, EmptyCanRun]: sample_position,
+        Position[snx.NXsource, SampleRun]: source_position,
+        Position[snx.NXsource, VanadiumRun]: source_position,
+        Position[snx.NXsource, EmptyCanRun]: source_position,
+        AccumulatedProtonCharge[SampleRun]: charge,
+        AccumulatedProtonCharge[VanadiumRun]: charge,
+        AccumulatedProtonCharge[EmptyCanRun]: charge,
+        CaveMonitorPosition: sc.vector([0.0, 0.0, -4220.0], unit='mm'),
+    }
+    for key, value in additional_parameters.items():
         wf[key] = value
+
     wf.typical_outputs = typical_outputs
     return wf
 
@@ -195,5 +238,7 @@ def DreamGeant4ProtonChargeWorkflow() -> sciline.Pipeline:
     'DreamGeant4MonitorIntegratedWorkflow',
     'DreamGeant4ProtonChargeWorkflow',
     'DreamGeant4Workflow',
+    'DreamPowderWorkflow',
+    'DreamWorkflow',
     'default_parameters',
 ]