Use scn.metadata models

Author: jl-wynen

src/ess/dream/io/cif.py

@@ -7,11 +7,24 @@
 from scippneutron.io import cif
 
 from ess.powder.calibration import OutputCalibrationData
-from ess.powder.types import CIFAuthors, IofTof, ReducedTofCIF
+from ess.powder.types import (
+    Beamline,
+    CIFAuthors,
+    IofTof,
+    ReducedTofCIF,
+    ReducerSoftwares,
+    Source,
+)
 
 
 def prepare_reduced_tof_cif(
-    da: IofTof, *, authors: CIFAuthors, calibration: OutputCalibrationData
+    da: IofTof,
+    *,
+    authors: CIFAuthors,
+    beamline: Beamline,
+    source: Source,
+    reducers: ReducerSoftwares,
+    calibration: OutputCalibrationData,
 ) -> ReducedTofCIF:
     """Construct a CIF builder with reduced data in d-spacing.
 
@@ -24,6 +37,12 @@ def prepare_reduced_tof_cif(
         Reduced 1d data with a ``'tof'`` dimension and coordinate.
     authors:
         List of authors to write to the file.
+    beamline:
+        Information about the beamline that the data was produced at.
+    source:
+        Information about the neutron source.
+    reducers:
+        List of software pieces used to reduce the data.
     calibration:
         Coefficients for conversion between d-spacing and final ToF.
         See :meth:`scippneutron.io.cif.CIF.with_powder_calibration`.
@@ -34,14 +53,12 @@ def prepare_reduced_tof_cif(
         An object that contains the reduced data and metadata.
         Us its ``save`` method to write the CIF file.
     """
-    from .. import __version__
-
     to_save = _prepare_data(da)
     return ReducedTofCIF(
         cif.CIF('reduced_tof')
-        .with_reducers(f'ess.dream v{__version__}')
+        .with_reducers(*(reducer.compact_repr for reducer in reducers))
         .with_authors(*authors)
-        .with_beamline(beamline='DREAM', facility='ESS')
+        .with_beamline(beamline, source)
         .with_powder_calibration(calibration.to_cif_format())
         .with_reduced_powder_data(to_save)
     )

src/ess/dream/io/geant4.py

@@ -5,8 +5,10 @@
 import sciline
 import scipp as sc
 import scippnexus as snx
+from scippneutron.metadata import ESS_SOURCE
 
 from ess.powder.types import (
+    Beamline,
     CalibratedDetector,
     CalibratedMonitor,
     CalibrationData,
@@ -23,6 +25,7 @@
     Position,
     RunType,
     SampleRun,
+    Source,
     VanadiumRun,
 )
 from ess.reduce.nexus.types import CalibratedBeamline
@@ -269,6 +272,18 @@ def dummy_sample_position() -> Position[snx.NXsample, RunType]:
     )
 
 
+def dream_beamline() -> Beamline:
+    return Beamline(
+        name="DREAM",
+        facility="ESS",
+        site="ESS",
+    )
+
+
+def ess_source() -> Source:
+    return ESS_SOURCE
+
+
 def LoadGeant4Workflow() -> sciline.Pipeline:
     """
     Workflow for loading NeXus data.
@@ -285,4 +300,6 @@ def LoadGeant4Workflow() -> sciline.Pipeline:
     wf.insert(dummy_assemble_monitor_data)
     wf.insert(dummy_source_position)
     wf.insert(dummy_sample_position)
+    wf.insert(dream_beamline)
+    wf.insert(ess_source)
     return wf

src/ess/dream/workflow.py

@@ -8,6 +8,7 @@
 import sciline
 import scipp as sc
 import scippnexus as snx
+from scippneutron.metadata import Software
 
 from ess.powder import providers as powder_providers
 from ess.powder import with_pixel_mask_filenames
@@ -20,6 +21,7 @@
     CaveMonitorPosition,  # Should this be a DREAM-only parameter?
     PixelMaskFilename,
     Position,
+    ReducerSoftwares,
     SampleRun,
     TofMask,
     TwoThetaMask,
@@ -50,14 +52,25 @@ def default_parameters() -> dict:
         Position[snx.NXsource, VanadiumRun]: source_position,
         AccumulatedProtonCharge[SampleRun]: charge,
         AccumulatedProtonCharge[VanadiumRun]: charge,
-        CIFAuthors: CIFAuthors([]),
         TofMask: None,
         WavelengthMask: None,
         TwoThetaMask: None,
         CaveMonitorPosition: sc.vector([0.0, 0.0, -4220.0], unit='mm'),
+        CIFAuthors: CIFAuthors([]),
+        ReducerSoftwares: _collect_reducer_software(),
     }
 
 
+def _collect_reducer_software() -> ReducerSoftwares:
+    return ReducerSoftwares(
+        [
+            Software.from_package_metadata('essdiffraction'),
+            Software.from_package_metadata('scippneutron'),
+            Software.from_package_metadata('scipp'),
+        ]
+    )
+
+
 def DreamGeant4Workflow(*, run_norm: RunNormalization) -> sciline.Pipeline:
     """
     Workflow with default parameters for the Dream Geant4 simulation.

src/ess/powder/types.py

@@ -14,6 +14,7 @@
 import sciline
 import scipp as sc
 from scippneutron.io import cif
+from scippneutron.metadata import Person, Software
 
 from ess.reduce.nexus import types as reduce_t
 from ess.reduce.uncertainty import UncertaintyBroadcastMode as _UncertaintyBroadcastMode
@@ -180,8 +181,16 @@ class RawDataAndMetadata(sciline.Scope[RunType, sc.DataGroup], sc.DataGroup):
 WavelengthMask = NewType("WavelengthMask", Callable | None)
 """WavelengthMask is a callable that returns a mask for a given WavelengthData."""
 
+Beamline = reduce_t.Beamline
+"""Beamline metadata."""
 
-CIFAuthors = NewType('CIFAuthors', list[cif.Author])
+ReducerSoftwares = NewType('ReducerSoftware', list[Software])
+"""Pieces of software used to reduce the data."""
+
+Source = reduce_t.Source
+"""Neutron source metadata."""
+
+CIFAuthors = NewType('CIFAuthors', list[Person])
 """List of authors to save to output CIF files."""
 
 ReducedTofCIF = NewType('ReducedTofCIF', cif.CIF)