Merge pull request #273 from scipp/generic-metadata

jl-wynen · web-flow · commit af78c8ee52ba · 2025-11-03T10:55:59.000+01:00
Generic metadata models
diff --git a/docs/user-guide/tof/dream.ipynb b/docs/user-guide/tof/dream.ipynb
@@ -24,7 +24,7 @@
     "import plopp as pp\n",
     "import scipp as sc\n",
     "from scippneutron.chopper import DiskChopper\n",
-    "from ess.reduce.nexus.types import DetectorData, SampleRun\n",
+    "from ess.reduce.nexus.types import AnyRun, DetectorData, SampleRun\n",
     "from ess.reduce.time_of_flight import *"
    ]
   },
@@ -340,7 +340,7 @@
    "outputs": [],
    "source": [
     "lut_wf = TofLookupTableWorkflow()\n",
-    "lut_wf[DiskChoppers] = disk_choppers\n",
+    "lut_wf[DiskChoppers[AnyRun]] = disk_choppers\n",
     "lut_wf[SourcePosition] = source_position\n",
     "lut_wf[LtotalRange] = (\n",
     "    sc.scalar(75.5, unit=\"m\"),\n",
@@ -713,7 +713,7 @@
    "outputs": [],
    "source": [
     "# Update workflow\n",
-    "lut_wf[DiskChoppers] = disk_choppers\n",
+    "lut_wf[DiskChoppers[AnyRun]] = disk_choppers\n",
     "\n",
     "sim = lut_wf.compute(SimulationResults)\n",
     "\n",
diff --git a/docs/user-guide/tof/frame-unwrapping.ipynb b/docs/user-guide/tof/frame-unwrapping.ipynb
@@ -32,7 +32,7 @@
     "import plopp as pp\n",
     "import scipp as sc\n",
     "from scippneutron.chopper import DiskChopper\n",
-    "from ess.reduce.nexus.types import DetectorData, SampleRun\n",
+    "from ess.reduce.nexus.types import AnyRun, DetectorData, SampleRun\n",
     "from ess.reduce.time_of_flight import *\n",
     "import tof\n",
     "\n",
@@ -212,7 +212,7 @@
    "source": [
     "lut_wf = TofLookupTableWorkflow()\n",
     "lut_wf[LtotalRange] = detectors[0].distance, detectors[-1].distance\n",
-    "lut_wf[DiskChoppers] = {\n",
+    "lut_wf[DiskChoppers[AnyRun]] = {\n",
     "    \"chopper\": DiskChopper(\n",
     "        frequency=-chopper.frequency,\n",
     "        beam_position=sc.scalar(0.0, unit=\"deg\"),\n",
@@ -399,7 +399,7 @@
     "lut_wf = TofLookupTableWorkflow()\n",
     "lut_wf[PulseStride] = 2\n",
     "lut_wf[LtotalRange] = detectors[0].distance, detectors[-1].distance\n",
-    "lut_wf[DiskChoppers] = {\n",
+    "lut_wf[DiskChoppers[AnyRun]] = {\n",
     "    ch.name: DiskChopper(\n",
     "        frequency=-ch.frequency,\n",
     "        beam_position=sc.scalar(0.0, unit=\"deg\"),\n",
diff --git a/docs/user-guide/tof/wfm.ipynb b/docs/user-guide/tof/wfm.ipynb
@@ -25,7 +25,7 @@
     "import plopp as pp\n",
     "import scipp as sc\n",
     "from scippneutron.chopper import DiskChopper\n",
-    "from ess.reduce.nexus.types import DetectorData, SampleRun\n",
+    "from ess.reduce.nexus.types import AnyRun, DetectorData, SampleRun\n",
     "from ess.reduce.time_of_flight import *"
    ]
   },
@@ -361,7 +361,7 @@
    "outputs": [],
    "source": [
     "lut_wf = TofLookupTableWorkflow()\n",
-    "lut_wf[DiskChoppers] = disk_choppers\n",
+    "lut_wf[DiskChoppers[AnyRun]] = disk_choppers\n",
     "lut_wf[SourcePosition] = source_position\n",
     "lut_wf[LtotalRange] = Ltotal, Ltotal\n",
     "lut_wf[LookupTableRelativeErrorThreshold] = 0.1\n",
diff --git a/pyproject.toml b/pyproject.toml
@@ -30,7 +30,7 @@ requires-python = ">=3.11"
 # Run 'tox -e deps' after making changes here. This will update requirement files.
 # Make sure to list one dependency per line.
 dependencies = [
-    "sciline>=25.05.1",
+    "sciline>=25.11.0",
     "scipp>=25.04.0",
     "scippneutron>=25.02.0",
     "scippnexus>=25.06.0",
diff --git a/requirements/base.in b/requirements/base.in
@@ -2,7 +2,7 @@
 # will not be touched by ``make_base.py``
 # --- END OF CUSTOM SECTION ---
 # The following was generated by 'tox -e deps', DO NOT EDIT MANUALLY!
-sciline>=25.05.1
+sciline>=25.11.0
 scipp>=25.04.0
 scippneutron>=25.02.0
 scippnexus>=25.06.0
diff --git a/requirements/base.txt b/requirements/base.txt
@@ -1,4 +1,4 @@
-# SHA1:99f16c205324f8050cb96af707a607064a1a39a3
+# SHA1:e86f9d2876cf304569910ff89826c8e5aac84bf8
 #
 # This file was generated by pip-compile-multi.
 # To update, run:
@@ -66,7 +66,7 @@ python-dateutil==2.9.0.post0
     #   matplotlib
     #   scippneutron
     #   scippnexus
-sciline==25.8.0
+sciline==25.11.0
     # via -r base.in
 scipp==25.8.0
     # via
@@ -79,7 +79,7 @@ scippnexus==25.6.0
     # via
     #   -r base.in
     #   scippneutron
-scipy==1.16.2
+scipy==1.16.3
     # via
     #   scippneutron
     #   scippnexus
diff --git a/requirements/basetest.txt b/requirements/basetest.txt
@@ -31,11 +31,11 @@ ipython==9.6.0
     # via ipywidgets
 ipython-pygments-lexers==1.1.1
     # via ipython
-ipywidgets==8.1.7
+ipywidgets==8.1.8
     # via -r basetest.in
 jedi==0.19.2
     # via ipython
-jupyterlab-widgets==3.0.15
+jupyterlab-widgets==3.0.16
     # via ipywidgets
 kiwisolver==1.4.9
     # via matplotlib
@@ -99,7 +99,7 @@ requests==2.32.5
     # via pooch
 scipp==25.8.0
     # via tof
-scipy==1.16.2
+scipy==1.16.3
     # via
     #   -r basetest.in
     #   tof
@@ -120,5 +120,5 @@ urllib3==2.5.0
     # via requests
 wcwidth==0.2.14
     # via prompt-toolkit
-widgetsnbextension==4.0.14
+widgetsnbextension==4.0.15
     # via ipywidgets
diff --git a/requirements/ci.txt b/requirements/ci.txt
@@ -48,5 +48,5 @@ tox==4.32.0
     # via -r ci.in
 urllib3==2.5.0
     # via requests
-virtualenv==20.35.3
+virtualenv==20.35.4
     # via tox
diff --git a/requirements/dev.txt b/requirements/dev.txt
@@ -83,7 +83,7 @@ pip-compile-multi==3.2.2
     # via -r dev.in
 pip-tools==7.5.1
     # via pip-compile-multi
-plumbum==1.9.0
+plumbum==1.10.0
     # via copier
 prometheus-client==0.23.1
     # via jupyter-server
@@ -117,7 +117,7 @@ tzdata==2025.2
     # via arrow
 uri-template==1.3.0
     # via jsonschema
-webcolors==24.11.1
+webcolors==25.10.0
     # via jsonschema
 websocket-client==1.9.0
     # via jupyter-server
diff --git a/requirements/docs.txt b/requirements/docs.txt
@@ -65,7 +65,7 @@ ipython==9.6.0
     #   ipywidgets
 ipython-pygments-lexers==1.1.1
     # via ipython
-ipywidgets==8.1.7
+ipywidgets==8.1.8
     # via -r docs.in
 jedi==0.19.2
     # via ipython
@@ -92,7 +92,7 @@ jupyter-core==5.9.1
     #   nbformat
 jupyterlab-pygments==0.3.0
     # via nbconvert
-jupyterlab-widgets==3.0.15
+jupyterlab-widgets==3.0.16
     # via ipywidgets
 llvmlite==0.45.1
     # via numba
@@ -141,7 +141,7 @@ platformdirs==4.5.0
     # via jupyter-core
 prompt-toolkit==3.0.52
     # via ipython
-psutil==7.1.2
+psutil==7.1.3
     # via ipykernel
 ptyprocess==0.7.0
     # via pexpect
@@ -239,5 +239,5 @@ webencodings==0.5.1
     # via
     #   bleach
     #   tinycss2
-widgetsnbextension==4.0.14
+widgetsnbextension==4.0.15
     # via ipywidgets
diff --git a/requirements/nightly.txt b/requirements/nightly.txt
@@ -50,11 +50,11 @@ ipython==9.6.0
     # via ipywidgets
 ipython-pygments-lexers==1.1.1
     # via ipython
-ipywidgets==8.1.7
+ipywidgets==8.1.8
     # via -r nightly.in
 jedi==0.19.2
     # via ipython
-jupyterlab-widgets==3.0.15
+jupyterlab-widgets==3.0.16
     # via ipywidgets
 kiwisolver==1.4.10rc0
     # via matplotlib
@@ -147,7 +147,7 @@ scippnexus @ git+https://github.com/scipp/scippnexus@main
     # via
     #   -r nightly.in
     #   scippneutron
-scipy==1.16.2
+scipy==1.16.3
     # via
     #   -r nightly.in
     #   scippneutron
@@ -177,5 +177,5 @@ urllib3==2.5.0
     # via requests
 wcwidth==0.2.14
     # via prompt-toolkit
-widgetsnbextension==4.0.14
+widgetsnbextension==4.0.15
     # via ipywidgets
diff --git a/requirements/static.txt b/requirements/static.txt
@@ -21,5 +21,5 @@ pre-commit==4.3.0
     # via -r static.in
 pyyaml==6.0.3
     # via pre-commit
-virtualenv==20.35.3
+virtualenv==20.35.4
     # via pre-commit
diff --git a/src/ess/reduce/nexus/types.py b/src/ess/reduce/nexus/types.py
@@ -40,6 +40,14 @@
 # 1  TypeVars used to parametrize the generic parts of the workflow
 
 # 1.1  Run types
+
+AnyRun = NewType("AnyRun", int)
+"""RunType that does not represent a specific measurement run.
+
+This can be used in cases where it makes no sense to use an 'actual' run type
+like ``SampleRun`` or ``BackgroundRun``.
+"""
+
 BackgroundRun = NewType('BackgroundRun', int)
 """Background run such as a run with only a solvent which the sample is placed in."""
 EmptyBeamRun = NewType('EmptyBeamRun', int)
@@ -136,12 +144,17 @@ class TransmissionRun(Generic[ScatteringRunType]):
 UniqueComponent = TypeVar('UniqueComponent', snx.NXsample, snx.NXsource)
 """Components that can be identified by their type as there will only be one."""
 
-Beamline = scn_meta.Beamline
-"""Beamline metadata."""
-Measurement = scn_meta.Measurement
-"""measurement metadata."""
-Source = scn_meta.Source
-"""Neutron source metadata."""
+
+class Beamline(scn_meta.Beamline, Generic[RunType]):
+    """Beamline metadata."""
+
+
+class Measurement(scn_meta.Measurement, Generic[RunType]):
+    """measurement metadata."""
+
+
+class Source(scn_meta.Source, Generic[RunType]):
+    """Neutron source metadata."""
 
 
 class NeXusName(sciline.Scope[Component, str], str):
diff --git a/src/ess/reduce/nexus/workflow.py b/src/ess/reduce/nexus/workflow.py
@@ -47,7 +47,6 @@
     PreopenNeXusFile,
     RawChoppers,
     RunType,
-    SampleRun,
     TimeInterval,
     UniqueComponent,
 )
@@ -606,14 +605,16 @@ def _assign_values_as_variances(var: sc.Variable) -> sc.Variable:
     return var
 
 
-def load_beamline_metadata_from_nexus(file_spec: NeXusFileSpec[SampleRun]) -> Beamline:
+def load_beamline_metadata_from_nexus(
+    file_spec: NeXusFileSpec[RunType],
+) -> Beamline[RunType]:
     """Load beamline metadata from a sample NeXus file."""
     return nexus.load_metadata(file_spec.value, Beamline)
 
 
 def load_measurement_metadata_from_nexus(
-    file_spec: NeXusFileSpec[SampleRun],
-) -> Measurement:
+    file_spec: NeXusFileSpec[RunType],
+) -> Measurement[RunType]:
     """Load measurement metadata from a sample NeXus file."""
     return nexus.load_metadata(file_spec.value, Measurement)
 
diff --git a/src/ess/reduce/time_of_flight/lut.py b/src/ess/reduce/time_of_flight/lut.py
@@ -12,7 +12,7 @@
 import sciline as sl
 import scipp as sc
 
-from ..nexus.types import DiskChoppers
+from ..nexus.types import AnyRun, DiskChoppers
 from .types import TimeOfFlightLookupTable
 
 
@@ -380,7 +380,7 @@ def make_tof_lookup_table(
 
 
 def simulate_chopper_cascade_using_tof(
-    choppers: DiskChoppers,
+    choppers: DiskChoppers[AnyRun],
     source_position: SourcePosition,
     neutrons: NumberOfSimulatedNeutrons,
     pulse_stride: PulseStride,
diff --git a/tests/nexus/workflow_test.py b/tests/nexus/workflow_test.py
@@ -633,7 +633,7 @@ def test_generic_nexus_workflow_load_beamline_metadata(
 ) -> None:
     wf = GenericNeXusWorkflow(run_types=[SampleRun], monitor_types=[])
     wf[Filename[SampleRun]] = bifrost_simulated_elastic
-    beamline = wf.compute(Beamline)
+    beamline = wf.compute(Beamline[SampleRun])
 
     assert beamline.name == 'BIFROST'
     assert beamline.facility == 'ESS'
@@ -646,7 +646,7 @@ def test_generic_nexus_workflow_load_measurement_metadata(
     wf = GenericNeXusWorkflow(run_types=[SampleRun], monitor_types=[])
     wf[Filename[SampleRun]] = loki_tutorial_sample_run_60250
     wf[Filename[BackgroundRun]] = loki_tutorial_background_run_60248
-    measurement = wf.compute(Measurement)
+    measurement = wf.compute(Measurement[SampleRun])
 
     assert measurement.title == 'My experiment'
     assert measurement.experiment_id == 'p1234'
diff --git a/tests/time_of_flight/lut_test.py b/tests/time_of_flight/lut_test.py
@@ -4,14 +4,15 @@
 import scipp as sc
 
 from ess.reduce import time_of_flight
+from ess.reduce.nexus.types import AnyRun
 from ess.reduce.time_of_flight import TofLookupTableWorkflow
 
 sl = pytest.importorskip("sciline")
 
 
 def test_lut_workflow_computes_table():
     wf = TofLookupTableWorkflow()
-    wf[time_of_flight.DiskChoppers] = {}
+    wf[time_of_flight.DiskChoppers[AnyRun]] = {}
     wf[time_of_flight.SourcePosition] = sc.vector([0, 0, 0], unit='m')
     wf[time_of_flight.NumberOfSimulatedNeutrons] = 100_000
     wf[time_of_flight.SimulationSeed] = 60
@@ -40,7 +41,7 @@ def test_lut_workflow_computes_table():
 
 def test_lut_workflow_computes_table_in_chunks():
     wf = TofLookupTableWorkflow()
-    wf[time_of_flight.DiskChoppers] = {}
+    wf[time_of_flight.DiskChoppers[AnyRun]] = {}
     wf[time_of_flight.SourcePosition] = sc.vector([0, 0, 0], unit='m')
     # Lots of neutrons activates chunking
     wf[time_of_flight.NumberOfSimulatedNeutrons] = 1_000_000
@@ -70,7 +71,7 @@ def test_lut_workflow_computes_table_in_chunks():
 
 def test_lut_workflow_pulse_skipping():
     wf = TofLookupTableWorkflow()
-    wf[time_of_flight.DiskChoppers] = {}
+    wf[time_of_flight.DiskChoppers[AnyRun]] = {}
     wf[time_of_flight.SourcePosition] = sc.vector([0, 0, 0], unit='m')
     wf[time_of_flight.NumberOfSimulatedNeutrons] = 100_000
     wf[time_of_flight.SimulationSeed] = 62
@@ -93,7 +94,7 @@ def test_lut_workflow_pulse_skipping():
 
 def test_lut_workflow_non_exact_distance_range():
     wf = TofLookupTableWorkflow()
-    wf[time_of_flight.DiskChoppers] = {}
+    wf[time_of_flight.DiskChoppers[AnyRun]] = {}
     wf[time_of_flight.SourcePosition] = sc.vector([0, 0, 0], unit='m')
     wf[time_of_flight.NumberOfSimulatedNeutrons] = 100_000
     wf[time_of_flight.SimulationSeed] = 63
diff --git a/tests/time_of_flight/unwrap_test.py b/tests/time_of_flight/unwrap_test.py
diff --git a/tests/time_of_flight/wfm_test.py b/tests/time_of_flight/wfm_test.py
diff --git a/tests/time_of_flight/workflow_test.py b/tests/time_of_flight/workflow_test.py
