tests: orso pipeline

Author: jokasimr

tests/estia/mcstas_data_test.py

@@ -1,15 +1,20 @@
 # SPDX-License-Identifier: BSD-3-Clause
 # Copyright (c) 2024 Scipp contributors (https://github.com/scipp)
 # flake8: noqa: F403, F405
+from datetime import datetime
+from pathlib import Path
+from zoneinfo import ZoneInfo
 
 import numpy as np
 import pytest
 import sciline
 import scipp as sc
+from orsopy import fileio
 
 from ess.estia import EstiaWorkflow
 from ess.estia.data import estia_mcstas_reference_run, estia_mcstas_sample_run
 from ess.estia.load import load_mcstas_events
+from ess.reflectometry import orso
 from ess.reflectometry.types import (
     BeamDivergenceLimits,
     Filename,
@@ -35,6 +40,7 @@ def estia_mcstas_pipeline() -> sciline.Pipeline:
     wf[ZIndexLimits] = sc.scalar(0), sc.scalar(14 * 32)
     wf[BeamDivergenceLimits] = sc.scalar(-1.0, unit='deg'), sc.scalar(1.0, unit='deg')
     wf[WavelengthBins] = sc.geomspace('wavelength', 3.5, 12, 2001, unit='angstrom')
+    wf[QBins] = sc.geomspace('Q', 0.005, 0.1, 200, unit='1/angstrom')
     wf[ProtonCurrent[SampleRun]] = sc.DataArray(
         sc.array(dims=('time',), values=[]),
         coords={'time': sc.array(dims=('time',), values=[], unit='s')},
@@ -43,7 +49,30 @@ def estia_mcstas_pipeline() -> sciline.Pipeline:
         sc.array(dims=('time',), values=[]),
         coords={'time': sc.array(dims=('time',), values=[], unit='s')},
     )
-
+    wf[orso.OrsoCreator] = orso.OrsoCreator(
+        fileio.base.Person(
+            name="Max Mustermann",
+            affiliation="European Spallation Source ERIC",
+            contact="[email protected]",
+        )
+    )
+    wf[orso.OrsoExperiment] = orso.OrsoExperiment(
+        fileio.data_source.Experiment(
+            title='McStas run',
+            instrument='Estia',
+            facility='ESS',
+            start_date=datetime(2025, 3, 20, tzinfo=ZoneInfo("Europe/Stockholm")),
+            probe='neutron',
+        )
+    )
+    wf[orso.OrsoOwner] = orso.OrsoOwner(
+        fileio.base.Person(
+            name='John Doe',
+            contact='[email protected]',
+            affiliation='ESS',
+        )
+    )
+    wf[orso.OrsoSample] = orso.OrsoSample(fileio.data_source.Sample.empty())
     return wf
 
 
@@ -62,7 +91,6 @@ def test_mcstas_compute_reducible_data(estia_mcstas_pipeline: sciline.Pipeline):
 
 def test_can_compute_reflectivity_curve(estia_mcstas_pipeline: sciline.Pipeline):
     estia_mcstas_pipeline[Filename[SampleRun]] = estia_mcstas_sample_run(11)
-    estia_mcstas_pipeline[QBins] = sc.geomspace('Q', 0.005, 0.1, 200, unit='1/angstrom')
     r = estia_mcstas_pipeline.compute(ReflectivityOverQ)
     assert "Q" in r.coords
     assert "Q_resolution" in r.coords
@@ -80,3 +108,29 @@ def test_can_compute_reflectivity_curve(estia_mcstas_pipeline: sciline.Pipeline)
 
     assert max_q > sc.scalar(0.075, unit='1/angstrom')
     assert min_q < sc.scalar(0.007, unit='1/angstrom')
+
+
+def test_orso_pipeline(estia_mcstas_pipeline: sciline.Pipeline):
+    estia_mcstas_pipeline[Filename[SampleRun]] = estia_mcstas_sample_run(11)
+    res = estia_mcstas_pipeline.compute(orso.OrsoIofQDataset)
+    assert res.info.data_source.experiment.instrument == "Estia"
+    assert res.info.reduction.software.name == "ess.reflectometry"
+    assert res.info.reduction.corrections == [
+        "chopper ToF correction",
+        "footprint correction",
+        "supermirror calibration",
+    ]
+    assert res.data.ndim == 2
+    assert res.data.shape[1] == 4
+    assert np.all(res.data[:, 1] >= 0)
+    assert np.isfinite(res.data).all()
+
+
+def test_save_reduced_orso_file(
+    estia_mcstas_pipeline: sciline.Pipeline, output_folder: Path
+):
+    estia_mcstas_pipeline[Filename[SampleRun]] = estia_mcstas_sample_run(11)
+    res = estia_mcstas_pipeline.compute(orso.OrsoIofQDataset)
+    fileio.orso.save_orso(
+        datasets=[res], fname=output_folder / 'estia_reduced_iofq.ort'
+    )