restructure the type system to avoid nested parameterized types

docs/examples/amor.ipynb

@@ -6,31 +6,18 @@
  "metadata": {},
  "outputs": [],
  "source": [
- "import numpy as np\n",
- "\n",
  "import scipp as sc\n",
  "import sciline\n",
- "from essreflectometry.amor.load import load\n",
- "from essreflectometry.amor.beamline import make_beamline\n",
- "from essreflectometry.amor.conversions import specular_reflection\n",
- "from essreflectometry.amor.resolution import compute_resolution\n",
- "from essreflectometry.amor.normalize import normalize_by_supermirror\n",
- "from essreflectometry.amor.calibrations import supermirror_calibration\n",
- "from essreflectometry.reflectometry.corrections import footprint_correction, normalize_by_counts\n",
- "from essreflectometry.reflectometry.conversions import providers\n",
+ "from essreflectometry.amor import providers as amor\n",
+ "from essreflectometry.reflectometry import providers as reflectometry\n",
  "from essreflectometry.reflectometry.types import (\n",
- " ThetaBins, WavelengthBins, Sample, Reference, Sample, SampleRotation, Filename, Raw, BeamlineParams,\n",
- " ThetaData, WavelengthData, HistogrammedByQ, QDataWithResolutions, QData, QBins, NormalizedIOverQ\n",
+ " Sample, Reference, Sample, SampleRotation, Filename,\n",
+ " ThetaData, QBins, NormalizedIOverQ, QStd\n",
  ")\n",
  "\n",
- "\n",
  "pipeline = sciline.Pipeline(\n",
- " [load, make_beamline, specular_reflection, footprint_correction,\n",
- " compute_resolution, normalize_by_counts, supermirror_calibration, normalize_by_supermirror]\n",
- " + providers,\n",
+ " amor + reflectometry,\n",
  " params={\n",
- " ThetaBins: sc.linspace(dim='theta', start=0, stop=np.pi/2, num=2, unit='rad'),\n",
- " WavelengthBins: sc.array(dims=['wavelength'], values=[2.4, 16.0], unit='angstrom'),\n",
  " QBins: sc.geomspace(dim='Q', start=0.008, stop=0.075, num=200, unit='1/angstrom'),\n",
  "\n",
  " SampleRotation[Sample]: sc.scalar(0.7989, unit='deg'),\n",
@@ -40,7 +27,7 @@
  " }\n",
  ")\n",
  "\n",
- "pipeline.visualize(NormalizedIOverQ)"
+ "pipeline.visualize((NormalizedIOverQ, QStd))"
  ]
  },
  {
@@ -75,9 +62,8 @@
  "metadata": {},
  "outputs": [],
  "source": [
- "import plopp\n",
- "\n",
- "[]"
+ "res = pipeline.compute((NormalizedIOverQ, QStd))\n",
+ "res[QStd].plot()"
  ]
  }
  ],

src/essreflectometry/amor/__init__.py

@@ -1,7 +1,19 @@
 # SPDX-License-Identifier: BSD-3-Clause
 # Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
 # flake8: noqa: F401
-from . import calibrations, conversions, data, normalize, resolution, tools
-from .beamline import instrument_view_components, make_beamline
+from itertools import chain
+
+from . import calibrations, conversions, load, normalize, resolution, tools
+from .beamline import instrument_view_components
 from .instrument_view import instrument_view
-from .load import load
+
+providers = list(
+ chain(
+ load.providers,
+ calibrations.providers,
+ conversions.providers,
+ normalize.providers,
+ resolution.providers,
+ beamline.providers,
+ )
+)

src/essreflectometry/amor/beamline.py

@@ -14,6 +14,7 @@
 def make_beamline(
  sample_rotation: SampleRotation[Run],
 ) -> BeamlineParams[Run]:
+ # TODO
  beam_size: sc.Variable = None
  sample_size: sc.Variable = None
  detector_spatial_resolution: sc.Variable = None
@@ -132,3 +133,6 @@ def instrument_view_components(da: sc.DataArray) -> dict:
  'type': 'disk',
  },
  }
+
+
+providers = [make_beamline]

src/essreflectometry/amor/calibrations.py

@@ -3,12 +3,12 @@
 import scipp as sc
 
 # from ..reflectometry import orso
-from ..reflectometry.types import CalibratedReference, HistogrammedByQ, QData, Reference
+from ..reflectometry.types import CalibratedReference, Histogrammed, Reference
 
 
 def supermirror_calibration(
- data_array: HistogrammedByQ[QData[Reference]],
-) -> CalibratedReference:
+ data_array: Histogrammed[Reference],
+) -> Histogrammed[CalibratedReference]:
  # TODO
  m_value: sc.Variable = None
  critical_edge: sc.Variable = None
@@ -47,7 +47,7 @@ def supermirror_calibration(
  # ]
  # except KeyError:
  # orso.not_found_warning()
- return CalibratedReference(data_array_cal)
+ return Histogrammed[CalibratedReference](data_array_cal)
 
 
 def calibration_factor(
@@ -90,3 +90,6 @@ def calibration_factor(
  nq = 1.0 / (1.0 - alpha * (q - critical_edge))
  calibration_factor = sc.where(q < max_q, lim + (1 - lim) * nq, sc.scalar(1.0))
  return calibration_factor
+
+
+providers = [supermirror_calibration]

src/essreflectometry/amor/conversions.py

@@ -1,6 +1,5 @@
 # SPDX-License-Identifier: BSD-3-Clause
 # Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
-from typing import NewType
 import scipp as sc
 
 from ..reflectometry.conversions import specular_reflection as spec_relf_graph
@@ -31,3 +30,6 @@ def specular_reflection() -> SpecularReflectionCoordTransformGraph:
  graph = spec_relf_graph()
  graph['incident_beam'] = incident_beam
  return SpecularReflectionCoordTransformGraph(graph)
+
+
+providers = [specular_reflection]

src/essreflectometry/amor/load.py

@@ -160,3 +160,6 @@ def populate_orso(orso: Any, data: sc.DataGroup, filename: str) -> Any:
  '%Y-%m-%d',
  )
  orso.data_source.measurement.data_files = [filename]
+
+
+providers = [load]

src/essreflectometry/amor/normalize.py

@@ -5,16 +5,15 @@
 # from ..reflectometry import orso
 from ..reflectometry.types import (
  CalibratedReference,
- HistogrammedByQ,
- NormalizedData,
+ Normalized,
  NormalizedIOverQ,
- QDataWithResolutions,
+ Sample,
 )
 
 
 def normalize_by_supermirror(
- sample: NormalizedData[HistogrammedByQ[QDataWithResolutions]],
- supermirror: NormalizedData[CalibratedReference],
+ sample: Normalized[Sample],
+ supermirror: Normalized[CalibratedReference],
 ) -> NormalizedIOverQ:
  """
  Normalize the sample measurement by the (ideally calibrated) supermirror.
@@ -50,4 +49,7 @@ def normalize_by_supermirror(
  # ].value.data_source.measurement.data_files
  # except KeyError:
  # orso.not_found_warning()
- return normalized
+ return NormalizedIOverQ(normalized)
+
+
+providers = [normalize_by_supermirror]

src/essreflectometry/amor/resolution.py

@@ -2,29 +2,49 @@
 # Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
 import scipp as sc
 
-from ..reflectometry.types import QData, QDataWithResolutions, Sample
+from ..reflectometry.types import (
+ AngularResolution,
+ Histogrammed,
+ QBins,
+ QData,
+ QStd,
+ Sample,
+ SampleSizeResolution,
+ WavelengthResolution,
+)
 from .tools import fwhm_to_std
 
 
-def compute_resolution(da: QData[Sample]) -> QDataWithResolutions:
- da.coords['wavelength_resolution'] = wavelength_resolution(
- chopper_1_position=da.coords['source_chopper_1'].value['position'],
- chopper_2_position=da.coords['source_chopper_2'].value['position'],
- pixel_position=da.coords['position'],
+def wavelength_resolution(da: QData[Sample]) -> WavelengthResolution:
+ return WavelengthResolution(
+ _wavelength_resolution(
+ chopper_1_position=da.coords['source_chopper_1'].value['position'],
+ chopper_2_position=da.coords['source_chopper_2'].value['position'],
+ pixel_position=da.coords['position'],
+ )
  )
- da.coords['angular_resolution'] = angular_resolution(
- pixel_position=da.coords['position'],
- theta=da.bins.coords['theta'],
- detector_spatial_resolution=da.coords['detector_spatial_resolution'],
+
+
+def angular_resolution(da: QData[Sample]) -> AngularResolution:
+ return AngularResolution(
+ _angular_resolution(
+ pixel_position=da.coords['position'],
+ theta=da.bins.coords['theta'],
+ detector_spatial_resolution=da.coords['detector_spatial_resolution'],
+ )
  )
- da.coords['sample_size_resolution'] = sample_size_resolution(
- pixel_position=da.coords['position'],
- sample_size=da.coords['sample_size'],
+
+
+def sample_size_resolution(da: QData[Sample]) -> SampleSizeResolution:
+ return SampleSizeResolution(
+ _sample_size_resolution(
+ pixel_position=da.coords['position'],
+ sample_size=da.coords['sample_size'],
+ )
  )
- return QDataWithResolutions(da)
 
 
-def wavelength_resolution(
+def _wavelength_resolution(
  chopper_1_position: sc.Variable,
  chopper_2_position: sc.Variable,
  pixel_position: sc.Variable,
@@ -57,7 +77,7 @@ def wavelength_resolution(
  return fwhm_to_std(distance_between_choppers / chopper_detector_distance)
 
 
-def sample_size_resolution(
+def _sample_size_resolution(
  pixel_position: sc.Variable, sample_size: sc.Variable
 ) -> sc.Variable:
  """
@@ -83,7 +103,7 @@ def sample_size_resolution(
  )
 
 
-def angular_resolution(
+def _angular_resolution(
  pixel_position: sc.Variable,
  theta: sc.Variable,
  detector_spatial_resolution: sc.Variable,
@@ -123,11 +143,11 @@ def angular_resolution(
 
 
 def sigma_Q(
- angular_resolution: sc.Variable,
- wavelength_resolution: sc.Variable,
- sample_size_resolution: sc.Variable,
- q_bins: sc.Variable,
-) -> sc.Variable:
+ angular_resolution: Histogrammed[AngularResolution],
+ wavelength_resolution: WavelengthResolution,
+ sample_size_resolution: SampleSizeResolution,
+ q_bins: QBins,
+) -> QStd:
  """
  Combine all of the components of the resolution and add Q contribution.
 
@@ -152,3 +172,6 @@ def sigma_Q(
  + wavelength_resolution**2
  + sample_size_resolution**2
  ).max('detector_number') * sc.midpoints(q_bins)
+
+
+providers = [sigma_Q, angular_resolution, wavelength_resolution, sample_size_resolution]

src/essreflectometry/reflectometry/__init__.py

@@ -2,5 +2,13 @@
 # Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
 
 # flake8: noqa: F401
+from itertools import chain
 
 from . import conversions, corrections, io
+
+providers = list(
+ chain(
+ conversions.providers,
+ corrections.providers,
+ )
+)