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Fix false dependency of OutputCalibrationData on CorrectedDetector #250

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Fix false dependency of OutputCalibrationData on CorrectedDetector #250

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3fd0c84
fix: break false dependency of OutputCalibrationData on CorrectedDete…
SimonHeybrock Feb 27, 2026
9f38b04
fix: address review comments on PR #250
SimonHeybrock Feb 27, 2026
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38 changes: 33 additions & 5 deletions src/ess/powder/calibration.py
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Original file line number Diff line number Diff line change
Expand Up @@ -9,7 +9,14 @@
import scipp as sc
import scipp.constants

from .types import CorrectedDetector, SampleRun
from .types import (
DetectorLtotal,
DetectorTwoTheta,
ElasticCoordTransformGraph,
EmptyDetector,
RunType,
SampleRun,
)


class OutputCalibrationData(Mapping[int, sc.Variable]):
Expand Down Expand Up @@ -93,13 +100,34 @@ def to_cif_format(self) -> sc.DataArray:
)


def detector_two_theta(
detector: EmptyDetector[RunType],
graph: ElasticCoordTransformGraph[RunType],
) -> DetectorTwoTheta[RunType]:
"""Compute the scattering angle (two-theta) for each detector pixel.

Parameters
----------
detector:
Data array with detector positions.
graph:
Coordinate transformation graph for elastic scattering.
"""
return DetectorTwoTheta[RunType](
detector.transform_coords(
"two_theta", graph=graph, keep_intermediate=False
).coords["two_theta"]
)


def assemble_output_calibration(
data: CorrectedDetector[SampleRun],
ltotal: DetectorLtotal[SampleRun],
two_theta: DetectorTwoTheta[SampleRun],
) -> OutputCalibrationData:
"""Construct output calibration data from average pixel positions."""
# Use nanmean because pixels without events have position=NaN.
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@jl-wynen jl-wynen Feb 27, 2026

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average_l = sc.nanmean(data.coords["Ltotal"])
average_two_theta = sc.nanmean(data.coords["two_theta"])
average_l = sc.nanmean(ltotal)
average_two_theta = sc.nanmean(two_theta)
difc = sc.to_unit(
2
* sc.constants.m_n
Expand All @@ -111,4 +139,4 @@ def assemble_output_calibration(
return OutputCalibrationData({1: difc})


providers = (assemble_output_calibration,)
providers = (detector_two_theta, assemble_output_calibration)
5 changes: 5 additions & 0 deletions src/ess/powder/types.py
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Original file line number Diff line number Diff line change
Expand Up @@ -36,6 +36,7 @@

DetectorBankSizes = reduce_t.DetectorBankSizes

DetectorLtotal = tof_t.DetectorLtotal
TofDetector = tof_t.TofDetector
TofMonitor = tof_t.TofMonitor
PulseStrideOffset = tof_t.PulseStrideOffset
Expand Down Expand Up @@ -103,6 +104,10 @@ class WavelengthDetector(sciline.Scope[RunType, sc.DataArray], sc.DataArray):
"""Histogrammed intensity vs d-spacing."""


class DetectorTwoTheta(sciline.Scope[RunType, sc.Variable], sc.Variable):
"""Scattering angle (two-theta) for each detector pixel."""


class ElasticCoordTransformGraph(sciline.Scope[RunType, dict], dict):
"""Graph for transforming coordinates in elastic scattering."""

Expand Down
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