Add mechanism for setting sample and detector bank offset in Zoom workflow

docs/examples/zoom.ipynb

@@ -22,7 +22,7 @@
     "There are a few things that are not yet handled:\n",
     "\n",
     "- TOF or wavelength masks\n",
-    "- Position corrections from user file"
+    "- Position corrections from user file (not automatically, have manual sample and detector bank offsets)"
    ]
   },
   {
@@ -69,6 +69,8 @@
     "    sans.isis.CalibrationFilename: '192tubeCalibration_11-02-2019_r5_10lines.nxs',\n",
     "    sans.isis.Filename[sans.types.SampleRun]: 'ZOOM00034786.nxs',\n",
     "    sans.isis.Filename[sans.types.EmptyBeamRun]: 'ZOOM00034787.nxs',\n",
+    "    sans.isis.SampleOffset: sc.vector([0.0, 0.0, 0.11], unit='m'),\n",
+    "    sans.isis.DetectorBankOffset: sc.vector([0.0, 0.0, 0.5], unit='m'),\n",
     "}\n",
     "masks = [\n",
     "    'andru_test.xml',\n",
@@ -270,7 +272,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.10.13"
+   "version": "3.10.12"
   }
  },
  "nbformat": 4,

src/esssans/isis/__init__.py

@@ -9,6 +9,7 @@
     sans2d_tube_detector_pixel_shape,
 )
 from . import io, masking
+from .components import DetectorBankOffset, SampleOffset, configure_raw_data
 from .io import CalibrationFilename, DataFolder, Filename, PixelMaskFilename
 from .masking import PixelMask
 from .visualization import plot_flat_detector_xy
@@ -19,6 +20,7 @@
         get_monitor,
         lab_frame_transform,
         sans2d_tube_detector_pixel_shape,
+        configure_raw_data,
     )
     + io.providers
     + masking.providers
@@ -32,11 +34,14 @@
 __all__ = [
     'CalibrationFilename',
     'DataFolder',
+    'DetectorBankOffset',
     'Filename',
+    'configure_raw_data',
     'io',
     'masking',
     'PixelMask',
     'PixelMaskFilename',
     'providers',
+    'SampleOffset',
     'plot_flat_detector_xy',
 ]

src/esssans/isis/components.py

@@ -0,0 +1,44 @@
+# SPDX-License-Identifier: BSD-3-Clause
+# Copyright (c) 2024 Scipp contributors (https://github.com/scipp)
+from typing import NewType
+
+import sciline
+import scipp as sc
+
+from ..types import RawData, RunType
+
+PixelMask = NewType('PixelMask', sc.Variable)
+
+
+class ConfiguredRawData(sciline.Scope[RunType, sc.DataArray], sc.DataArray):
+    """Raw data with applied user configuration for component positions."""
+
+
+SampleOffset = NewType('SampleOffset', sc.Variable)
+DetectorBankOffset = NewType('DetectorBankOffset', sc.Variable)
+
+
+def configure_raw_data(
+    data: RawData[RunType],
+    sample_offset: SampleOffset,
+    detector_bank_offset: DetectorBankOffset,
+) -> ConfiguredRawData[RunType]:
+    """Apply user configuration to raw data.
+
+    Parameters
+    ----------
+    data:
+        Raw data.
+    sample_offset:
+        Sample offset.
+    detector_bank_offset:
+        Detector bank offset.
+    """
+    data = data.copy(deep=False)
+    sample_pos = data.coords['sample_position']
+    data.coords['sample_position'] = sample_pos + sample_offset.to(
+        unit=sample_pos.unit, copy=False
+    )
+    pos = data.coords['position']
+    data.coords['position'] = pos + detector_bank_offset.to(unit=pos.unit, copy=False)
+    return ConfiguredRawData[RunType](data)

src/esssans/isis/masking.py

@@ -7,6 +7,7 @@
 import scipp as sc
 
 from ..types import MaskedData, RawData, RunType, SampleRun
+from .components import ConfiguredRawData
 from .io import MaskedDetectorIDs
 
 PixelMask = NewType('PixelMask', sc.Variable)
@@ -18,7 +19,7 @@ def to_pixel_mask(data: RawData[SampleRun], masked: MaskedDetectorIDs) -> PixelM
     Parameters
     ----------
     data:
-        Raw data.
+        Raw data, defining the detector IDs.
     masked:
         The masked detector IDs.
     """
@@ -29,14 +30,18 @@ def to_pixel_mask(data: RawData[SampleRun], masked: MaskedDetectorIDs) -> PixelM
 
 
 def apply_pixel_masks(
-    data: RawData[RunType], masks: sciline.Series[str, PixelMask]
+    data: ConfiguredRawData[RunType], masks: sciline.Series[str, PixelMask]
 ) -> MaskedData[RunType]:
     """Apply pixel-specific masks to raw data.
 
+    This depends on the configured raw data (which has been configured with component
+    positions) since in principle we might apply pixel masks based on the component
+    positions. Currently the only masks are based on detector IDs.
+
     Parameters
     ----------
     data:
-        Raw data.
+        Raw data with configured component positions.
     masks:
         A series of masks.
     """