essdiffraction 23.12.0__py3-none-any.whl

ess/dream/data.py

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+# SPDX-License-Identifier: BSD-3-Clause
+# Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
+_version = '1'
+
+__all__ = ['get_path']
+
+
+def _make_pooch():
+    import pooch
+
+    return pooch.create(
+        path=pooch.os_cache('ess/powgen'),
+        env='ESS_DATA_DIR',
+        base_url='https://public.esss.dk/groups/scipp/ess/dream/{version}/',
+        version=_version,
+        registry={
+            'DREAM_nexus_sorted-2023-12-07.nxs': 'md5:22824e14f6eb950d24a720b2a0e2cb66',
+        },
+    )
+
+
+_pooch = _make_pooch()
+
+
+def get_path(name: str, unzip: bool = False) -> str:
+    """
+    Return the path to a data file bundled with ess.dream.
+
+    This function only works with example data and cannot handle
+    paths to custom files.
+    """
+    import pooch
+
+    return _pooch.fetch(name, processor=pooch.Unzip() if unzip else None)

ess/dream/io.py

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+# SPDX-License-Identifier: BSD-3-Clause
+# Copyright (c) 2023 Scipp contributors (https://github.com/scipp)
+
+import os
+from typing import Any, Dict, Union
+
+import scipp as sc
+import scippnexus as snx
+
+
+def load_nexus(
+    path: Union[str, os.PathLike],
+    *,
+    load_pixel_shape: bool = False,
+    entry: str = 'entry',
+    fold_detectors: bool = True,
+) -> sc.DataGroup:
+    """
+    Load an unprocessed DREAM NeXus file.
+
+    See https://confluence.esss.lu.se/pages/viewpage.action?pageId=462000005
+    and the ICD DREAM interface specification for details.
+
+    Notes (2023-12-06):
+
+    - Mounting-unit, cassette, and counter roughly correspond to the azimuthal angle
+      in the mantle detector. However, counter is reversed in the current files. This
+      may also be the case in the other detectors.
+    - The endcap detectors have a irregular structure that cannot be fully folded.
+      This is not a problem but note again that the counter may be reversed. It is
+      currently not clear if this is a bug in the file.
+    - The high-resolution detector has a very odd numbering scheme. The SANS detector
+      is using the same, but is not populated in the current files. The scheme
+      attempts to follows some sort of physical ordering in space (x,y,z), but it
+      looks partially messed up.
+
+    Parameters
+    ----------
+    path:
+        Path to the NeXus file.
+    load_pixel_shape:
+        If True, load the pixel shape from the file's NXoff_geometry group. This is
+        often unused by would slow down file loading. Default is False.
+    entry:
+        Name of the entry to load. Default is "entry".
+    fold_detectors:
+        If True, fold the detector data to (partially) mimic the logical detector
+        structure. Default is True.
+
+    Returns
+    -------
+    :
+        A data group with the loaded file contents.
+    """
+    definitions = snx.base_definitions()
+    if not load_pixel_shape:
+        definitions["NXdetector"] = FilteredDetector
+
+    with snx.File(path, definitions=definitions) as f:
+        dg = f[entry][()]
+    dg = snx.compute_positions(dg)
+    return fold_nexus_detectors(dg) if fold_detectors else dg
+
+
+def fold_nexus_detectors(dg: sc.DataGroup) -> sc.DataGroup:
+    """
+    Fold the detector data in a DREAM NeXus file.
+
+    The detector banks in the returned data group will have a multi-dimensional shape,
+    following the logical structure as far as possible. Note that the full structure
+    cannot be folded, as some dimensions are irregular.
+    """
+    dg = dg.copy()
+    dg['instrument'] = dg['instrument'].copy()
+    instrument = dg['instrument']
+    mantle = instrument['mantle_detector']
+    mantle['mantle_event_data'] = mantle['mantle_event_data'].fold(
+        dim='detector_number',
+        sizes={
+            'wire': 32,
+            'mounting_unit': 5,
+            'cassette': 6,
+            'counter': 2,
+            'strip': 256,
+        },
+    )
+    for direction in ('backward', 'forward'):
+        endcap = instrument[f'endcap_{direction}_detector']
+        endcap[f'endcap_{direction}_event_data'] = endcap[
+            f'endcap_{direction}_event_data'
+        ].fold(
+            dim='detector_number',
+            sizes={
+                'strip': 16,
+                'wire': 16,
+                'sector': 5 if direction == 'forward' else 11,
+                'sumo_cass_ctr': -1,  # sumo*cassette*counter, irregular, cannot fold
+            },
+        )
+    high_resolution = instrument['high_resolution_detector']
+    high_resolution['high_resolution_event_data'] = high_resolution[
+        'high_resolution_event_data'
+    ].fold(
+        dim='detector_number',
+        sizes={
+            'strip': 32,
+            'other': -1,  # some random order that is hard to follow
+        },
+    )
+    sans = instrument['sans_detector']
+    sans['sans_event_data'] = sans['sans_event_data'].fold(
+        dim='detector_number',
+        sizes={
+            'strip': 32,
+            'other': -1,  # some random order that is hard to follow
+        },
+    )
+    return dg
+
+
+def _skip(name: str, obj: Union[snx.Field, snx.Group]) -> bool:
+    skip_classes = (snx.NXoff_geometry,)
+    return isinstance(obj, snx.Group) and (obj.nx_class in skip_classes)
+
+
+class FilteredDetector(snx.NXdetector):
+    def __init__(
+        self, attrs: Dict[str, Any], children: Dict[str, Union[snx.Field, snx.Group]]
+    ):
+        children = {
+            name: child for name, child in children.items() if not _skip(name, child)
+        }
+        super().__init__(attrs=attrs, children=children)

essdiffraction-23.12.0.dist-info/LICENSE

@@ -0,0 +1,29 @@
+BSD 3-Clause License
+
+Copyright (c) 2023, Scipp contributors (https://github.com/scipp)
+All rights reserved.
+
+Redistribution and use in source and binary forms, with or without
+modification, are permitted provided that the following conditions are met:
+
+1. Redistributions of source code must retain the above copyright notice, this
+   list of conditions and the following disclaimer.
+
+2. Redistributions in binary form must reproduce the above copyright notice,
+   this list of conditions and the following disclaimer in the documentation
+   and/or other materials provided with the distribution.
+
+3. Neither the name of the copyright holder nor the names of its
+   contributors may be used to endorse or promote products derived from
+   this software without specific prior written permission.
+
+THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
+AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
+DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
+FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
+DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
+SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
+CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
+OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.

essdiffraction-23.12.0.dist-info/METADATA

@@ -0,0 +1,77 @@
+Metadata-Version: 2.1
+Name: essdiffraction
+Version: 23.12.0
+Summary: Diffraction data reduction for the European Spallation Source
+Author: Scipp contributors
+License: BSD 3-Clause License
+        
+        Copyright (c) 2023, Scipp contributors (https://github.com/scipp)
+        All rights reserved.
+        
+        Redistribution and use in source and binary forms, with or without
+        modification, are permitted provided that the following conditions are met:
+        
+        1. Redistributions of source code must retain the above copyright notice, this
+           list of conditions and the following disclaimer.
+        
+        2. Redistributions in binary form must reproduce the above copyright notice,
+           this list of conditions and the following disclaimer in the documentation
+           and/or other materials provided with the distribution.
+        
+        3. Neither the name of the copyright holder nor the names of its
+           contributors may be used to endorse or promote products derived from
+           this software without specific prior written permission.
+        
+        THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
+        AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
+        IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE
+        DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE
+        FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
+        DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR
+        SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER
+        CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY,
+        OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE
+        OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
+        
+Project-URL: Bug Tracker, https://github.com/scipp/essdiffraction/issues
+Project-URL: Documentation, https://scipp.github.io/essdiffraction
+Project-URL: Source, https://github.com/scipp/essdiffraction
+Classifier: Intended Audience :: Science/Research
+Classifier: License :: OSI Approved :: BSD License
+Classifier: Natural Language :: English
+Classifier: Operating System :: OS Independent
+Classifier: Programming Language :: Python :: 3
+Classifier: Programming Language :: Python :: 3 :: Only
+Classifier: Programming Language :: Python :: 3.9
+Classifier: Programming Language :: Python :: 3.10
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Topic :: Scientific/Engineering
+Classifier: Typing :: Typed
+Requires-Python: >=3.9
+Description-Content-Type: text/markdown
+License-File: LICENSE
+Requires-Dist: dask
+Requires-Dist: graphviz
+Requires-Dist: plopp
+Requires-Dist: pythreejs
+Requires-Dist: sciline >=23.9.1
+Requires-Dist: scipp >=23.8.0
+Requires-Dist: scippneutron >=23.9.0
+Requires-Dist: scippnexus >=23.12.0
+
+[![Contributor Covenant](https://img.shields.io/badge/Contributor%20Covenant-2.1-4baaaa.svg)](CODE_OF_CONDUCT.md)
+[![PyPI badge](http://img.shields.io/pypi/v/essdiffraction.svg)](https://pypi.python.org/pypi/essdiffraction)
+[![Anaconda-Server Badge](https://anaconda.org/scipp/essdiffraction/badges/version.svg)](https://anaconda.org/scipp/essdiffraction)
+[![License: BSD 3-Clause](https://img.shields.io/badge/License-BSD%203--Clause-blue.svg)](LICENSE)
+
+# ESSdiffraction
+
+## About
+
+Diffraction data reduction for the European Spallation Source
+
+## Installation
+
+```sh
+python -m pip install essdiffraction
+```

essdiffraction-23.12.0.dist-info/RECORD

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+essdiffraction-23.12.0.dist-info/LICENSE,sha256=pvkUUgjLqx3ORl0XbYGk7JVRgZHw3MfbvzbDhlfOnWw,1553
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essdiffraction-23.12.0.dist-info/WHEEL

@@ -0,0 +1,5 @@
+Wheel-Version: 1.0
+Generator: bdist_wheel (0.42.0)
+Root-Is-Purelib: true
+Tag: py3-none-any
+

essdiffraction-23.12.0.dist-info/top_level.txt

@@ -0,0 +1 @@
+ess