essdiffraction 24.9.0__tar.gz → 24.10.0__tar.gz
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- {essdiffraction-24.9.0/src/essdiffraction.egg-info → essdiffraction-24.10.0}/PKG-INFO +2 -2
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/pyproject.toml +1 -1
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/base.in +1 -1
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/base.txt +13 -13
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/basetest.txt +5 -5
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/ci.txt +7 -5
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/dev.txt +5 -5
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/docs.txt +9 -9
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/nightly.txt +8 -8
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/static.txt +3 -3
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/wheels.txt +3 -3
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/dream/io/geant4.py +31 -15
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/dream/io/nexus.py +1 -1
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/dream/workflow.py +8 -8
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/powder/types.py +17 -25
- {essdiffraction-24.9.0 → essdiffraction-24.10.0/src/essdiffraction.egg-info}/PKG-INFO +2 -2
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/essdiffraction.egg-info/requires.txt +1 -1
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/tests/dream/geant4_reduction_test.py +8 -8
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/tests/dream/io/geant4_test.py +5 -11
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/tests/dream/io/nexus_test.py +3 -3
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.copier-answers.ess.yml +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.copier-answers.yml +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.github/ISSUE_TEMPLATE/blank.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.github/ISSUE_TEMPLATE/high-level-requirement.yml +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.github/dependabot.yml +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.github/workflows/ci.yml +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.github/workflows/docs.yml +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.github/workflows/nightly_at_main.yml +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.github/workflows/nightly_at_release.yml +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.github/workflows/python-version-ci +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.github/workflows/release.yml +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.github/workflows/test.yml +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.github/workflows/unpinned.yml +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.gitignore +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.pre-commit-config.yaml +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/.python-version +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/CODE_OF_CONDUCT.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/CONTRIBUTING.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/LICENSE +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/MANIFEST.in +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/README.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/conda/meta.yaml +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/_static/anaconda-icon.js +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/_static/favicon.svg +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/_static/logo-dark.svg +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/_static/logo.svg +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/_templates/class-template.rst +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/_templates/doc_version.html +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/_templates/module-template.rst +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/about/bibliography.rst +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/about/index.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/api-reference/index.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/bibliography.bib +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/conf.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/developer/coding-conventions.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/developer/dependency-management.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/developer/getting-started.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/developer/index.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/index.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/user-guide/dream/dream-data-reduction.ipynb +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/user-guide/dream/dream-instrument-view.ipynb +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/user-guide/dream/index.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/user-guide/index.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/user-guide/sns-instruments/POWGEN_data_reduction.ipynb +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/user-guide/sns-instruments/index.md +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/user-guide/sns-instruments/preprocess_files.ipynb +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/user-guide/sns-instruments/vanadium_processing.ipynb +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/basetest.in +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/ci.in +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/dev.in +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/docs.in +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/make_base.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/mypy.in +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/mypy.txt +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/nightly.in +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/static.in +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/test.in +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/test.txt +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/requirements/wheels.in +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/resources/logo.svg +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/setup.cfg +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/diffraction/__init__.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/diffraction/py.typed +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/dream/__init__.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/dream/data.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/dream/instrument_view.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/dream/io/__init__.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/dream/io/cif.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/dream/py.typed +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/powder/__init__.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/powder/_util.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/powder/conversion.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/powder/correction.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/powder/filtering.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/powder/grouping.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/powder/logging.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/powder/masking.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/powder/py.typed +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/powder/smoothing.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/powder/transform.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/snspowder/powgen/__init__.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/snspowder/powgen/beamline.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/snspowder/powgen/calibration.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/snspowder/powgen/data.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/snspowder/powgen/instrument_view.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/snspowder/powgen/peaks.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/ess/snspowder/powgen/workflow.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/essdiffraction.egg-info/SOURCES.txt +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/essdiffraction.egg-info/dependency_links.txt +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/src/essdiffraction.egg-info/top_level.txt +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/tests/dream/instrument_view_test.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/tests/dream/io/cif_test.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/tests/package_test.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/tests/powder/conversion_test.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/tests/powder/correction_test.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/tests/powder/filtering_test.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/tests/powder/transform_test.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/tests/snspowder/powgen/load_test.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/tests/snspowder/powgen/powgen_reduction_test.py +0 -0
- {essdiffraction-24.9.0 → essdiffraction-24.10.0}/tox.ini +0 -0
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Metadata-Version: 2.1
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Name: essdiffraction
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Version: 24.
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Version: 24.10.0
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Summary: Diffraction data reduction for the European Spallation Source
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Author: Scipp contributors
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License: BSD 3-Clause License
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License-File: LICENSE
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Requires-Dist: dask
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Requires-Dist: essreduce>=24.10.2
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charset-normalizer==3.4.0
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distlib==0.3.
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distlib==0.3.9
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# via gitdb
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# via -r ci.in
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typing-extensions==4.12.2
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# via tox
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# via requests
|
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# via tox
|
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@@ -14,7 +14,7 @@
|
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-r wheels.txt
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# via httpcore
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# via httpx
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# via jupyterlab
|
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# via copier
|
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# via cffi
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# via jsonschema
|
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|
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|
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|
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|
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|
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# via nbconvert
|
|
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|
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|
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# via
|
|
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|
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|
|
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|
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markupsafe==
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|
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# via
|
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# jinja2
|
|
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# nbconvert
|
|
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|
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|
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# via nbconvert
|
|
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|
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# via beautifulsoup4
|
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|
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|
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# -r docs.in
|
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|
|
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|
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|
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|
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|
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|
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|
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# via -r docs.in
|
|
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|
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|
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|
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|
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# via sphinx
|
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tornado==6.4.1
|
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# via
|
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# ipykernel
|
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# jupyter-client
|
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|
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# via pandas
|
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|
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# via requests
|
|
@@ -16,11 +16,11 @@ comm==0.2.2
|
|
|
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|
# via ipywidgets
|
|
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|
contourpy==1.3.0
|
|
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|
# via matplotlib
|
|
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|
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cyclebane==24.
|
|
19
|
+
cyclebane==24.10.0
|
|
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# via sciline
|
|
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|
cycler==0.12.1
|
|
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# via matplotlib
|
|
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|
-
dask==2024.9.
|
|
23
|
+
dask==2024.9.1
|
|
24
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|
# via -r nightly.in
|
|
25
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|
decorator==5.1.1
|
|
26
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|
# via ipython
|
|
@@ -28,13 +28,13 @@ essreduce @ git+https://github.com/scipp/essreduce@main
|
|
|
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# via -r nightly.in
|
|
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executing==2.1.0
|
|
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# via stack-data
|
|
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fonttools==4.
|
|
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+
fonttools==4.54.1
|
|
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|
# via matplotlib
|
|
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|
fsspec==2024.9.0
|
|
34
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|
# via dask
|
|
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|
graphviz==0.20.3
|
|
36
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|
# via -r nightly.in
|
|
37
|
-
h5py==3.
|
|
37
|
+
h5py==3.12.1
|
|
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38
|
# via
|
|
39
39
|
# scippneutron
|
|
40
40
|
# scippnexus
|
|
@@ -42,7 +42,7 @@ importlib-metadata==8.5.0
|
|
|
42
42
|
# via dask
|
|
43
43
|
ipydatawidgets==4.3.5
|
|
44
44
|
# via pythreejs
|
|
45
|
-
ipython==8.
|
|
45
|
+
ipython==8.28.0
|
|
46
46
|
# via ipywidgets
|
|
47
47
|
ipywidgets==8.1.5
|
|
48
48
|
# via
|
|
@@ -64,7 +64,7 @@ matplotlib-inline==0.1.7
|
|
|
64
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|
# via ipython
|
|
65
65
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mpltoolbox==24.5.1
|
|
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# via scippneutron
|
|
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-
networkx==3.
|
|
67
|
+
networkx==3.4
|
|
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|
# via cyclebane
|
|
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|
parso==0.8.4
|
|
70
70
|
# via jedi
|
|
@@ -78,7 +78,7 @@ plopp @ git+https://github.com/scipp/plopp@main
|
|
|
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78
|
# via
|
|
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79
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# -r nightly.in
|
|
80
80
|
# scippneutron
|
|
81
|
-
prompt-toolkit==3.0.
|
|
81
|
+
prompt-toolkit==3.0.48
|
|
82
82
|
# via ipython
|
|
83
83
|
ptyprocess==0.7.0
|
|
84
84
|
# via pexpect
|
|
@@ -115,7 +115,7 @@ scipy==1.14.1
|
|
|
115
115
|
# scippnexus
|
|
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|
stack-data==0.6.3
|
|
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# via ipython
|
|
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|
-
toolz==0.
|
|
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|
+
toolz==1.0.0
|
|
119
119
|
# via
|
|
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|
# dask
|
|
121
121
|
# partd
|
|
@@ -7,7 +7,7 @@
|
|
|
7
7
|
#
|
|
8
8
|
cfgv==3.4.0
|
|
9
9
|
# via pre-commit
|
|
10
|
-
distlib==0.3.
|
|
10
|
+
distlib==0.3.9
|
|
11
11
|
# via virtualenv
|
|
12
12
|
filelock==3.16.1
|
|
13
13
|
# via virtualenv
|
|
@@ -17,9 +17,9 @@ nodeenv==1.9.1
|
|
|
17
17
|
# via pre-commit
|
|
18
18
|
platformdirs==4.3.6
|
|
19
19
|
# via virtualenv
|
|
20
|
-
pre-commit==
|
|
20
|
+
pre-commit==4.0.1
|
|
21
21
|
# via -r static.in
|
|
22
22
|
pyyaml==6.0.2
|
|
23
23
|
# via pre-commit
|
|
24
|
-
virtualenv==20.26.
|
|
24
|
+
virtualenv==20.26.6
|
|
25
25
|
# via pre-commit
|
|
@@ -4,6 +4,7 @@
|
|
|
4
4
|
import numpy as np
|
|
5
5
|
import sciline
|
|
6
6
|
import scipp as sc
|
|
7
|
+
import scippnexus as snx
|
|
7
8
|
|
|
8
9
|
from ess.powder.types import (
|
|
9
10
|
CalibratedDetector,
|
|
@@ -11,13 +12,13 @@ from ess.powder.types import (
|
|
|
11
12
|
CalibrationFilename,
|
|
12
13
|
DetectorData,
|
|
13
14
|
Filename,
|
|
14
|
-
|
|
15
|
+
NeXusComponent,
|
|
15
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NeXusDetectorName,
|
|
16
|
-
|
|
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|
-
NeXusSource,
|
|
17
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+
Position,
|
|
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|
RunType,
|
|
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|
)
|
|
20
|
-
from ess.reduce.nexus.
|
|
20
|
+
from ess.reduce.nexus.types import CalibratedBeamline
|
|
21
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+
from ess.reduce.nexus.workflow import GenericNeXusWorkflow
|
|
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|
|
|
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|
MANTLE_DETECTOR_ID = sc.index(7)
|
|
23
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|
HIGH_RES_DETECTOR_ID = sc.index(8)
|
|
@@ -60,9 +61,23 @@ def load_geant4_csv(file_path: Filename[RunType]) -> AllRawDetectors[RunType]:
|
|
|
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|
|
|
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|
def extract_geant4_detector(
|
|
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detectors: AllRawDetectors[RunType], detector_name: NeXusDetectorName
|
|
63
|
-
) ->
|
|
64
|
+
) -> NeXusComponent[snx.NXdetector, RunType]:
|
|
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|
"""Extract a single detector from a loaded GEANT4 simulation."""
|
|
65
|
-
return
|
|
66
|
+
return NeXusComponent[snx.NXdetector, RunType](
|
|
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|
+
detectors["instrument"][detector_name]
|
|
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|
+
)
|
|
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|
+
|
|
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|
+
|
|
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|
+
def get_calibrated_geant4_detector(
|
|
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|
+
detector: NeXusComponent[snx.NXdetector, RunType],
|
|
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+
) -> CalibratedDetector[RunType]:
|
|
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|
+
"""
|
|
75
|
+
Replacement for :py:func:`ess.reduce.nexus.workflow.get_calibrated_detector`.
|
|
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|
+
|
|
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|
+
Since the Geant4 detectors already have computed positions as well as logical shape,
|
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|
+
this just extracts the relevant event data.
|
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+
"""
|
|
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|
+
return detector['events'].copy(deep=False)
|
|
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|
|
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|
def _load_raw_events(file_path: str) -> sc.DataArray:
|
|
@@ -171,21 +186,21 @@ def geant4_load_calibration(filename: CalibrationFilename) -> CalibrationData:
|
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def dummy_assemble_detector_data(
|
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-
detector:
|
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+
detector: CalibratedBeamline[RunType],
|
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) -> DetectorData[RunType]:
|
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"""Dummy assembly of detector data, detector already contains neutron data."""
|
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|
return DetectorData[RunType](detector)
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|
-
def
|
|
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|
-
return
|
|
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-
sc.
|
|
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+
def dummy_source_position() -> Position[snx.NXsource, RunType]:
|
|
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+
return Position[snx.NXsource, RunType](
|
|
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+
sc.vector([np.nan, np.nan, np.nan], unit="mm")
|
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|
)
|
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|
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-
def
|
|
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-
return
|
|
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-
sc.
|
|
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+
def dummy_sample_position() -> Position[snx.NXsample, RunType]:
|
|
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+
return Position[snx.NXsample, RunType](
|
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+
sc.vector([np.nan, np.nan, np.nan], unit="mm")
|
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|
)
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|
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@@ -197,7 +212,8 @@ def LoadGeant4Workflow() -> sciline.Pipeline:
|
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wf.insert(extract_geant4_detector)
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|
wf.insert(load_geant4_csv)
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wf.insert(geant4_load_calibration)
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+
wf.insert(get_calibrated_geant4_detector)
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wf.insert(dummy_assemble_detector_data)
|
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-
wf.insert(
|
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-
wf.insert(
|
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+
wf.insert(dummy_source_position)
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+
wf.insert(dummy_sample_position)
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return wf
|
|
@@ -15,8 +15,8 @@ and the ICD DREAM interface specification for details.
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import sciline
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from ess.reduce.nexus.generic_workflow import GenericNeXusWorkflow
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from ess.reduce.nexus.types import DetectorBankSizes
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+
from ess.reduce.nexus.workflow import GenericNeXusWorkflow
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DETECTOR_BANK_SIZES = {
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"endcap_backward_detector": {
|
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@@ -5,12 +5,12 @@ import itertools
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import sciline
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import scipp as sc
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+
import scippnexus as snx
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8
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from ess.powder import providers as powder_providers
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from ess.powder.types import (
|
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AccumulatedProtonCharge,
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-
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NeXusSource,
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Position,
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SampleRun,
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VanadiumRun,
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)
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@@ -23,14 +23,14 @@ _dream_providers = (prepare_reduced_dspacing_cif,)
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def default_parameters() -> dict:
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# Quantities not available in the simulated data
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-
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-
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+
sample_position = sc.vector([0.0, 0.0, 0.0], unit="mm")
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source_position = sc.vector([-3.478, 0.0, -76550], unit="mm")
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charge = sc.scalar(1.0, unit="µAh")
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return {
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-
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-
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+
Position[snx.NXsample, SampleRun]: sample_position,
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Position[snx.NXsample, VanadiumRun]: sample_position,
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Position[snx.NXsource, SampleRun]: source_position,
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Position[snx.NXsource, VanadiumRun]: source_position,
|
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AccumulatedProtonCharge[SampleRun]: charge,
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AccumulatedProtonCharge[VanadiumRun]: charge,
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CIFAuthors: CIFAuthors([]),
|
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@@ -14,36 +14,28 @@ import sciline
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import scipp as sc
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from scippneutron.io import cif
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-
from ess.reduce.nexus import generic_types as reduce_gt
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from ess.reduce.nexus import types as reduce_t
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from ess.reduce.uncertainty import UncertaintyBroadcastMode as _UncertaintyBroadcastMode
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# 1 TypeVars used to parametrize the generic parts of the workflow
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BackgroundRun =
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CalibratedDetector =
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CalibratedMonitor =
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DetectorData =
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DetectorPositionOffset =
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EmptyBeamRun =
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Filename =
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NeXusMonitorName =
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-
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-
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-
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-
SampleRun = reduce_gt.SampleRun
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-
ScatteringRunType = reduce_gt.ScatteringRunType
|
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42
|
-
Transmission = reduce_gt.Transmission
|
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43
|
-
TransmissionRun = reduce_gt.TransmissionRun
|
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44
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-
SamplePosition = reduce_gt.SamplePosition
|
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45
|
-
SourcePosition = reduce_gt.SourcePosition
|
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46
|
-
VanadiumRun = reduce_gt.VanadiumRun
|
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22
|
+
BackgroundRun = reduce_t.BackgroundRun
|
|
23
|
+
CalibratedDetector = reduce_t.CalibratedDetector
|
|
24
|
+
CalibratedMonitor = reduce_t.CalibratedMonitor
|
|
25
|
+
DetectorData = reduce_t.DetectorData
|
|
26
|
+
DetectorPositionOffset = reduce_t.DetectorPositionOffset
|
|
27
|
+
EmptyBeamRun = reduce_t.EmptyBeamRun
|
|
28
|
+
Filename = reduce_t.Filename
|
|
29
|
+
MonitorData = reduce_t.MonitorData
|
|
30
|
+
MonitorPositionOffset = reduce_t.MonitorPositionOffset
|
|
31
|
+
MonitorType = reduce_t.MonitorType
|
|
32
|
+
NeXusDetectorName = reduce_t.NeXusDetectorName
|
|
33
|
+
NeXusMonitorName = reduce_t.NeXusName
|
|
34
|
+
NeXusComponent = reduce_t.NeXusComponent
|
|
35
|
+
RunType = reduce_t.RunType
|
|
36
|
+
SampleRun = reduce_t.SampleRun
|
|
37
|
+
Position = reduce_t.Position
|
|
38
|
+
VanadiumRun = reduce_t.VanadiumRun
|
|
47
39
|
|
|
48
40
|
DetectorBankSizes = reduce_t.DetectorBankSizes
|
|
49
41
|
NeXusDetectorName = reduce_t.NeXusDetectorName
|
|
@@ -1,6 +1,6 @@
|
|
|
1
1
|
Metadata-Version: 2.1
|
|
2
2
|
Name: essdiffraction
|
|
3
|
-
Version: 24.
|
|
3
|
+
Version: 24.10.0
|
|
4
4
|
Summary: Diffraction data reduction for the European Spallation Source
|
|
5
5
|
Author: Scipp contributors
|
|
6
6
|
License: BSD 3-Clause License
|
|
@@ -51,7 +51,7 @@ Requires-Python: >=3.10
|
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51
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|
Description-Content-Type: text/markdown
|
|
52
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|
License-File: LICENSE
|
|
53
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|
Requires-Dist: dask
|
|
54
|
-
Requires-Dist: essreduce>=24.
|
|
54
|
+
Requires-Dist: essreduce>=24.10.2
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|
55
55
|
Requires-Dist: graphviz
|
|
56
56
|
Requires-Dist: numpy
|
|
57
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|
Requires-Dist: plopp
|
|
@@ -7,6 +7,7 @@ import pytest
|
|
|
7
7
|
import sciline
|
|
8
8
|
import scipp as sc
|
|
9
9
|
import scipp.testing
|
|
10
|
+
import scippnexus as snx
|
|
10
11
|
from scippneutron.io.cif import Author
|
|
11
12
|
|
|
12
13
|
import ess.dream.data # noqa: F401
|
|
@@ -22,9 +23,8 @@ from ess.powder.types import (
|
|
|
22
23
|
IofDspacingTwoTheta,
|
|
23
24
|
MaskedData,
|
|
24
25
|
NeXusDetectorName,
|
|
25
|
-
NeXusSample,
|
|
26
|
-
NeXusSource,
|
|
27
26
|
NormalizedByProtonCharge,
|
|
27
|
+
Position,
|
|
28
28
|
ReducedDspacingCIF,
|
|
29
29
|
SampleRun,
|
|
30
30
|
TofMask,
|
|
@@ -35,8 +35,8 @@ from ess.powder.types import (
|
|
|
35
35
|
WavelengthMask,
|
|
36
36
|
)
|
|
37
37
|
|
|
38
|
-
sample = sc.
|
|
39
|
-
source = sc.
|
|
38
|
+
sample = sc.vector([0.0, 0.0, 0.0], unit='mm')
|
|
39
|
+
source = sc.vector([-3.478, 0.0, -76550], unit='mm')
|
|
40
40
|
charge = sc.scalar(1.0, unit='µAh')
|
|
41
41
|
|
|
42
42
|
params = {
|
|
@@ -48,10 +48,10 @@ params = {
|
|
|
48
48
|
DspacingBins: sc.linspace('dspacing', 0.0, 2.3434, 201, unit='angstrom'),
|
|
49
49
|
TofMask: lambda x: (x < sc.scalar(0.0, unit='ns'))
|
|
50
50
|
| (x > sc.scalar(86e6, unit='ns')),
|
|
51
|
-
|
|
52
|
-
|
|
53
|
-
|
|
54
|
-
|
|
51
|
+
Position[snx.NXsample, SampleRun]: sample,
|
|
52
|
+
Position[snx.NXsample, VanadiumRun]: sample,
|
|
53
|
+
Position[snx.NXsource, SampleRun]: source,
|
|
54
|
+
Position[snx.NXsource, VanadiumRun]: source,
|
|
55
55
|
AccumulatedProtonCharge[SampleRun]: charge,
|
|
56
56
|
AccumulatedProtonCharge[VanadiumRun]: charge,
|
|
57
57
|
TwoThetaMask: None,
|
|
@@ -8,17 +8,11 @@ import numpy as np
|
|
|
8
8
|
import pytest
|
|
9
9
|
import scipp as sc
|
|
10
10
|
import scipp.testing
|
|
11
|
+
import scippnexus as snx
|
|
11
12
|
|
|
12
13
|
from ess.dream import data, load_geant4_csv
|
|
13
14
|
from ess.dream.io.geant4 import LoadGeant4Workflow
|
|
14
|
-
from ess.powder.types import
|
|
15
|
-
Filename,
|
|
16
|
-
NeXusDetector,
|
|
17
|
-
NeXusDetectorName,
|
|
18
|
-
NeXusSample,
|
|
19
|
-
NeXusSource,
|
|
20
|
-
SampleRun,
|
|
21
|
-
)
|
|
15
|
+
from ess.powder.types import Filename, NeXusComponent, NeXusDetectorName, SampleRun
|
|
22
16
|
|
|
23
17
|
|
|
24
18
|
@pytest.fixture(scope="module")
|
|
@@ -186,13 +180,13 @@ def test_geant4_in_pipeline(file_path, file):
|
|
|
186
180
|
pipeline = LoadGeant4Workflow()
|
|
187
181
|
pipeline[Filename[SampleRun]] = file_path
|
|
188
182
|
pipeline[NeXusDetectorName] = NeXusDetectorName("mantle")
|
|
189
|
-
pipeline[
|
|
183
|
+
pipeline[NeXusComponent[snx.NXsample, SampleRun]] = sc.DataGroup(
|
|
190
184
|
position=sc.vector([0.0, 0.0, 0.0], unit="mm")
|
|
191
185
|
)
|
|
192
|
-
pipeline[
|
|
186
|
+
pipeline[NeXusComponent[snx.NXsource, SampleRun]] = sc.DataGroup(
|
|
193
187
|
position=sc.vector([-3.478, 0.0, -76550], unit="mm")
|
|
194
188
|
)
|
|
195
189
|
|
|
196
|
-
detector = pipeline.compute(
|
|
190
|
+
detector = pipeline.compute(NeXusComponent[snx.NXdetector, SampleRun])['events']
|
|
197
191
|
expected = load_geant4_csv(file)["instrument"]["mantle"]["events"]
|
|
198
192
|
sc.testing.assert_identical(detector, expected)
|
|
@@ -6,16 +6,16 @@ import scipp as sc
|
|
|
6
6
|
|
|
7
7
|
import ess.dream.data # noqa: F401
|
|
8
8
|
from ess import dream
|
|
9
|
-
from ess.reduce.nexus.
|
|
9
|
+
from ess.reduce.nexus.types import (
|
|
10
10
|
CalibratedDetector,
|
|
11
11
|
CalibratedMonitor,
|
|
12
12
|
DetectorData,
|
|
13
13
|
Filename,
|
|
14
14
|
Monitor1,
|
|
15
|
-
|
|
15
|
+
NeXusDetectorName,
|
|
16
16
|
SampleRun,
|
|
17
17
|
)
|
|
18
|
-
from ess.reduce.nexus.types import
|
|
18
|
+
from ess.reduce.nexus.types import NeXusName as NeXusMonitorName
|
|
19
19
|
|
|
20
20
|
bank_dims = {'wire', 'module', 'segment', 'strip', 'counter'}
|
|
21
21
|
hr_sans_dims = {'strip', 'other'}
|
|
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|
|
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|
{essdiffraction-24.9.0 → essdiffraction-24.10.0}/.github/ISSUE_TEMPLATE/high-level-requirement.yml
RENAMED
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{essdiffraction-24.9.0 → essdiffraction-24.10.0}/docs/user-guide/dream/dream-data-reduction.ipynb
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|
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