modacor 1.0.0__tar.gz

modacor-1.0.0/.copier-answers.yml

@@ -0,0 +1,24 @@
+# Changes here will be overwritten by Copier
+_commit: v1.1.13
+_src_path: yapy-copier-template
+author_count: 2
+author_emails: brian.pauw@bam.de, tim.snow@diamond.ac.uk
+author_names: Brian R. Pauw, Tim Snow
+author_websites: https://lookingatnothing.com, https://www.diamond.ac.uk/Instruments/Soft-Condensed-Matter/small-angle/I22/Staff/Tim-Snow.html
+copyright_from: 2025
+docs_url: https://BAMresearch.github.io/MoDaCor
+license: BSD-3-Clause
+project_description: A new modular data correction software for any neutron or X-ray
+    technique that produces 1D or 2D scattering, diffraction, or imaging data.
+project_name: MoDaCor
+pypi_host: pypi.org
+python_versions:
+- '3.12'
+- '3.13'
+release_date_question: 25-05-21
+repo_hosting_domain: github.com
+repo_main_branch: main
+repo_name: MoDaCor
+repo_userorg: BAMresearch
+sphinx_theme: pydata-sphinx-theme
+version: 1.0.0

modacor-1.0.0/.editorconfig

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+# see https://editorconfig.org/
+root = true
+
+[*]
+# Use Unix-style newlines for most files (except Windows files, see below).
+end_of_line = lf
+trim_trailing_whitespace = true
+indent_style = space
+insert_final_newline = true
+indent_size = 4
+charset = utf-8
+
+[*.{bat,cmd,ps1}]
+end_of_line = crlf
+
+[*.{yml,yaml}]
+indent_size = 2
+
+[*.tsv]
+indent_style = tab

modacor-1.0.0/.flake8

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+[flake8]
+ignore = E203, E266, E501, W503, F403, F401, F405, F821
+max-line-length = 120
+max-complexity = 18
+select = C,E,F,W,B,B950

modacor-1.0.0/.pre-commit-config.yaml

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+# To install the git pre-commit hook run:
+#   pre-commit install
+# To update the pre-commit hooks run:
+#   pre-commit install-hooks
+exclude: '^(\.tox|ci/templates|\.bumpversion\.cfg|testdata|docs/\w+\.xml|\w+\.drawio)(/|$)'
+repos:
+  - repo: https://github.com/pre-commit/pre-commit-hooks
+    rev: v5.0.0
+    hooks:
+      - id: trailing-whitespace
+      - id: end-of-file-fixer
+      - id: debug-statements
+  - repo: https://github.com/pycqa/isort
+    rev: 5.12.0
+    hooks:
+      - id: isort
+  - repo: https://github.com/psf/black
+    rev: 23.1.0
+    hooks:
+      - id: black
+  - repo: https://github.com/pycqa/flake8
+    rev: 6.0.0
+    hooks:
+      - id: flake8
+        args: [--config=.flake8]

modacor-1.0.0/AUTHORS.md

@@ -0,0 +1,11 @@
+
+# Authors
+
+- Brian R. Pauw
+- Malte Storm
+- Glen Smales
+- Armin Moser
+- Jérôme Kieffer
+- Tim Snow
+- Anja Hörmann
+- Ingo Breßler

modacor-1.0.0/CHANGELOG.md

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+Changelog
+=========
+
+% <!--next-version-placeholder-->
+
+## v1.0.0 (2025-06-16)
+
+### Unknown
+
+* fix pytest warning: rename TestProcessingStep -> TESTProcessingStep ([`b19e701`](https://github.com/BAMresearch/MoDaCor/commit/b19e701f983322c1cc2aee68b152ad633fbb923a))
+
+* adapt PoissonUncertainties unit test to use processing data ([`86c719b`](https://github.com/BAMresearch/MoDaCor/commit/86c719bd90a68c842e2e72118893ce099e4a1400))
+
+* modification of the poisson uncertainties module for pipeline use ([`ce86eae`](https://github.com/BAMresearch/MoDaCor/commit/ce86eae06eee81d6353aca2f499447c3039dcaf0))
+
+* pipeline with PoissonUncertainties step is now running ([`594315b`](https://github.com/BAMresearch/MoDaCor/commit/594315bedfdaae91e06b5afdfda85da1f4d46c62))
+
+* adjust names of bundles and BaseData keys to contain "signal" ([`e8c342f`](https://github.com/BAMresearch/MoDaCor/commit/e8c342f6ea95d8effcca863a42a3d3d58333444c))
+
+* add license text to license.py ([`fdd7ddf`](https://github.com/BAMresearch/MoDaCor/commit/fdd7ddf54f40de677139b9ebe61799db136ec271))
+
+* add to last commit ([`648cb25`](https://github.com/BAMresearch/MoDaCor/commit/648cb2529665caac5d5117b7275ee99f7f069ae2))
+
+* adding a central license to shorten headers ([`2f88d39`](https://github.com/BAMresearch/MoDaCor/commit/2f88d39c0790e2b2eb2d917f0b78493edf3c18db))
+
+* begin adapting the calculate function ([`7cf56a1`](https://github.com/BAMresearch/MoDaCor/commit/7cf56a1bdf7c96428121b37bd13ab41ded0da1bd))
+
+* update pipeline integration test to use new ProcessStep ([`61724fd`](https://github.com/BAMresearch/MoDaCor/commit/61724fd311c1d94c86fb26a72d79f7988bc4e7e6))
+
+* update to new BaseData unit handling ([`06f8763`](https://github.com/BAMresearch/MoDaCor/commit/06f8763c7832e8689ad9cc91977287a93b986f51))
+
+* use modacor's unit registry ([`540ce4a`](https://github.com/BAMresearch/MoDaCor/commit/540ce4ad6ddf4ec406e515649715e8a541d856ed))
+
+* adapt PoissonUncertainties unit test to use processing data ([`bf20968`](https://github.com/BAMresearch/MoDaCor/commit/bf2096899ccc0a95f58d115b3beacb37f1f00fe3))
+
+* modification of the poisson uncertainties module for pipeline use ([`ee3e940`](https://github.com/BAMresearch/MoDaCor/commit/ee3e9400062c4d70befdb729ede685e04583cf56))
+
+* pipeline with PoissonUncertainties step is now running ([`663fee6`](https://github.com/BAMresearch/MoDaCor/commit/663fee6313382b33ac1d00d31a08e32da0660654))
+
+* adjust names of bundles and BaseData keys to contain "signal" ([`ff9a21a`](https://github.com/BAMresearch/MoDaCor/commit/ff9a21a4486911029284f887b320e44c14f0f270))
+
+* begin adapting the calculate function ([`cc5f122`](https://github.com/BAMresearch/MoDaCor/commit/cc5f12217823ce3c378e15c27efcc50ec3d96c6c))
+
+* update pipeline integration test to use new ProcessStep ([`aec63ce`](https://github.com/BAMresearch/MoDaCor/commit/aec63ce8c358448f9f3ef0f8214f3b91dd72e645))
+
+* update to new BaseData unit handling ([`ebdceeb`](https://github.com/BAMresearch/MoDaCor/commit/ebdceebb01d251fcac65d9975a31eb968dabab71))
+
+* use modacor's unit registry ([`5fe0eda`](https://github.com/BAMresearch/MoDaCor/commit/5fe0eda2dd0e5cf33d3b8f92155b66dbadaca61d))
+
+* arithmetic: data is _divided_ by normalization ([`98f9389`](https://github.com/BAMresearch/MoDaCor/commit/98f938966269416c5e0280389982ed3a7297af36))
+
+* BaseData no longer has a .data property ([`5a53260`](https://github.com/BAMresearch/MoDaCor/commit/5a53260f6cc44415b8d9b671dac8c6c6e3602a12))
+
+* remove test of display_data property: display_units not defined ([`19d0a66`](https://github.com/BAMresearch/MoDaCor/commit/19d0a664c0074273339eb435691ae91fc1d8ddb1))
+
+* basedata: use simplified call signature ([`619368a`](https://github.com/BAMresearch/MoDaCor/commit/619368ab05757fe6bcfd81b3c18588e551349568))
+
+* import uncertainties.unumpy for variance calculation tests ([`7a55d68`](https://github.com/BAMresearch/MoDaCor/commit/7a55d68e7635f5c4b991778b7021d93a207647c3))
+
+* add license text to license.py ([`0f5cfb9`](https://github.com/BAMresearch/MoDaCor/commit/0f5cfb9ceb66d7156ac01229eb46eecdaf6f3de1))
+
+* add to last commit ([`441068d`](https://github.com/BAMresearch/MoDaCor/commit/441068d79470cc19d13a78416dbb2a030851f2a6))
+
+* adding a central license to shorten headers ([`939516c`](https://github.com/BAMresearch/MoDaCor/commit/939516c078bbd0d6d272399ee3c5e4094cd0718a))
+
+* add note to self: need ProcessStep registry to populate pipeline ([`b8ba70b`](https://github.com/BAMresearch/MoDaCor/commit/b8ba70b55a1bd0eafb4c0bf39496ecc28b25ec88))
+
+* test and draft config format for pipeline import from yaml ([`4a40871`](https://github.com/BAMresearch/MoDaCor/commit/4a40871f2b6b17835069b376941162fa357e2481))
+
+* initial yaml loader for pipelines ([`a12d58e`](https://github.com/BAMresearch/MoDaCor/commit/a12d58e8cd5806f742c01619d8325c4ef70d3bd7))
+
+* add hash function to make test run (already in draft PR #33) ([`4e03a00`](https://github.com/BAMresearch/MoDaCor/commit/4e03a00765ca19b5f3ff94f3ee1a526338c2380e))
+
+* add pyyaml to requirements for yaml definition of pipelines ([`0f76ece`](https://github.com/BAMresearch/MoDaCor/commit/0f76ecec1909671391aea861d20e0528fff688d5))
+
+* Delete src/modacor/modules/base_modules/poisson_uncertainty.py ([`09def97`](https://github.com/BAMresearch/MoDaCor/commit/09def97ecf615beb85d130695dff425e86853d25))
+
+* Updating the ProcessStep definition (#34) ([`605c3f6`](https://github.com/BAMresearch/MoDaCor/commit/605c3f6151152b3dddf406b64d799bc16abc2eba))
+
+* changing unit handling to central pint unit registry ([`ee3f2f5`](https://github.com/BAMresearch/MoDaCor/commit/ee3f2f5738eecfd0068ccd2a8b729599a725fa2e))
+
+* adding a multiply by variable processing step ([`fa04cd7`](https://github.com/BAMresearch/MoDaCor/commit/fa04cd7f06750def211fc216cf04ea75764f29f1))
+
+* import central unit registry ([`cfdd867`](https://github.com/BAMresearch/MoDaCor/commit/cfdd86756383f37d23bb45f5db08a7f1d1d60347))
+
+* change internal_units to signal_units and removing ingest and display units ([`adfa551`](https://github.com/BAMresearch/MoDaCor/commit/adfa55185ca37b59b975ee3d978c5014bf17258b))
+
+* minor polishing ([`e9f9083`](https://github.com/BAMresearch/MoDaCor/commit/e9f9083ad87869862cabe19970b79f111db76ca3))
+
+* provide azimuthal variance ([`93d0dae`](https://github.com/BAMresearch/MoDaCor/commit/93d0dae3de397e28f86e49151ef14d356e5f8c6f))
+
+* First uncertainties commit, test is broken ([`29bec04`](https://github.com/BAMresearch/MoDaCor/commit/29bec04a256f356c89f099c5cd9c86d642e4de25))
+
+* fixing error ([`986f10b`](https://github.com/BAMresearch/MoDaCor/commit/986f10bcb6241ff3e48537c18d11fdbb389f2359))
+
+* Starting on Poisson Testing ([`04eaa24`](https://github.com/BAMresearch/MoDaCor/commit/04eaa249dc3054bbca4990ec098d01550edb4fc2))
+
+* implement the test, still broken ([`2b787b7`](https://github.com/BAMresearch/MoDaCor/commit/2b787b78f13461eeffe4dab28f109ca9e0a54647))
+
+* polish import_tester ([`683a0f8`](https://github.com/BAMresearch/MoDaCor/commit/683a0f88d51f406004f7dea7ab5c5b017cbd18b9))
+
+* make an integrated dataset behave like a normal one ([`49e8412`](https://github.com/BAMresearch/MoDaCor/commit/49e8412e220516ab8587aaad8f9e7bb19790b45b))
+
+* feed-back of flake8 ([`07cdc34`](https://github.com/BAMresearch/MoDaCor/commit/07cdc34109397de6d9369d840b2e0e0326b4c636))
+
+* Allow longer lines ([`5b74de3`](https://github.com/BAMresearch/MoDaCor/commit/5b74de3f0785a430b2b01adf1a5d8d17bce69482))
+
+* configuration for flake8 ([`dc45d13`](https://github.com/BAMresearch/MoDaCor/commit/dc45d13a44d06dc0bb3f6bf94b7a1c0cd2e7e27a))
+
+* increase line length ([`d56fc36`](https://github.com/BAMresearch/MoDaCor/commit/d56fc36fccb1a629fb6092c1d6220b34699f7e9a))
+
+* fix PoissonUncertainties module: needs to return outputs ([`4e4eeea`](https://github.com/BAMresearch/MoDaCor/commit/4e4eeeab00da48c34ec0bbedd78b670fcb40f07a))
+
+* use smaller array for testing ([`2b57000`](https://github.com/BAMresearch/MoDaCor/commit/2b5700015584e2267e6feaef108488241acccbc6))
+
+* test runs until PoissonUncertainties are actually calculated ([`7c91102`](https://github.com/BAMresearch/MoDaCor/commit/7c91102831fdcf15c77b42a9d291d15f1e1a6d9b))
+
+* prepare test running PoissonUncertainties module in a pipeline ([`537ccdf`](https://github.com/BAMresearch/MoDaCor/commit/537ccdf171d6b7c4b6549c5ba4cb8a721a69bbdf))
+
+* adapt: DataBundle no longer has a data attribute ([`7a33677`](https://github.com/BAMresearch/MoDaCor/commit/7a33677b5ba7261a49ff1d3637d4fad45d9c0e46))
+
+* first integration test: run pipeline with dummy processsteps ([`58e1c5d`](https://github.com/BAMresearch/MoDaCor/commit/58e1c5d2dc3fda70a02b7617f360d47c18d78ed0))
+
+* add hash function to ProcessStep ([`15125a9`](https://github.com/BAMresearch/MoDaCor/commit/15125a96738be47231658e7dbf340cce298f0f23))
+
+* remove DataBundle from the arguments for running the pipeline ([`def0dba`](https://github.com/BAMresearch/MoDaCor/commit/def0dbafb4ac7d6926b9d6c374033340217f0d66))
+
+* fixing file reference in documentation ([`5d337fd`](https://github.com/BAMresearch/MoDaCor/commit/5d337fd1c572b7c933d87a2688fd1524c11c0284))
+
+* removing unused fields ([`4b12b8f`](https://github.com/BAMresearch/MoDaCor/commit/4b12b8f38b0ac2b8b30bbfeaec9ed12f6535fa5f))
+
+* Tidy up ([`312cb82`](https://github.com/BAMresearch/MoDaCor/commit/312cb829a2c2b79e7ccf940e4e27284b98c94c86))
+
+* HDF Loader Tests Now Passing ([`d17e05d`](https://github.com/BAMresearch/MoDaCor/commit/d17e05dfa09697d09a0d20052c6ecd5fce0bb24e))
+
+* adding a new poisson uncertainties estimator ([`22c2233`](https://github.com/BAMresearch/MoDaCor/commit/22c2233163903b5c613829671c261904cc7ba2dc))
+
+* Delete src/modacor/dataclasses/pipelinedata.py ([`5045ae9`](https://github.com/BAMresearch/MoDaCor/commit/5045ae991370e583ea5790e992ffaf5003e21d9d))
+
+* renaming pipelinedata to processingdata ([`be76a32`](https://github.com/BAMresearch/MoDaCor/commit/be76a326c52578ce508b5740773137b1f0282e8c))
+
+* Removing an outdated module ([`cbd7f87`](https://github.com/BAMresearch/MoDaCor/commit/cbd7f8791c98228837c8b914dab4df20e16f0b95))
+
+* Updated formatting with black, flake8 and isort ([`c89718b`](https://github.com/BAMresearch/MoDaCor/commit/c89718b70fd5d84d4deb6e29dc39eeb571fa37a7))
+
+* add __init__.py in runner submodule ([`d995aff`](https://github.com/BAMresearch/MoDaCor/commit/d995affc5210693e5e8500d64c5f2ab87c030aed))
+
+* modify branch addition methods to operate on another Pipeline ([`3dcdce7`](https://github.com/BAMresearch/MoDaCor/commit/3dcdce7871372af6f01f84ad2466f9bf31c35f58))
+
+* use the same syntax for incoming and outgoing branch addition ([`ee8ada7`](https://github.com/BAMresearch/MoDaCor/commit/ee8ada700b2b6850a97b0822d1c4ef8ca8f77b15))
+
+* add separate methods for adding in- and outgoing branches ([`a635247`](https://github.com/BAMresearch/MoDaCor/commit/a635247014b40ef5663500adcb1f3521eadc7e2e))
+
+* fix reference to self ([`06c2173`](https://github.com/BAMresearch/MoDaCor/commit/06c217386d3fc15bfe64bd0f15ee08bb626ec676))
+
+* prepare running the pipeline - not yet tested ([`f544fea`](https://github.com/BAMresearch/MoDaCor/commit/f544fea40838c280f866e8435355d0d66e189b8f))
+
+* add functionality for branching the pipeline, with simple tests ([`e8093f8`](https://github.com/BAMresearch/MoDaCor/commit/e8093f802532f4a22d0222e1eb7b3618bec6ecf2))
+
+* test addition of a simple hashable object ([`e9bdcbf`](https://github.com/BAMresearch/MoDaCor/commit/e9bdcbf38fabcdf75f422d857ef74ff4f55fb7f4))
+
+* initial pipeline draft based on graphlibs TopologicalSorter ([`7c5cfc5`](https://github.com/BAMresearch/MoDaCor/commit/7c5cfc593f2dc7a38e597ba35da99b02913e55f4))
+
+* fix a bunch of tests ([`503d1e0`](https://github.com/BAMresearch/MoDaCor/commit/503d1e09c367bdf5a8aa8b3b18e03a25f618a242))
+
+* flake8 config file ([`2d34c5d`](https://github.com/BAMresearch/MoDaCor/commit/2d34c5d63743048cc49a2be485856030a5ce4ca7))
+
+* cleanup of databundle and adding pipelinedata ([`2015907`](https://github.com/BAMresearch/MoDaCor/commit/2015907e877b4c2e98910116a815a6a3c559a4a9))
+
+* adding a header and cleanung up datbundle. ([`7c4e7e3`](https://github.com/BAMresearch/MoDaCor/commit/7c4e7e3888b6a3c085948cbb353ca4e37ca9342e))
+
+* renaming raw_data to signal in BaseData ([`2f6429f`](https://github.com/BAMresearch/MoDaCor/commit/2f6429ffd65b49de93d25a218151ff3ee2e78d9d))
+
+* HDF Testing ([`d874571`](https://github.com/BAMresearch/MoDaCor/commit/d874571d02ffba732bbfb1ab57cf8494d8473f47))
+
+* HDF IO Test Commit ([`920b02f`](https://github.com/BAMresearch/MoDaCor/commit/920b02f61c9e403d3d9114180a3a6bad974a8653))
+
+* Update pyproject.toml ([`7f8d1c7`](https://github.com/BAMresearch/MoDaCor/commit/7f8d1c75cd9fa949ed40364485c4f147e524935d))
+
+* Update pyproject.toml ([`acf17b9`](https://github.com/BAMresearch/MoDaCor/commit/acf17b9f1196a0bf1c2b282a0bf706feec3573bd))
+
+* Update pyproject.toml ([`70eed8a`](https://github.com/BAMresearch/MoDaCor/commit/70eed8a6560791635368186f912dace28727dbd8))
+
+* fix importing BaseData ([`a104dce`](https://github.com/BAMresearch/MoDaCor/commit/a104dce54d9b2fd23932924d0cb846f7c057ce08))
+
+* work on integration ([`125dacd`](https://github.com/BAMresearch/MoDaCor/commit/125dacdc1b3fa37e65f9c8ec6364fee380204af5))
+
+* Attempt to fix tox.ini ([`9a25376`](https://github.com/BAMresearch/MoDaCor/commit/9a253766317bd4b01ea88af1e00bca944ce957af))
+
+* Removed unused imports ([`c5bf606`](https://github.com/BAMresearch/MoDaCor/commit/c5bf6068a18824710b29fa405988a01f2bbe9ed2))
+
+* Updating package metadata ([`eb4b8c8`](https://github.com/BAMresearch/MoDaCor/commit/eb4b8c8683dc4b302eb269469a580eb82cb9abf0))
+
+* Added tests for io sub-package ([`e0f3218`](https://github.com/BAMresearch/MoDaCor/commit/e0f321889e534b9cdf13e524878bd925766094f1))
+
+* WIP on azimuthal integration ([`ca15a97`](https://github.com/BAMresearch/MoDaCor/commit/ca15a976fcec2ac2a31e328e552cb004b3d04a6e))
+
+* updating the pre-commit config ([`6e247b4`](https://github.com/BAMresearch/MoDaCor/commit/6e247b412092e27ef4dec0eb00eaa4db8ee443a7))
+
+* updated BaseData ([`72912e7`](https://github.com/BAMresearch/MoDaCor/commit/72912e78c82924ecec9a8733ec4ca8c9123c184e))
+
+* modifications to basedata and databundle ([`a50204c`](https://github.com/BAMresearch/MoDaCor/commit/a50204c3e620d5b9fa6ff9d038832fca22b0e623))
+
+* clean-up ([`5435da4`](https://github.com/BAMresearch/MoDaCor/commit/5435da48adf365f60901d718c09f0dc9e0e6e6ba))
+
+* put back scalers are normalization factor ([`8ad59ff`](https://github.com/BAMresearch/MoDaCor/commit/8ad59ff9fe3154595dd49e23fb9fbfc209d0a648))
+
+* updating databundle ([`f56265a`](https://github.com/BAMresearch/MoDaCor/commit/f56265af01b476c17589b46aa1028d0b238a22e6))
+
+* Modified HDF Loader ([`1fa7fd0`](https://github.com/BAMresearch/MoDaCor/commit/1fa7fd0ce72ff64851cf72625adb20045e34e575))
+
+* Start of HDF5 Loader ([`3397b14`](https://github.com/BAMresearch/MoDaCor/commit/3397b1419343cfd35b1a9032ce8fe5e20bab4692))
+
+* Error Propagation ([`9e17100`](https://github.com/BAMresearch/MoDaCor/commit/9e1710077c2f60f1eabc196cfb6e348c6e90134c))
+
+* Adding units to normalization ([`1ef17ef`](https://github.com/BAMresearch/MoDaCor/commit/1ef17ef0d6ea4c90278d25b6337f9b3b0aebe24e))
+
+* Requirements Changes ([`d7041d5`](https://github.com/BAMresearch/MoDaCor/commit/d7041d58c667380f1f2152555d52eaef8a5599a9))
+
+* Updated requirements ([`1c2b91c`](https://github.com/BAMresearch/MoDaCor/commit/1c2b91c7d5d0e488849c31ac6a2be50199c09d68))
+
+* Updates to init files ([`663ede2`](https://github.com/BAMresearch/MoDaCor/commit/663ede21782d5cc45d2b63f0a4b5bccacc84694e))
+
+* Added file headers to io and updated definitions ([`fa7996b`](https://github.com/BAMresearch/MoDaCor/commit/fa7996be2688476b861b5909eb082ec0fb25503a))
+
+* Fixing linting ([`6bd4918`](https://github.com/BAMresearch/MoDaCor/commit/6bd4918a13ca9f9247fd80bc1cb8bc63d06670eb))
+
+* Populated io ([`4faa1db`](https://github.com/BAMresearch/MoDaCor/commit/4faa1dbce7c2cfdddc7356e5422a074c8311aeca))
+
+* Error Propagation ([`6f2854c`](https://github.com/BAMresearch/MoDaCor/commit/6f2854cb11c1ff634c88dfabf7f68209a650e96a))
+
+* Error Propagation ([`d0b87f2`](https://github.com/BAMresearch/MoDaCor/commit/d0b87f29e0a39ff81055171aacfc48ead22bfb74))
+
+* Error Propagation ([`d0a040b`](https://github.com/BAMresearch/MoDaCor/commit/d0a040b7bcfcb6d5df8b6a6fb9b27113044e6727))
+
+* Missed comma ([`09fecf1`](https://github.com/BAMresearch/MoDaCor/commit/09fecf11165e805d3470ef0628b5ead7a0eb2137))
+
+* Updates to the logger ([`f09b5df`](https://github.com/BAMresearch/MoDaCor/commit/f09b5df83757a281d50eb143f3c6bd86984b49f2))
+
+* fix renaming of ProcessStep ([`0de2352`](https://github.com/BAMresearch/MoDaCor/commit/0de2352ad4f8e2e26db1099bf0aeed28c52675a9))
+
+* fix relative import error ([`6fa77f4`](https://github.com/BAMresearch/MoDaCor/commit/6fa77f4f518b535d224927a88c959d6f25640afb))
+
+* dynamic requirements.txt ([`90b233b`](https://github.com/BAMresearch/MoDaCor/commit/90b233b63d250cabeb82731316d1b79df9049993))
+
+* fix scatteringdata duplicate and databundle import ([`0a02cbd`](https://github.com/BAMresearch/MoDaCor/commit/0a02cbd9b119f3be445e4c8bdb173bca87ff6929))
+
+* fix imports ([`886002c`](https://github.com/BAMresearch/MoDaCor/commit/886002c3f7f2f6e5320b56eda257e1bddbe26dc7))
+
+* Modified imports ([`7993f93`](https://github.com/BAMresearch/MoDaCor/commit/7993f938806ab4e7d526e4171557a2c01370c831))
+
+* Modifed ProcessStep ([`22d05d1`](https://github.com/BAMresearch/MoDaCor/commit/22d05d1cbbe5080fc934e1ab668c8d59d23fde51))
+
+* Tox modifications ([`b8ee1aa`](https://github.com/BAMresearch/MoDaCor/commit/b8ee1aa88e1b701785aff2ab458716137ead2913))
+
+* databundle ([`1d18bca`](https://github.com/BAMresearch/MoDaCor/commit/1d18bca7e9a3ee2e7d8d4a649dc26bf1051738d4))
+
+* One step further ([`c9e0fd0`](https://github.com/BAMresearch/MoDaCor/commit/c9e0fd0e99a5a5a03a15827261c4df851343eaba))
+
+* Changes for tox ([`142582e`](https://github.com/BAMresearch/MoDaCor/commit/142582e78d3bb5e1fc0ab6576297b9b7af66d6cc))
+
+* fix import all modules ([`5561826`](https://github.com/BAMresearch/MoDaCor/commit/5561826227301d80b5e61f2ff4b9a7ab8cd8fe56))
+
+* fix all relative imports in tests ([`675e504`](https://github.com/BAMresearch/MoDaCor/commit/675e5041dfb01263c36a307b80cc557d569466e1))
+
+* move test into project ... ([`ad171a4`](https://github.com/BAMresearch/MoDaCor/commit/ad171a43ea719c8c780eaca08f016b05191720e4))
+
+* License modification ([`5d331e4`](https://github.com/BAMresearch/MoDaCor/commit/5d331e4747380a5aed4e7b0fd677a4d58ccc9dcc))
+
+* ScatteringData to DataBundle ([`108e8a4`](https://github.com/BAMresearch/MoDaCor/commit/108e8a406520a7c9aef0466c4df3fc133dfdc87e))
+
+* Small updates ([`d176c49`](https://github.com/BAMresearch/MoDaCor/commit/d176c4916a27ef1c914a4085897f2b76dcc91c6c))
+
+* Updated processstep naming and content ([`7ae6ca7`](https://github.com/BAMresearch/MoDaCor/commit/7ae6ca7d78b7f69d3b714ee8be73ab5f5955cab0))
+
+* adding the flow charts ([`e07cb55`](https://github.com/BAMresearch/MoDaCor/commit/e07cb55cfb1139b535e24e96b8a378bb39f5147c))
+
+* typos ([`fb85395`](https://github.com/BAMresearch/MoDaCor/commit/fb85395f9ec5260efad6b7bc20e06e2db8ac8e3d))
+
+* migrate dask array to numpy ([`62fd3b2`](https://github.com/BAMresearch/MoDaCor/commit/62fd3b2652d53226372b152d7452b6ed261eba14))
+
+* implement base dataclass ([`8049030`](https://github.com/BAMresearch/MoDaCor/commit/80490307ddbd9e1c7bee168140139ec039e7e640))
+
+* implement normalization and variances in dict ([`f41c0ab`](https://github.com/BAMresearch/MoDaCor/commit/f41c0ab72ade5ab0e1f7eba3b13b67fc5a7dc9c2))
+
+* modified to use the actual datapoint in basedata now. ([`d9bd951`](https://github.com/BAMresearch/MoDaCor/commit/d9bd9518e1cbf0829bb7df6a30d006e7a569c03d))
+
+* Getting towards a working concept ([`0772d80`](https://github.com/BAMresearch/MoDaCor/commit/0772d80305539be57ff7323ed3360db07e998310))
+
+* something like this ([`dfd97bf`](https://github.com/BAMresearch/MoDaCor/commit/dfd97bfdb1c6ad03ed808c36c5205e8c7f413f95))
+
+* Getting towards a proof-of-principle ([`2a77207`](https://github.com/BAMresearch/MoDaCor/commit/2a772073dfc0445500eb27140f9a1fa55280f1a3))
+
+* more experimentation to explore delayed execution ([`5f365a1`](https://github.com/BAMresearch/MoDaCor/commit/5f365a1c2525a826bcba4c14e3c37763f6cbf335))
+
+* Making changes to classes based on experimentation... ([`1710f40`](https://github.com/BAMresearch/MoDaCor/commit/1710f400fd736aa8377189704fe631f50f70ac1a))
+
+* Added some flow diagrams to help clarify... ([`b17ff22`](https://github.com/BAMresearch/MoDaCor/commit/b17ff22ae01998e94faf9e7ae9b9e7ab8919aba1))
+
+* Update README.rst ([`1e658e2`](https://github.com/BAMresearch/MoDaCor/commit/1e658e22c527e1a3f48ca87a853e58a2bfc63130))
+
+* Changed name of note to step_note ([`accd141`](https://github.com/BAMresearch/MoDaCor/commit/accd141a42228d1ad811bc68dfd5295b1eef73d9))
+
+* fixed tests and validator. ([`4b768e6`](https://github.com/BAMresearch/MoDaCor/commit/4b768e6db2c5393707cf4c2d9849ca274b959585))
+
+* Changed naming slightly, and added a message handler placeholder ([`0880270`](https://github.com/BAMresearch/MoDaCor/commit/08802703c66c9e087dbca7b35ad6c832ca7e255b))
+
+* changes broke tests ([`e81e369`](https://github.com/BAMresearch/MoDaCor/commit/e81e3698651ca0a7fdada91a090ad85dc5c96be7))
+
+* test implementation of basedata and processstep dataclasses ([`eb6dcc4`](https://github.com/BAMresearch/MoDaCor/commit/eb6dcc45a6aca867b78e57c8aa7d81a8b3b909da))
+
+## v0.0.0 (2025-02-13)
+
+### Unknown
+
+* Initial commit ([`4753f2a`](https://github.com/BAMresearch/MoDaCor/commit/4753f2a4a718cb1fbd5979f252ee90e4504866f0))

modacor-1.0.0/CONTRIBUTING.md

@@ -0,0 +1,88 @@
+
+# Contributing
+
+Contributions are welcome, and they are greatly appreciated! Every little bit helps, and credit will always be given.
+
+## Bug reports
+
+When [reporting a bug](https://github.com/BAMresearch/modacor/issues) please include:
+
+- Your operating system name and version.
+- Any details about your local setup that might be helpful in troubleshooting.
+- Detailed steps to reproduce the bug.
+
+## Documentation improvements
+
+MoDaCor could always use more documentation, whether as part of the official docs, in docstrings, or even on the web in
+blog posts, articles, and similar resources.
+
+## Feature requests and feedback
+
+The best way to send feedback is to file an issue at <https://github.com/BAMresearch/modacor/issues>.
+
+If you are proposing a feature:
+
+- Explain in detail how it would work.
+- Keep the scope as narrow as possible, to make it easier to implement.
+- Remember that this is a volunteer-driven project, and that code contributions are welcome.
+
+## Development
+
+To set up `modacor` for local development:
+
+1. Fork [modacor](https://github.com/BAMresearch/modacor) (look for the "Fork" button).
+2. Clone your fork locally:
+
+   ```bash
+   git clone git@github.com:YOURGITHUBNAME/modacor.git
+   ```
+
+3. Create a branch for local development:
+
+   ```bash
+   git checkout -b name-of-your-bugfix-or-feature
+   ```
+
+   Now you can make your changes locally.
+
+4. When you're done making changes run all the checks and docs builder with
+   [`tox`](https://tox.wiki/en/latest/installation.html) in one command:
+
+   ```bash
+   tox
+   ```
+
+5. Commit your changes and push your branch to GitHub:
+
+   ```bash
+   git add .
+   git commit -m "Your detailed description of your changes."
+   git push origin name-of-your-bugfix-or-feature
+   ```
+
+6. Submit a pull request through the GitHub website.
+
+### Pull request guidelines
+
+If you need some code review or feedback while you're developing the code just make the pull request.
+
+For merging, you should:
+
+1. Include passing tests (run `tox`).
+2. Update documentation when there's new API, functionality, etc.
+3. Add a note to `CHANGELOG.md` about the changes.
+4. Add yourself to `AUTHORS.md`.
+
+### Tips
+
+To run a subset of tests:
+
+```bash
+tox -e envname -- pytest -k test_myfeature
+```
+
+To run all the test environments in *parallel*:
+
+```bash
+tox -p auto
+```

modacor-1.0.0/LICENSE

@@ -0,0 +1,11 @@
+BSD 3-Clause License
+
+Copyright (c) 2025-2026, Brian R. Pauw and Tim Snow. 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.

modacor-1.0.0/LICENSE.txt

@@ -0,0 +1,11 @@
+Copyright 2025 MoDaCor developers
+
+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.

modacor-1.0.0/MANIFEST.in

@@ -0,0 +1,23 @@
+graft docs
+exclude docs/reference/autosummary/*
+graft src
+graft ci
+graft tests
+graft testdata
+graft scripts
+
+include .editorconfig
+include .pre-commit-config.yaml
+include .copier-answers.yml
+include .flake8
+include tox.ini
+include templates/*.j2
+include notebooks/*.ipynb
+
+include *.md
+include AUTHORS.rst
+include CONTRIBUTING.rst
+include LICENSE
+
+global-exclude *.py[cod] __pycache__/* *.so *.dylib .DS_Store */.ipynb_checkpoints/* .*.kate-swp
+