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Cookie #105

Merged
merged 65 commits into from
Sep 4, 2024
Merged

Cookie #105

merged 65 commits into from
Sep 4, 2024

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sbillinge
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stevenhua0320 and others added 30 commits July 29, 2024 11:52
* lint check and change files from python2 to python3

* pre-commit check for these files
* lint check & change to python3 & pre-commit check

* [pre-commit.ci] auto fixes from pre-commit hooks

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* lint check and fix python2 print and exception issues

* [pre-commit.ci] auto fixes from pre-commit hooks

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* finish parenthesizing print statements

* [pre-commit.ci] auto fixes from pre-commit hooks

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* requirements

* clean out __init__

* replace ###

* ins not none in modelevaluators base
* requirements

* basefunction

* all the copyright statements
* clean out inits

* [pre-commit.ci] auto fixes from pre-commit hooks

* dataclusters.py, modelevaluators/aicc and modelparts.py

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* move untrack doc and requirement files

* add requirement in run.txt

* [pre-commit.ci] auto fixes from pre-commit hooks

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* add pyproject.toml

* [pre-commit.ci] auto fixes from pre-commit hooks

* update classifiers pyproject.toml

* Delete setup.py

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* move diffpy files to src dir

* [pre-commit.ci] auto fixes from pre-commit hooks

* add Luke to authors

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* add two LICENSE.rst files into cookiecutter

* fix LICENSE.rst and LICENSE_PDFgui.rst with correct references and year

* resolve pdfdataset.py conflict

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Co-authored-by: Simon Billinge <sbillinge@users.noreply.github.com>
* add untrack files and add cookiecut.rst news

* delete README.txt
* fix py2 -> py3, move deprecation warning

* fix search & split in binary files
* fix broken import in doc, change README to rst file.

* fix os getcwd method
* add test for dataclusters

* define eq method in dataclusters.py

* change parametrization form

* add one more case and change reference name to actual

* delete comment

* add two more tests for DataClusters class function.

* change in docstring for clearer explanation for clear method, remove duplicated case for testing behavior, remove other tests.

* change clear method docstring into numpydoc format. Delete dtype for numpy array.

* remove block

* Make edition to condition on res, refactor for setdata to make behavior of the test passed.

* change condition on res

* add condition on x and res are incompatible, update test.

* revert change in setdata method.
stevenhua0320 and others added 28 commits August 16, 2024 11:07
* deprecation remove

* fix to right behavior
* fix false counting and numpy to int

* [pre-commit.ci] auto fixes from pre-commit hooks

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* change peakextraction function to numpydoc

* pre-commit run

* remove unused import
* numpydoc build for gaussianoverr.py

* [pre-commit.ci] auto fixes from pre-commit hooks

* fix pre-commit

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* numpydoc build for gaussian.py

* [pre-commit.ci] auto fixes from pre-commit hooks

* pre-commit fix

* update for FWHM and maxwidth

* update for starting sentence

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* numpydoc build for base.py

* [pre-commit.ci] auto fixes from pre-commit hooks

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* numpydoc build for ModelCovariance

* update format type and fix indentation issue
* numpydoc build for modelparts.py

* [pre-commit.ci] auto fixes from pre-commit hooks

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
* api workflow build for diffpy.srmise

* [pre-commit.ci] auto fixes from pre-commit hooks

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Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
@sbillinge sbillinge merged commit 6b34124 into main Sep 4, 2024
4 checks passed
@sbillinge sbillinge deleted the Cookie branch September 4, 2024 17:12
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2 participants