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Release: merge develop into master#158

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AndrewSazonov merged 2 commits intomasterfrom
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Apr 27, 2026
Merged

Release: merge develop into master#158
AndrewSazonov merged 2 commits intomasterfrom
develop

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@easyscience easyscience Bot commented Apr 27, 2026

This PR is created automatically to trigger the release pipeline. It merges the accumulated changes from develop into master.

⚠️ It is labeled [bot] release and is excluded from release notes and version bump logic.

easyscience[bot] and others added 2 commits April 14, 2026 14:53
* Add pycrysfml tests

* Change default FCJ asymmetry values

* Add pytest-benchmark dependency

* Add simple non-convoluted pseudo-Voigt TOF profile

* Fix and extend crysfml wrapper with TOF

* Remove cryspy monkey patch for DWF aniso

* Add tests

* Add BEER tutorial

* Update data index hash

* Fix formatting

* Refactor crysfml

* Fix formatting

* Update package structure

* Make profile names more clear

* Add canonical peak profile tags with local aliases

* Update BEER tutorial

* Update unit tests

* Update BEER tutorial

* Only keep anisotropic atoms in atom_site_aniso collection

* Unify selector naming and add concise show type APIs

* Update tests and docs for unified selector type APIs

* Round CIF uncertainties to 2 significant digits

* Strip trailing zeros from CIF float output

* Update tutorials

* Rename analysis CIF keys to match API names

* Add refactor plan

* Replace fit_mode with fit category

* Add experiment calculation category

* Add project display category

* Redesign fit, calculation, and display categories

* Update integration test command to disable benchmarking

* Move pycrysfml tests out of edl

* Remove temporary tutorials

* Migrate ed-8/ed-17 tutorials to fit category API

* Update user guide to fit category selector API

* Fold selector-family taxonomy into architecture

* Fold selector-family taxonomy into architecture

* Remove leftover fit_mode package directory

* Remove merged fit/selector refactor plan

* Remove benchmark-disable flag

* Update tutorials

* Set d_to_tof_quad to zero

* Update tutorial

* Bump dependencies

* Fix tests

* Add new tutorial: BEER at ESS

* Minor fixes
@easyscience easyscience Bot added the [bot] release Automated release PR. Excluded from changelog/versioning label Apr 27, 2026
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codecov Bot commented Apr 27, 2026

Codecov Report

❌ Patch coverage is 81.67331% with 92 lines in your changes missing coverage. Please review.
✅ Project coverage is 88.31%. Comparing base (aaa9927) to head (6bf3deb).
⚠️ Report is 1 commits behind head on master.

Files with missing lines Patch % Lines
...easydiffraction/analysis/categories/fit/default.py 71.26% 22 Missing and 3 partials ⚠️
...rc/easydiffraction/analysis/calculators/crysfml.py 55.81% 13 Missing and 6 partials ⚠️
...locks/experiment/categories/calculation/default.py 82.75% 6 Missing and 4 partials ⚠️
...n/datablocks/experiment/categories/peak/factory.py 76.31% 8 Missing and 1 partial ⚠️
src/easydiffraction/analysis/calculators/cryspy.py 20.00% 3 Missing and 5 partials ⚠️
...ydiffraction/project/categories/display/default.py 90.32% 3 Missing and 3 partials ⚠️
...easydiffraction/datablocks/experiment/item/base.py 92.18% 2 Missing and 3 partials ⚠️
src/easydiffraction/io/cif/serialize.py 86.48% 2 Missing and 3 partials ⚠️
...asydiffraction/datablocks/experiment/item/enums.py 88.00% 2 Missing and 1 partial ⚠️
...c/easydiffraction/analysis/categories/fit/enums.py 0.00% 1 Missing ⚠️
... and 1 more
Additional details and impacted files
@@            Coverage Diff             @@
##           master     #158      +/-   ##
==========================================
- Coverage   88.78%   88.31%   -0.47%     
==========================================
  Files         145      151       +6     
  Lines        8429     8698     +269     
  Branches      855      891      +36     
==========================================
+ Hits         7484     7682     +198     
- Misses        675      722      +47     
- Partials      270      294      +24     
Flag Coverage Δ
integration 74.91% <74.90%> (-0.22%) ⬇️
unittests 79.47% <74.90%> (+0.20%) ⬆️

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@AndrewSazonov AndrewSazonov merged commit d82298a into master Apr 27, 2026
47 of 48 checks passed
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