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Improve FullProf verification intensity agreement - #218

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Improve FullProf verification intensity agreement#218
AndrewSazonov wants to merge 27 commits into
developfrom
fullprof-occupancy-notation

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@AndrewSazonov

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The FullProf verification examples now use the corrected occupancy convention and refreshed reference outputs, making intensity comparisons with EasyDiffraction more reliable. Examples that now agree directly no longer apply unnecessary scale fitting, including the Fe time-of-flight pseudo-Voigt case. The documentation also links against the fixed EasyScience Core 2.3.1 API inventory so reference pages resolve consistently.

@AndrewSazonov AndrewSazonov added the [scope] bug Bug report or fix (major.minor.PATCH) label Jul 2, 2026
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Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 90.31%. Comparing base (883c384) to head (2e04369).
⚠️ Report is 127 commits behind head on develop.

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@@             Coverage Diff             @@
##           develop     #218      +/-   ##
===========================================
+ Coverage    82.26%   90.31%   +8.05%     
===========================================
  Files           88      284     +196     
  Lines         5451    24735   +19284     
  Branches       454     2907    +2453     
===========================================
+ Hits          4484    22339   +17855     
- Misses         802     1763     +961     
- Partials       165      633     +468     
Flag Coverage Δ
integration ?
unittests 90.31% <ø> (+17.86%) ⬆️

Flags with carried forward coverage won't be shown. Click here to find out more.

Files with missing lines Coverage Δ
...rc/easydiffraction/analysis/calculators/crysfml.py 69.19% <ø> (+21.05%) ⬆️
...tion/analysis/categories/sequential_fit/default.py 100.00% <ø> (ø)
src/easydiffraction/analysis/minimizers/bumps.py 85.50% <ø> (ø)
src/easydiffraction/core/category.py 95.12% <ø> (-4.88%) ⬇️
src/easydiffraction/core/datablock.py 82.14% <ø> (-3.80%) ⬇️
src/easydiffraction/core/guard.py 87.50% <ø> (+4.40%) ⬆️
src/easydiffraction/core/variable.py 92.90% <ø> (ø)
...ocks/experiment/categories/background/chebyshev.py 81.94% <ø> (ø)
...s/experiment/categories/background/line_segment.py 88.60% <ø> (ø)
.../datablocks/experiment/categories/data/bragg_pd.py 86.05% <ø> (ø)
... and 14 more

... and 305 files with indirect coverage changes

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