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Split minimizer settings from fit-result outputs#181

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AndrewSazonov merged 38 commits into
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minimizer-input-output-split-2
May 24, 2026
Merged

Split minimizer settings from fit-result outputs#181
AndrewSazonov merged 38 commits into
developfrom
minimizer-input-output-split-2

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This PR separates user-editable minimizer settings from persisted fit outputs. analysis.minimizer now holds input settings only, while paired analysis.fit_result classes store deterministic and Bayesian result metadata. CIF output follows the same split with _minimizer.* for settings and _fit_result.* for results, and project.display.fit.results() now shows the settings used alongside fit results.

@AndrewSazonov AndrewSazonov added the [scope] maintenance Code/tooling cleanup, no feature or bugfix (major.minor.PATCH) label May 24, 2026
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codecov Bot commented May 24, 2026

Codecov Report

❌ Patch coverage is 91.60305% with 33 lines in your changes missing coverage. Please review.
✅ Project coverage is 85.94%. Comparing base (973214a) to head (288178d).

Files with missing lines Patch % Lines
src/easydiffraction/display/plotting.py 50.00% 5 Missing and 4 partials ⚠️
...rc/easydiffraction/analysis/calculators/crysfml.py 50.00% 6 Missing and 2 partials ⚠️
src/easydiffraction/analysis/sequential.py 82.14% 4 Missing and 1 partial ⚠️
src/easydiffraction/core/singleton.py 55.55% 3 Missing and 1 partial ⚠️
src/easydiffraction/project/display.py 85.00% 2 Missing and 1 partial ⚠️
...fraction/analysis/categories/fit_result/default.py 0.00% 2 Missing ⚠️
src/easydiffraction/analysis/analysis.py 97.77% 1 Missing ⚠️
...diffraction/analysis/categories/fit_result/base.py 98.38% 0 Missing and 1 partial ⚠️
Additional details and impacted files

Impacted file tree graph

@@             Coverage Diff             @@
##           develop     #181      +/-   ##
===========================================
- Coverage    85.95%   85.94%   -0.02%     
===========================================
  Files          206      209       +3     
  Lines        15730    15800      +70     
  Branches      1827     1834       +7     
===========================================
+ Hits         13521    13579      +58     
- Misses        1513     1524      +11     
- Partials       696      697       +1     
Flag Coverage Δ
integration 71.74% <86.51%> (-0.04%) ⬇️
unittests 78.85% <78.37%> (+0.03%) ⬆️

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

Files with missing lines Coverage Δ
src/easydiffraction/analysis/__init__.py 100.00% <100.00%> (ø)
src/easydiffraction/analysis/calculators/pdffit.py 88.67% <100.00%> (+0.21%) ⬆️
...rc/easydiffraction/analysis/categories/__init__.py 100.00% <100.00%> (ø)
...raction/analysis/categories/fit_result/__init__.py 100.00% <100.00%> (ø)
...raction/analysis/categories/fit_result/bayesian.py 100.00% <100.00%> (ø)
...ydiffraction/analysis/categories/fit_result/lsq.py 100.00% <100.00%> (ø)
...ydiffraction/analysis/categories/minimizer/base.py 83.33% <100.00%> (-5.80%) ⬇️
...ion/analysis/categories/minimizer/bayesian_base.py 97.89% <100.00%> (-0.91%) ⬇️
...ction/analysis/categories/minimizer/bumps_dream.py 100.00% <ø> (ø)
...fraction/analysis/categories/minimizer/lsq_base.py 100.00% <100.00%> (ø)
... and 9 more

... and 1 file with indirect coverage changes

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@AndrewSazonov AndrewSazonov merged commit 67c842e into develop May 24, 2026
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@AndrewSazonov AndrewSazonov deleted the minimizer-input-output-split-2 branch June 1, 2026 19:23
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