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Improve parameter discoverability, constraint semantics, and CIF output#172

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AndrewSazonov merged 11 commits into
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misc
May 14, 2026
Merged

Improve parameter discoverability, constraint semantics, and CIF output#172
AndrewSazonov merged 11 commits into
developfrom
misc

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This PR improves API discoverability and parameter inspection across the project by adding help() coverage for display and summary facades, hiding large loop-backed categories from parameter summary views, and adding a Quick Reference page for common workflows.

It also clarifies fitting semantics by renaming constraint state flags to distinguish user-defined constraints from symmetry-imposed constraints, aligning fittable displays with actual refinability, and fixing CIF/identity issues so loop-backed items resolve the correct datablock path and empty category fragments do not introduce blank sections in show_as_cif() output.

@AndrewSazonov AndrewSazonov added the [scope] enhancement Adds/improves features (major.MINOR.patch) label May 14, 2026
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codecov Bot commented May 14, 2026

Codecov Report

❌ Patch coverage is 91.82390% with 13 lines in your changes missing coverage. Please review.
✅ Project coverage is 86.32%. Comparing base (efadbcd) to head (c566d6e).
⚠️ Report is 1 commits behind head on develop.

Files with missing lines Patch % Lines
src/easydiffraction/utils/utils.py 86.53% 2 Missing and 5 partials ⚠️
src/easydiffraction/analysis/analysis.py 90.24% 0 Missing and 4 partials ⚠️
...ablocks/structure/categories/atom_sites/default.py 77.77% 2 Missing ⚠️
Additional details and impacted files

Impacted file tree graph

@@             Coverage Diff             @@
##           develop     #172      +/-   ##
===========================================
+ Coverage    86.29%   86.32%   +0.02%     
===========================================
  Files          158      158              
  Lines        12138    12179      +41     
  Branches      1394     1400       +6     
===========================================
+ Hits         10475    10513      +38     
- Misses        1154     1155       +1     
- Partials       509      511       +2     
Flag Coverage Δ
integration 70.69% <85.53%> (+<0.01%) ⬆️
unittests 78.07% <87.42%> (+0.27%) ⬆️

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

Files with missing lines Coverage Δ
src/easydiffraction/analysis/fitting.py 96.49% <ø> (ø)
src/easydiffraction/analysis/sequential.py 71.23% <100.00%> (ø)
src/easydiffraction/core/collection.py 96.38% <100.00%> (+0.33%) ⬆️
src/easydiffraction/core/datablock.py 87.77% <100.00%> (ø)
src/easydiffraction/core/singleton.py 82.00% <100.00%> (ø)
src/easydiffraction/core/variable.py 90.94% <100.00%> (ø)
...easydiffraction/crystallography/crystallography.py 89.21% <100.00%> (ø)
.../datablocks/experiment/categories/data/bragg_pd.py 98.21% <100.00%> (ø)
.../datablocks/experiment/categories/data/total_pd.py 97.60% <100.00%> (ø)
...datablocks/experiment/categories/refln/bragg_sc.py 97.97% <100.00%> (ø)
... and 8 more
🚀 New features to boost your workflow:
  • ❄️ Test Analytics: Detect flaky tests, report on failures, and find test suite problems.

@AndrewSazonov AndrewSazonov merged commit a6e8099 into develop May 14, 2026
24 of 25 checks passed
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