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Align IUCr CIF tags and report export #184

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Merged
AndrewSazonov merged 36 commits into from
May 26, 2026

Update IUCr plan ADR references

3320d33
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Merged

Align IUCr CIF tags and report export #184

Update IUCr plan ADR references
3320d33
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Codecov / codecov/project succeeded May 26, 2026 in 1s

85.60% (+0.09%) compared to 5a6fea2

View this Pull Request on Codecov

85.60% (+0.09%) compared to 5a6fea2

Details

Codecov Report

❌ Patch coverage is 87.61755% with 158 lines in your changes missing coverage. Please review.
✅ Project coverage is 85.60%. Comparing base (5a6fea2) to head (3320d33).

Files with missing lines Patch % Lines
src/easydiffraction/io/cif/iucr_writer.py 83.00% 65 Missing and 38 partials ⚠️
src/easydiffraction/io/cif/iucr_transformers.py 88.23% 12 Missing and 10 partials ⚠️
src/easydiffraction/analysis/analysis.py 90.90% 6 Missing and 6 partials ⚠️
src/easydiffraction/report/check.py 83.07% 8 Missing and 3 partials ⚠️
src/easydiffraction/report/report.py 66.66% 7 Missing ⚠️
src/easydiffraction/io/cif/serialize.py 95.89% 2 Missing and 1 partial ⚠️
Additional details and impacted files

Impacted file tree graph

@@             Coverage Diff             @@
##           develop     #184      +/-   ##
===========================================
+ Coverage    85.50%   85.60%   +0.09%     
===========================================
  Files          213      217       +4     
  Lines        17013    18199    +1186     
  Branches      1985     2133     +148     
===========================================
+ Hits         14547    15579    +1032     
- Misses        1693     1791      +98     
- Partials       773      829      +56
Files with missing lines Coverage Δ
...diffraction/analysis/categories/aliases/default.py 100.00% <ø> (ø)
...raction/analysis/categories/constraints/default.py 95.00% <ø> (ø)
...raction/analysis/categories/fit_result/bayesian.py 100.00% <ø> (ø)
...ydiffraction/analysis/categories/fit_result/lsq.py 100.00% <100.00%> (ø)
...action/analysis/categories/fitting_mode/default.py 100.00% <ø> (ø)
...ffraction/analysis/categories/joint_fit/default.py 100.00% <ø> (ø)
...ydiffraction/analysis/categories/minimizer/base.py 83.67% <ø> (ø)
...ion/analysis/categories/minimizer/bayesian_base.py 100.00% <ø> (ø)
...diffraction/analysis/categories/minimizer/emcee.py 98.03% <ø> (ø)
...fraction/analysis/categories/minimizer/lsq_base.py 100.00% <ø> (ø)
... and 25 more
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