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naming water and ion residues during solvate #90

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naming water and ion residues during solvate #90

Merge branch 'main' into feature/assign_residue_names
c1f260f
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Codecov / codecov/project succeeded Nov 21, 2025 in 0s

72.61% (+0.28%) compared to 95149b0

View this Pull Request on Codecov

72.61% (+0.28%) compared to 95149b0

Details

Codecov Report

❌ Patch coverage is 83.33333% with 3 lines in your changes missing coverage. Please review.
✅ Project coverage is 72.61%. Comparing base (95149b0) to head (c1f260f).
✅ All tests successful. No failed tests found.

Files with missing lines Patch % Lines
openpharmmdflow/pipeline/sm/pipeline.py 83.33% 3 Missing ⚠️
Additional details and impacted files 
@@            Coverage Diff             @@
##             main      #90      +/-   ##
==========================================
+ Coverage   72.32%   72.61%   +0.28%     
==========================================
  Files          22       22              
  Lines         683      701      +18     
==========================================
+ Hits          494      509      +15     
- Misses        189      192       +3

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