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@IAlibay IAlibay commented Oct 23, 2025

Fixes: #1662

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codecov bot commented Oct 24, 2025

Codecov Report

❌ Patch coverage is 75.36232% with 17 lines in your changes missing coverage. Please review.
✅ Project coverage is 92.80%. Comparing base (80cbc22) to head (cef9cb7).

Files with missing lines Patch % Lines
...e/protocols/openmm_afe/equil_binding_afe_method.py 60.00% 16 Missing ⚠️
openfe/protocols/openmm_afe/base.py 90.00% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1614      +/-   ##
==========================================
- Coverage   95.32%   92.80%   -2.52%     
==========================================
  Files         183      183              
  Lines       15765    15803      +38     
==========================================
- Hits        15028    14666     -362     
- Misses        737     1137     +400     
Flag Coverage Δ
fast-tests 92.80% <75.36%> (?)
slow-tests ?

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No API break detected ✅

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Abfe calculations cannot process charged molecules

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