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[DNM] debug ligand network roundtripping#1861

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atravitz wants to merge 2 commits intomainfrom
fix/ligand_network_names_dropped
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[DNM] debug ligand network roundtripping#1861
atravitz wants to merge 2 commits intomainfrom
fix/ligand_network_names_dropped

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@atravitz atravitz commented Mar 4, 2026

replicating bug identified here: OpenFreeEnergy/gufe#750

seems to be in konnektor, so this PR will likely not get merged, but I should be able to reproduce the bug here.

Checklist

  • All new code is appropriately documented (user-facing code must have complete docstrings).
  • Added a news entry, or the changes are not user-facing.
  • Ran pre-commit: you can run pre-commit locally or comment on this PR with pre-commit.ci autofix.

Manual Tests: these are slow so don't need to be run every commit, only before merging and when relevant changes are made (generally at reviewer-discretion).

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github-actions bot commented Mar 4, 2026

No API break detected ✅

@atravitz atravitz changed the title [WIP] fix ligand network roundtripping [WIP] debug ligand network roundtripping Mar 4, 2026
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codecov bot commented Mar 4, 2026

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 92.76%. Comparing base (d0cc4c7) to head (230ba2f).

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1861      +/-   ##
==========================================
- Coverage   95.00%   92.76%   -2.24%     
==========================================
  Files         204      204              
  Lines       17640    17651      +11     
==========================================
- Hits        16758    16374     -384     
- Misses        882     1277     +395     
Flag Coverage Δ
fast-tests 92.76% <100.00%> (?)
slow-tests ?

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@atravitz
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atravitz commented Mar 4, 2026

yay, it breaks as expected! (passes on ubuntu, breaks on macos)

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