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remove warning for element changes#1965

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atravitz wants to merge 6 commits into
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maint/remove_element_change_warning
Open

remove warning for element changes#1965
atravitz wants to merge 6 commits into
mainfrom
maint/remove_element_change_warning

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@atravitz atravitz commented Apr 27, 2026

resolves #1961

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).

Developers certificate of origin

Comment thread src/openfe/tests/protocols/openmm_rfe/test_hybrid_top_validation.py Outdated
@atravitz atravitz requested review from IAlibay and hannahbaumann and removed request for hannahbaumann April 27, 2026 18:10
@atravitz atravitz added this to the 1.12.0 milestone Apr 27, 2026
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codecov Bot commented Apr 27, 2026

Codecov Report

✅ All modified and coverable lines are covered by tests.
✅ Project coverage is 90.50%. Comparing base (5347082) to head (9facb94).

Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1965      +/-   ##
==========================================
- Coverage   94.94%   90.50%   -4.44%     
==========================================
  Files         216      216              
  Lines       20481    20462      -19     
==========================================
- Hits        19445    18520     -925     
- Misses       1036     1942     +906     
Flag Coverage Δ
fast-tests 90.50% <ø> (?)
slow-tests ?

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Thanks @atravitz , lgtm! I think a news entry would be great for this, but I'll already approve the PR to not block things.

Comment thread src/openfe/tests/protocols/openmm_rfe/test_hybrid_top_validation.py Outdated
@hannahbaumann hannahbaumann self-assigned this Apr 28, 2026
Comment thread src/openfe/tests/protocols/openmm_rfe/test_hybrid_top_validation.py Outdated
@atravitz atravitz requested a review from IAlibay May 22, 2026 15:38
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No API break detected ✅

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Remove warning for element changes

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