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fix prepare message for RFE#1915

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IAlibay merged 8 commits intomainfrom
fix-setup-messages
Apr 8, 2026
Merged

fix prepare message for RFE#1915
IAlibay merged 8 commits intomainfrom
fix-setup-messages

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@IAlibay IAlibay commented Apr 3, 2026

Fixes prepare message for RFE and AFE Protocols.

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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codecov bot commented Apr 3, 2026

Codecov Report

❌ Patch coverage is 66.66667% with 4 lines in your changes missing coverage. Please review.
✅ Project coverage is 91.32%. Comparing base (41f1684) to head (9938cbb).
⚠️ Report is 2 commits behind head on main.

Files with missing lines Patch % Lines
src/openfe/protocols/openmm_afe/base_afe_units.py 66.66% 2 Missing ⚠️
src/openfe/protocols/openmm_rfe/hybridtop_units.py 66.66% 2 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main    #1915      +/-   ##
==========================================
- Coverage   94.99%   91.32%   -3.68%     
==========================================
  Files         206      206              
  Lines       18287    18296       +9     
==========================================
- Hits        17371    16708     -663     
- Misses        916     1588     +672     
Flag Coverage Δ
fast-tests 91.32% <66.66%> (?)
slow-tests ?

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@jthorton jthorton left a comment

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LGTM!

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@hannahbaumann hannahbaumann left a comment

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Thanks @IAlibay ! Just the one comment, otherwise lgtm!

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github-actions bot commented Apr 8, 2026

No API break detected ✅

@IAlibay IAlibay merged commit fab07ca into main Apr 8, 2026
9 of 10 checks passed
@IAlibay IAlibay deleted the fix-setup-messages branch April 8, 2026 20:04
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3 participants