Open
Conversation
Member
Author
|
pre-commit.ci autofix |
for more information, see https://pre-commit.ci
Codecov Report❌ Patch coverage is Additional details and impacted files@@ Coverage Diff @@
## main #1914 +/- ##
==========================================
- Coverage 94.99% 91.19% -3.80%
==========================================
Files 206 206
Lines 18287 18323 +36
==========================================
- Hits 17371 16710 -661
- Misses 916 1613 +697
Flags with carried forward coverage won't be shown. Click here to find out more. ☔ View full report in Codecov by Sentry. 🚀 New features to boost your workflow:
|
IAlibay
commented
Apr 8, 2026
Change logging level from WARNING to INFO for mismatching force warning.
IAlibay
commented
Apr 8, 2026
src/openfe/tests/protocols/openmm_rfe/test_hybrid_top_resume.py
Outdated
Show resolved
Hide resolved
Member
Author
|
pre-commit.ci autofix |
|
No API break detected ✅ |
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Fixes #1913
This unfortunately makes system checking much weaker. I don't think there's much of a way around though:
That being said, the exact System check is overly cautious. Generally, this mismatch would happen (where the particle numbers match and the number of forces match and the barostat matches) in cases where someone is actively trying to do something bad (i.e. the risk of it happening accidentally is low to non-existent).
Checklist
newsentry, or the changes are not user-facing.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