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pre-commit.ci autofix |
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A lot of the changes here are just me moving tests into other files - this is mainly so that it's easier to know where things are. I'm following a system close to what the AFE and hybrid top protocols have moved to. Happy to shuffle things as necessary though!
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| def _validate_alchemical_components(alchemical_components: dict[str, list[Component]]) -> None: |
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I merged this with validate_endstates to match how we're doing it in the AFE protocol. We also don't need to do the whole alchemical_components thing anymore since we have the diff method from gufe.
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pre-commit.ci autofix |
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No API break detected ✅ |
Codecov Report❌ Patch coverage is
Additional details and impacted files@@ Coverage Diff @@
## main #1946 +/- ##
==========================================
- Coverage 94.72% 90.65% -4.08%
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Files 208 210 +2
Lines 18779 18808 +29
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- Hits 17789 17050 -739
- Misses 990 1758 +768
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hannahbaumann
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Thanks @IAlibay , this looks great!
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).
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