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Fixes #8633 (#8794)

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* Fixes #8633

* changes in response to review
This commit is contained in:
Greg Landrum
2025-09-26 05:33:13 +02:00
committed by GitHub
parent 053a0283f7
commit c15eb1a143
3 changed files with 4 additions and 2 deletions
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ReleaseNotes.md
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@@ -23,6 +23,8 @@ Stephen, yuri@FreeBSD
atom ranks.
- 2D coordinate generation may produce different results for some molecules due
to a change in the way the atom ordering is computed in the depiction code.
- The `includeRingMembership` argument to `GetMorganAtomInvGen()` is now mandatory.
Previously, the default value was False.
- Default ET-version in `ForceFields::CrystalFF::getExperimentalTorsions()` is
changed from 1 to 2.