pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-04 21:54:27 +08:00
Code Issues Packages Projects Releases Wiki Activity
8,476 Commits 44 Branches 202 Tags
master
Commit Graph

2 Commits

Author SHA1 Message Date
David Cosgrove
d54d0c5a10 CanonicalizeConformer inverts structure (#8734) 
* Different test for possible coords inversion.

* Typo.

* Comment in test.

---------

Co-authored-by: David Cosgrove <david@cozchemix.co.uk>
 2025-08-27 17:12:08 +02:00
Greg Landrum
315939f7ae Fix inversion of stereo with canonicalizeConformer (#7878) 
* add test for conformer canonicalization inverting stereo

* Fix problem with canonicalizeConformer inverting stereo

* response to review
cleanup
fix the other tests affected by this change
 2024-10-10 09:57:39 -04:00