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

..

1oir_canon.mol

Fix inversion of stereo with canonicalizeConformer (#7878)

2024-10-10 09:57:39 -04:00

1oir.mol

initial import

2006-05-06 22:20:08 +00:00

3-cyclohexylpyridine.mol

- added getters/setters for bond lengths, angles, dihedrals

2013-10-15 11:59:08 +02:00

github1262_1.mol

Fix/github1262 (#1265)

2017-01-22 05:49:52 +01:00

github1262_2.mol

Fix/github1262 (#1265)

2017-01-22 05:49:52 +01:00

github1262_3.mol

Fix/github1262 (#1265)

2017-01-22 05:49:52 +01:00

github1908_1.mol

Fixes #1908 (#1912)

2018-06-14 18:40:10 -04:00

github1908_2.mol

Fixes #1908 (#1912)

2018-06-14 18:40:10 -04:00

github4302.sdf

fixes #4302 (#4303)

2021-07-10 05:06:25 +02:00