pub_soft/rdkit
3
0
Fork 0
mirror of https://github.com/rdkit/rdkit.git synced 2026-06-03 21:44:30 +08:00
Code Issues Packages Projects Releases Wiki Activity
8,476 Commits 44 Branches 202 Tags
master
Commit Graph

3 Commits

Author SHA1 Message Date
paconius
1fe07a5eb7 Add option to draw all CIP codes in DrawMol.cpp (#8609) 
* enable showAllCIPCodes in DrawMol code

* Made consistent with old behavior + add test

* Added python test

* Fixed FREETYPE=OFF tests

* Fixed FREETYPE=OFF tests

* Adjusted pytest

* Enabled JSON drawer option setting + new JSON test

* update JS docs
 2025-07-24 16:46:15 +02:00
Paolo Tosco
a908e616b3 Some miscellaneous MinimalLib enhancements (#4169) 
* - expose SubstructureLibrary to MinimalLib
- expose acceptFailure flag to MinimalLib generate_aligned_coords
- expose merge_query_hs functionality to MinimalLib
- expose kekulize flag to MinimalLib get_mol
- add relevant JS tests

* integrates previous commit

* changes in response to review

Co-authored-by: Paolo Tosco <paolo.tosco@novartis.com>
 2021-05-29 06:23:08 +02:00
Greg Landrum
e7e17adc4e add documentation (#3583) 2020-12-09 13:31:14 +01:00