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
5,592 Commits 44 Branches 202 Tags
appveyor_tuning
Commit Graph

9 Commits

Author SHA1 Message Date
Jan Domański
56234066b8 Conformer GetPos returns a numpy array rather than a tuple of tuples (#1087) 
* Conformer GetPos returns a numpy array rather than a tuple of tuples

* Add missing method binding to GetPositions for a conformer

* Minor fixes
- avoid copying the coordinates,
- add a test
 2016-10-14 05:02:59 +02:00
Brian Kelley
c4610271df Disambiguates call to SetAtomPosition 2015-11-29 20:34:11 -05:00
Greg Landrum
e08e0d16d8 first pass, using google style 2015-11-14 14:58:11 +01:00
Brian Kelley
403a3d6b7c Suppresses Boost warnings 2015-10-18 13:41:03 -04:00
Greg Landrum
ad2365a35a Fixes #545 2015-07-28 15:14:48 +02:00
Greg Landrum
f3fbef45c5 update copyright statements 2010-09-26 17:04:37 +00:00
Greg Landrum
c86ee3fcf6 implement and test feature request 1906758 : 
support dimensionality flag on conformations
https://sourceforge.net/tracker/index.php?func=detail&aid=1906758&group_id=160139&atid=814653
 2008-03-04 07:06:26 +00:00
Greg Landrum
5d03333c22 setup svn keywords (should have done this before import... grn) 2006-05-06 22:54:39 +00:00
Greg Landrum
75a79b6327 initial import 2006-05-06 22:20:08 +00:00