Commit Graph

11 Commits

Author SHA1 Message Date
Greg Landrum
6745264a82 Adds some additional canned atom and bond query definitions (#1047)
* atoms: radical electrons and presence of a chiral tag

* bonds: presence of stereo

* add new atom queries to python wrapper

* add queries for missing atom chiral tags
2016-09-09 10:31:02 -04:00
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
Brian Kelley
93f31d07cd RDKit python API learns Atom/Bond Queries on properties
BondQuery was exposed to python
Atoms and Bonds can now set and Query String/Int/Bool
 and Double properties through python.
2015-03-11 23:22:35 -04:00
Brian Kelley
90696994bc RDKit learns how to make HasPropertyQuery atoms/bonds from python 2015-03-11 20:15:21 -04:00
Greg Landrum
74ee2d5614 more query atom expansions for Issue #183 2013-12-19 05:33:17 +01:00
Greg Landrum
819272f375 initial batch of decent QueryAtom support for python;
Fixes #181
2013-12-17 05:55:18 +01:00
Greg Landrum
3b3d44db16 remove exe property from source files 2011-01-13 04:22:56 +00:00
Greg Landrum
f3fbef45c5 update copyright statements 2010-09-26 17:04:37 +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