Greg Landrum
6745264a82
Adds some additional canned atom and bond query definitions ( #1047 )
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* 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
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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;
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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