Greg Landrum
4b8caf2ceb
Fixes #409
2015-01-10 07:21:55 +01:00
Greg Landrum
4a14a52674
Fixes #153
2013-11-15 06:47:18 +01:00
Greg Landrum
d07a674fa4
fix and test GitHub issue 15
2013-03-28 12:51:05 +00:00
Greg Landrum
24764635d8
initial support for double bond stereochem in substructure searching
2013-03-11 05:36:00 +00:00
Greg Landrum
414b579b1c
first pass at support for supporting atomic stereochemistry in substructure matches
2013-03-10 07:33:00 +00:00
Greg Landrum
bcf6310f11
an attempt to make handling of recursive SMARTS threadsafe.
...
This passes the tests here and in knime on linux64. Other OSs still need testing
2012-09-29 09:01:43 +00:00
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
f42f479d28
enabling infrastructure for making repeated recursive
...
smarts queries run faster (like vector bindings). Though there is an addition to the smarts parser
exposed here, I do not recommend using it in client code.
2010-06-03 10:02:15 +00:00
Greg Landrum
49ef84ed45
a bunch of fixes to SLN handling
2010-04-11 09:06:52 +00:00
Greg Landrum
96adbc11ea
remove the deprecated assign{Atom,Bond}ChiralCodes functions
2009-08-02 15:33:08 +00:00
Greg Landrum
b418472bd5
cleanup
2009-04-20 08:14:52 +00:00
Greg Landrum
17fa9210e6
merge revs1065:1087 from vf2 branch into trunk
2009-04-18 18:25:27 +00:00
Greg Landrum
30fe77b609
initial commit: passes all tests and seems to be faster than the original code
2009-02-09 16:19:31 +00:00
Greg Landrum
e8f3536845
remove a bunch of compiler warnings
2008-05-26 20:05:57 +00:00
Greg Landrum
d5ffea669d
add support for chirality in substructure searches;
...
this only is going to work in cases where CIP codes have been (i.e. can be)
assigned to atoms.
2006-11-03 06:35:14 +00:00
Greg Landrum
88d596abca
get the AR_MOLGRAPH caching write with substructs; the current implementation introduces a core leak, so it is disabled by default
2006-10-19 05:24:05 +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
