Greg Landrum
d80ab78f70
initial pass at this
2013-07-15 17:04:15 +02:00
Greg Landrum
c36547010a
Fix #64
2013-07-09 05:40:55 +02:00
Greg Landrum
9ff479838c
fix and test issue 264
2012-11-17 06:49:38 +00:00
Greg Landrum
4b40a7d3f4
a bit more robustification around issue 3525000b
2012-05-09 13:41:22 +00:00
Greg Landrum
03ecdbc1cc
fix and test issue 3525000
2012-05-09 13:13:46 +00:00
Greg Landrum
5f85129f22
initial support for clang
...
this is minor build-system variations and some code cleanup
the python wrapper still needs cleanup and
the sln stuff doesn't work at all under clang due to weirdness with boost::regex
2011-05-25 19:40:31 +00:00
Greg Landrum
f3fbef45c5
update copyright statements
2010-09-26 17:04:37 +00:00
Greg Landrum
0b94555f88
fix (and test) potential crashing bug
...
with use of close() in SDWriters
2010-08-30 05:00:58 +00:00
Greg Landrum
3f08f58208
add close() method to writers
2010-07-28 04:29:58 +00:00
Greg Landrum
73fccfd26f
add a few simple tests for the mol file parity handling
2009-01-21 06:05:13 +00:00
Greg Landrum
3c24365856
allow _Names to be left out of Smiles writer output (sf.net feature request 2039278)
2008-08-12 19:25:38 +00:00
Greg Landrum
96e8412e8d
support isomeric smiles from the SmilesWriter
2008-07-17 08:20:27 +00:00
Greg Landrum
28c3224c9b
MolFileParser: move the chirality setting inside the sanitization test
...
FileParsers.vcproj: remove optimization (under vc++) for two files. This is a "fix" for what I believe to be a vc++ compiler bug. See issue 1607290 (http://sourceforge.net/tracker/index.php?func=detail&aid=1607290&group_id=160139&atid=814650 )
testMolWriter.cpp: update memory corruption test
2006-12-21 04:45:37 +00:00
Greg Landrum
47a62846e7
test for memory corruption
2006-12-17 15:32:48 +00:00
Greg Landrum
a023b862aa
support direct passing of streams
2006-11-19 06:46:58 +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
