Greg Landrum 6e2508972c all tests passing

2012-04-21 05:37:34 +00:00

..

testData

cleanup work on file parsers code; add v3K rxn support

2010-06-03 06:59:48 +00:00

Wrap

all tests passing

2012-04-21 05:37:34 +00:00

CMakeLists.txt

get the windows build working

2012-02-11 03:38:17 +00:00

DaylightParser.cpp

add string replacements to smiles and smarts parsers

2011-05-22 10:45:14 +00:00

license.txt

fix stupid typo in the copyright

2007-09-29 06:34:30 +00:00

MDLParser.cpp

make sure to convert atoms from rxn files into queries;

2010-06-17 05:57:18 +00:00

Reaction.cpp

all tests passing

2012-04-21 05:37:34 +00:00

Reaction.h

further improvements to getReactingAtoms()

2012-01-19 08:43:57 +00:00

ReactionDepict.cpp

improve depiction quality by (optionally) doing a bit of chemistry perception

2010-06-23 04:07:23 +00:00

ReactionParser.h

docstring cleanup

2012-01-07 15:10:42 +00:00

ReactionPickler.cpp

update copyright statements

2010-09-26 17:04:37 +00:00

ReactionPickler.h

update copyright statements

2010-09-26 17:04:37 +00:00

ReactionWriter.cpp

make sure to convert atoms from rxn files into queries;

2010-06-17 05:57:18 +00:00

test_list.py

now all tests pass here as well

2009-02-03 05:26:10 +00:00

testReaction.cpp

all tests passing

2012-04-21 05:37:34 +00:00