Greg Landrum e6826d335a remove some compile warnings

2014-11-03 13:30:00 +01:00

..

testData

ChemReactions: Extented functionality of chemical reactions

2014-08-19 13:08:11 +02:00

Wrap

get the windows build working again

2014-09-30 04:20:27 +01:00

CMakeLists.txt

get the windows build working again

2014-09-30 04:20:27 +01:00

DaylightParser.cpp

ChemReactions: Extented functionality of chemical reactions

2014-08-19 13:08:11 +02:00

license.txt

fix stupid typo in the copyright

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

MDLParser.cpp

ChemReactions: Extented functionality of chemical reactions

2014-08-19 13:08:11 +02:00

MoleculeParser.cpp

ChemReactions: Extented functionality of chemical reactions

2014-08-19 13:08:11 +02:00

Reaction.cpp

ChemReactions: Extented functionality of chemical reactions

2014-08-19 13:08:11 +02:00

Reaction.h

remove a compiler warning

2014-09-18 07:51:33 +02:00

ReactionDepict.cpp

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

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

ReactionFingerprints.cpp

ChemReactions: Extented functionality of chemical reactions

2014-08-19 13:08:11 +02:00

ReactionFingerprints.h

Fix defaults in ReactionFp parameter struct

2014-08-26 16:48:19 +02:00

ReactionParser.h

ChemReactions: Extented functionality of chemical reactions

2014-08-19 13:08:11 +02:00

ReactionPickler.cpp

ChemReactions: Extented functionality of chemical reactions

2014-08-19 13:08:11 +02:00

ReactionPickler.h

ChemReactions: Extented functionality of chemical reactions

2014-08-19 13:08:11 +02:00

ReactionRunner.cpp

ChemReactions: Extented functionality of chemical reactions

2014-08-19 13:08:11 +02:00

ReactionRunner.h

ChemReactions: Extented functionality of chemical reactions

2014-08-19 13:08:11 +02:00

ReactionUtils.cpp

ChemReactionUtils: remove unused/specialized functions from interface

2014-08-25 16:30:09 +02:00

ReactionUtils.h

ChemReactionUtils: remove unused/specialized functions from interface

2014-08-25 16:30:09 +02:00

ReactionWriter.cpp

ChemReactions: Extented functionality of chemical reactions

2014-08-19 13:08:11 +02:00

test_list.py

now all tests pass here as well

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

testReaction.cpp

remove some compile warnings

2014-11-03 13:30:00 +01:00

testReactionFingerprints.cpp

ChemReactions: Extented functionality of chemical reactions

2014-08-19 13:08:11 +02:00