Greg Landrum 17fa9210e6 merge revs1065:1087 from vf2 branch into trunk

2009-04-18 18:25:27 +00:00

..

testExecs

initial import

2006-05-06 22:20:08 +00:00

bench.cpp

initial import

2006-05-06 22:20:08 +00:00

bond-query.cdxml

initial import

2006-05-06 22:20:08 +00:00

cmd_match.cpp

initial import

2006-05-06 22:20:08 +00:00

Jamfile

move the MolDiscriminators calculations into Subgraphs in order to remove the lapack dependency from the core molecule code;

2009-04-10 04:09:49 +00:00

list-query.cdxml

initial import

2006-05-06 22:20:08 +00:00

regress.txt

initial import

2006-05-06 22:20:08 +00:00

SubstructMatch.cpp

merge revs1065:1087 from vf2 branch into trunk

2009-04-18 18:25:27 +00:00

SubstructMatch.h

initial commit: passes all tests and seems to be faster than the original code

2009-02-09 16:19:31 +00:00

SubstructUtils.cpp

merge changes from revs991:996 on Ullmann_9Feb2009 branch;

2009-02-28 16:52:06 +00:00

SubstructUtils.h

merge changes from revs991:996 on Ullmann_9Feb2009 branch;

2009-02-28 16:52:06 +00:00

test1.cpp

merge revs1065:1087 from vf2 branch into trunk

2009-04-18 18:25:27 +00:00

test_list.py

now all tests pass here as well

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

ullmann.hpp

use vertex degree to prune matches

2009-02-09 16:49:26 +00:00

UnitTestSubstruct.py

initial import

2006-05-06 22:20:08 +00:00

vf2.hpp

merge revs1065:1087 from vf2 branch into trunk

2009-04-18 18:25:27 +00:00