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17fa9210e65b418eef5de8f09c5b0fc0201f3879
rdkit/Code/GraphMol/Substruct
History
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
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