Greg Landrum f3dc387bc4 merge changes from revs991:996 on Ullmann_9Feb2009 branch; ...

get USE_VFLIB fulling working and make it the default

2009-02-28 16:52:06 +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

This is a sizeable one: change the way BGL is used so that atoms and bonds are stored as bundled properties

2009-02-11 20:19:25 +00:00

list-query.cdxml

initial import

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regress.txt

initial import

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SubstructMatch.cpp

merge changes from revs991:996 on Ullmann_9Feb2009 branch;

2009-02-28 16:52:06 +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

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

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

test2.cpp

setup svn keywords (should have done this before import... grn)

2006-05-06 22:54:39 +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