Greg Landrum 34ab68ca2a introduce QueryBond::QueryMatch, as with QueryAtoms; ...

all tests passing;
performance tests still needed

2014-05-07 05:29:25 +02:00

..

testExecs

initial import

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

bench.cpp

remove exe property from source files

2011-01-13 04:22:56 +00:00

bond-query.cdxml

initial import

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

CMakeLists.txt

initial support for double bond stereochem in substructure searching

2013-03-11 05:36:00 +00:00

cmd_match.cpp

remove exe property from source files

2011-01-13 04:22:56 +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

introduce QueryBond::QueryMatch, as with QueryAtoms;

2014-05-07 05:29:25 +02:00

SubstructMatch.h

introduce QueryBond::QueryMatch, as with QueryAtoms;

2014-05-07 05:29:25 +02:00

SubstructUtils.cpp

introduce QueryBond::QueryMatch, as with QueryAtoms;

2014-05-07 05:29:25 +02:00

SubstructUtils.h

introduce QueryBond::QueryMatch, as with QueryAtoms;

2014-05-07 05:29:25 +02:00

test1.cpp

Fixes #153

2013-11-15 06:47:18 +01:00

test_list.py

now all tests pass here as well

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

ullmann.hpp

remove exe property from source files

2011-01-13 04:22:56 +00:00

UnitTestSubstruct.py

initial import

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

vf2.hpp

comment out the new substruct atom-match caching code; it does not seem to actually make things faster

2013-04-27 03:04:12 +00:00