Paolo Tosco eaa187b03d - added ResonanceMolSupplier ...

- added overloaded SubstructMatch() version supporting ResonanceMolSupplier
- added relevant Python wrappers
- added C++/Python tests

2015-10-04 23:21:28 +01:00

..

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

- added ResonanceMolSupplier

2015-10-04 23:21:28 +01:00

SubstructMatch.h

- added ResonanceMolSupplier

2015-10-04 23:21:28 +01:00

SubstructUtils.cpp

Dictionary access is saniztized and optimized.

2015-01-15 12:23:29 -05:00

SubstructUtils.h

switch to using references to smart pointers for the Match functions;

2014-05-10 06:21:27 +02:00

test1.cpp

Dictionary access is saniztized and optimized.

2015-01-15 12:23:29 -05:00

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

Fixes #409

2015-01-10 07:21:55 +01:00