Greg Landrum bbd615497a Add a MolBundle class (#1537) ...

* very basics

* add the version to get all matches

* better exceptions, including tests

* documentation and actually add the test code

* responses to review

2017-09-11 13:04:58 -04:00

..

testExecs

initial import

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

bench.cpp

first pass, using google style

2015-11-14 14:58:11 +01:00

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

first pass, using google style

2015-11-14 14:58:11 +01:00

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

Add a MolBundle class (#1537)

2017-09-11 13:04:58 -04:00

SubstructMatch.h

Add a MolBundle class (#1537)

2017-09-11 13:04:58 -04:00

SubstructUtils.cpp

Fixes #1489 (#1556)

2017-09-11 08:34:25 -04:00

SubstructUtils.h

first pass, using google style

2015-11-14 14:58:11 +01:00

test1.cpp

Fixes #1489 (#1556)

2017-09-11 08:34:25 -04:00

test_list.py

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

ullmann.hpp

remove exe property from source files

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

UnitTestSubstruct.py

Issue1071/yapf (#1078)

2016-09-23 04:58:46 +02:00

vf2.hpp

Fixes #409

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