Brian Kelley 5fe9bbb780 Adds ability to read and parse marvin smarts in mol blocks

2017-12-22 08:20:31 -05:00

..

testData

initial support for reading query files. Python wrapper still needs to be done.

2012-12-17 10:28:35 +00:00

ChemTransforms.cpp

Adds ability to read and parse marvin smarts in mol blocks

2017-12-22 08:20:31 -05:00

ChemTransforms.h

Adds replaceCore function that takes a matchVect (#1013)

2016-08-17 04:40:59 +02:00

CMakeLists.txt

do not include _static versions for test links. This breaks on windows

2013-03-22 05:18:35 +00:00

MolFragmenter.cpp

Cleanup a bunch of compiler warnings (#1697)

2017-12-22 12:59:52 +01:00

MolFragmenter.h

first pass, using google style

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

test_list.py

Issue1071/yapf (#1078)

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

testChemTransforms.cpp

Adds ability to read and parse marvin smarts in mol blocks

2017-12-22 08:20:31 -05:00