Alexander Savelyev 11105660c8 fmcs: fixes #631 with chiralirty

2015-10-07 14:40:31 +03:00

..

Test

Dictionary access is saniztized and optimized.

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

Wrap

release the GIL before MCS

2015-08-28 15:59:33 +02:00

CMakeLists.txt

install missing Graph.h header file

2015-04-12 17:43:42 +02:00

Composition2N.h

reformat code

2014-07-22 03:34:19 +02:00

DebugTrace.h

fmcs cosmetic changes. code clean-up. unit tests

2014-08-14 22:11:44 +04:00

DuplicatedSeedCache.h

reformat code

2014-07-22 03:34:19 +02:00

FMCS.cpp

fmcs: fixes #631 with chiralirty

2015-10-07 14:40:31 +03:00

FMCS.h

fmcs: implement adding an initial seed structure

2015-08-25 14:21:04 +03:00

Graph.h

chirality flag was implemented for fmcs() function

2015-03-30 18:17:57 +03:00

MatchTable.h

reformat code

2014-07-22 03:34:19 +02:00

MaximumCommonSubgraph.cpp

fmcs: fixes #631 with chiralirty

2015-10-07 14:40:31 +03:00

MaximumCommonSubgraph.h

request notes were fixed. chirality algorithm was slighlty improved

2015-04-06 19:53:19 +03:00

RingMatchTableSet.h

chirality flag was implemented for fmcs() function

2015-03-30 18:17:57 +03:00

Seed.cpp

fmcs cosmetic changes. code clean-up. unit tests

2014-08-14 22:11:44 +04:00

Seed.h

fmcs cosmetic changes. code clean-up. unit tests

2014-08-14 22:11:44 +04:00

SeedSet.h

fmcs cosmetic changes. code clean-up. unit tests

2014-08-14 22:11:44 +04:00

SubstructMatchCustom.cpp

chirality flag was implemented for fmcs() function

2015-03-30 18:17:57 +03:00

SubstructMatchCustom.h

chirality flag was implemented for fmcs() function

2015-03-30 18:17:57 +03:00

SubstructureCache.h

fmcs cosmetic changes. code clean-up. unit tests

2014-08-14 22:11:44 +04:00

Target.h

fmcs cosmetic changes. code clean-up. unit tests

2014-08-14 22:11:44 +04:00

TargetMatch.h

fmcs cosmetic changes. code clean-up. unit tests

2014-08-14 22:11:44 +04:00

testFMCS_Unit.cpp

fmcs: fixes #631 with chiralirty

2015-10-07 14:40:31 +03:00