Greg Landrum ab5224a449 Merge branch 'mol_hash_and_fmcs_Feb2015' ...

Fixes #481

2015-04-18 06:13:09 +02:00

..

Test

Dictionary access is saniztized and optimized.

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

Wrap

restore java and python wrappers. New parameter (matchChiralTag) was added. New function findFMCS_P() receives json parameters

2015-04-10 16:24:58 +03:00

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: add default parameters for AtomCompare and BondCompare

2015-04-17 18:27:54 +03:00

FMCS.h

restore java and python wrappers. New parameter (matchChiralTag) was added. New function findFMCS_P() receives json parameters

2015-04-10 16:24:58 +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

issue #481 was fixed

2015-04-17 18:27:26 +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

issue #481 was fixed

2015-04-17 18:27:26 +03:00