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4 Commits

Author SHA1 Message Date
Steve Roughley
710bdfa60b Added AtomComparator.AtomCompareAnyHeavyAtom and test cases to FMCS code (#2656) 
* Added AtomComparator.AtomCompareAnyHeavyAtom and test cases to FMCS code

* Added AtomComparator.AtomCompareAnyHeavyAtom

* Added AtomComparator.AtomCompareAnyHeavyAtom - fixed test typo

* Added AtomComparator.AtomCompareAnyHeavyAtom and test cases to FMCS code (2)

* Added AtomComparator.AtomCompareAnyHeavyAtom - fixed test cases

* Added AtomComparator.AtomCompareAnyHeavyAtom and test cases

* Update Code/GraphMol/FMCS/FMCS.cpp

Co-Authored-By: Greg Landrum <greg.landrum@gmail.com>

* Reverted tabs to 4 spaces

* Update FMCS.cpp
 2019-10-03 17:19:22 +02:00
Alexander Savelyev
b0177a4ea1 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
Greg Landrum
7cb35fd5a4 Fixes #397 2014-12-09 06:39:33 +01:00
Greg Landrum
55ad544dde first pass at FMCS in the java wrappers, including a basic test. this is nowhere near done 2014-08-10 08:00:37 +02:00