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

..

src/org/RDKit

aded swig output dir

2013-11-03 13:05:51 +01:00

src-test/org/RDKit

Added AtomComparator.AtomCompareAnyHeavyAtom and test cases to FMCS code (#2656)

2019-10-03 17:19:22 +02:00

CMakeLists.txt

Add java builds to azure devops (#2460)

2019-05-22 15:31:42 +02:00

GraphMolJava.i

Allow identification of chemistry problems (#2587)

2019-08-28 14:15:55 -07:00

std_list.i

additional functionality required by the knime nodes

2011-04-12 10:09:41 +00:00