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3 Commits

Author SHA1 Message Date
Steve Roughley
8636cb34a5 Added rankAtoms to ROMol wrapper and added Java test case (#1540) 
* Added rankAtoms to ROMol wrapper and added Java test case

* Added missing argument to rankMolAtoms call in wrapper

* Update ROMol.i

* Update ROMol.i

Removed circular reference to Canon

* Update ROMol.i

* Update ROMol.i

* Update SmilesTests.java

* minor stuff to force the CI builds to run again

* Update the test to match the current code
 2019-06-07 15:57:22 +02:00
Greg Landrum
c757ea64b6 add support for replacements in smiles and smarts. 
remove SmilesToMol and SmartsToMol from RDKFuncs (they leaked)
remove useless wrapper file (SmilesParseOps.i).
 2011-07-07 05:45:31 +00:00
Greg Landrum
c7ef21088b add initial version of new swig wrappers 2011-04-07 05:22:00 +00:00