From: <ha...@us...> - 2010-04-12 12:06:48
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Revision: 12829 http://jmol.svn.sourceforge.net/jmol/?rev=12829&view=rev Author: hansonr Date: 2010-04-12 12:06:42 +0000 (Mon, 12 Apr 2010) Log Message: ----------- version=12.0.RC5_dev # code: org.jmol.api.smilesMatcherInterface # public abstract BitSet[] getSubstructureSetArray(String smiles) # new feature x = within("smiles",smilesString) # returns ARRAY of bitsets -- all matching sets # x = within("smiles", "[C]1[C][C][C][C][C]1") # get all cyclohexane rings # $ print x # ({0 1 3 5 6}) # ({0 2 4:6}) # TODO: add this to read JME cyclohexane rings better? Modified Paths: -------------- trunk/Jmol/src/org/jmol/viewer/Jmol.properties Modified: trunk/Jmol/src/org/jmol/viewer/Jmol.properties =================================================================== --- trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2010-04-12 12:04:32 UTC (rev 12828) +++ trunk/Jmol/src/org/jmol/viewer/Jmol.properties 2010-04-12 12:06:42 UTC (rev 12829) @@ -3,8 +3,11 @@ version=12.0.RC5_dev +# code: org.jmol.api.smilesMatcherInterface +# public abstract BitSet[] getSubstructureSetArray(String smiles) # new feature x = within("smiles",smilesString) # returns ARRAY of bitsets -- all matching sets +# x = within("smiles", "[C]1[C][C][C][C][C]1") # get all cyclohexane rings # $ print x # ({0 1 3 5 6}) # ({0 2 4:6}) This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |