From: <ha...@us...> - 2010-06-06 02:50:23
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Revision: 13295 http://jmol.svn.sourceforge.net/jmol/?rev=13295&view=rev Author: hansonr Date: 2010-06-06 02:50:17 +0000 (Sun, 06 Jun 2010) Log Message: ----------- version=12.0.RC17_dev # bug fix: RC16 probably has chirality errors. # bug fix: square planar SP3 chirality inverted Modified Paths: -------------- trunk/Jmol/src/org/jmol/smiles/SmilesParser.java Modified: trunk/Jmol/src/org/jmol/smiles/SmilesParser.java =================================================================== --- trunk/Jmol/src/org/jmol/smiles/SmilesParser.java 2010-06-06 02:42:16 UTC (rev 13294) +++ trunk/Jmol/src/org/jmol/smiles/SmilesParser.java 2010-06-06 02:50:17 UTC (rev 13295) @@ -1113,11 +1113,11 @@ stereo[stereoFlag++] = aH; int nMax = 0; StringBuffer sMore = new StringBuffer(); - for (int i = v.size(); --i >= 0;) { + for (int i = 0; i < v.size(); i++) { JmolEdge bond = (JmolEdge) v.get(i); JmolNode a = bond.getOtherAtom(atom); int n = a.getCovalentBondCount() - a.getCovalentHydrogenCount(); - if (n == 1 && v.size() > 1) { + if (n == 1 && i < v.size() - 1) { StringBuffer s2 = new StringBuffer(); s2.append("("); s2.append(SmilesBond.getBondOrderString(bond.getOrder())); This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |