From: <eg...@us...> - 2007-10-30 16:22:50
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Revision: 9263 http://cdk.svn.sourceforge.net/cdk/?rev=9263&view=rev Author: egonw Date: 2007-10-30 09:22:47 -0700 (Tue, 30 Oct 2007) Log Message: ----------- Fixed SMILES, 'c1cccn1' is not a valid SMILES. Modified Paths: -------------- trunk/cdk/src/org/openscience/cdk/test/smiles/SmilesParserTest.java Modified: trunk/cdk/src/org/openscience/cdk/test/smiles/SmilesParserTest.java =================================================================== --- trunk/cdk/src/org/openscience/cdk/test/smiles/SmilesParserTest.java 2007-10-30 16:04:46 UTC (rev 9262) +++ trunk/cdk/src/org/openscience/cdk/test/smiles/SmilesParserTest.java 2007-10-30 16:22:47 UTC (rev 9263) @@ -619,11 +619,12 @@ /** * A bug found with JCP. * - * @cdk.bug 956929 + * @cdk.bug 956929 + * @cdk.inchi InChI=1/C4H5N/c1-2-4-5-3-1/h1-5H */ @org.junit.Test (timeout=1000) public void testPyrole() throws Exception { - String smiles = "c1cccn1"; + String smiles = "c1ccc[NH]1"; IMolecule mol = sp.parseSmiles(smiles); StructureDiagramGenerator sdg=new StructureDiagramGenerator(mol); This was sent by the SourceForge.net collaborative development platform, the world's largest Open Source development site. |