From: Egon W. <eg...@us...> - 2004-01-09 14:35:22
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Update of /cvsroot/cdk/cdk/src/org/openscience/cdk/test/smiles In directory sc8-pr-cvs1:/tmp/cvs-serv3494/src/org/openscience/cdk/test/smiles Modified Files: SmilesParserTest.java Log Message: Added test for bug 873783 (smiles parser fails on [H+]) Index: SmilesParserTest.java =================================================================== RCS file: /cvsroot/cdk/cdk/src/org/openscience/cdk/test/smiles/SmilesParserTest.java,v retrieving revision 1.16 retrieving revision 1.17 diff -u -r1.16 -r1.17 --- SmilesParserTest.java 14 Nov 2003 14:21:03 -0000 1.16 +++ SmilesParserTest.java 9 Jan 2004 14:35:19 -0000 1.17 @@ -3,7 +3,7 @@ * $Date$ * $Revision$ * - * Copyright (C) 1997-2003 The Chemistry Development Kit (CDK) project + * Copyright (C) 1997-2004 The Chemistry Development Kit (CDK) project * * Contact: cdk...@li... * @@ -462,6 +462,20 @@ } } + /** + * See SF bug #873783. + */ + public void testProton() { + try { + String smiles = "[H+]"; + SmilesParser sp = new SmilesParser(); + Molecule mol = sp.parseSmiles(smiles); + assertEquals(1, mol.getAtomCount()); + assertEquals(1, mol.getAtomAt(0).getFormalCharge()); + } catch (Exception e) { + fail(e.toString()); + } + } /** * The main program for the SmilesParserTest class |