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@rajarshi
Created April 30, 2009 17:10
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@Test
public void testBug2784343() throws InvalidSmilesException {
SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
String smiles = "C1(C)=C(C)CC(C)C2CC21";
IMolecule mol1 = sp.parseSmiles(smiles);
SmilesGenerator smilesGenerator = new SmilesGenerator();
smilesGenerator.setUseAromaticityFlag(true);
String gensmiles1 = smilesGenerator.createSMILES(mol1);
smiles = "CC1(C)C2C(C)=CCC1C2(C)C";
IMolecule mol2 = sp.parseSmiles(smiles);
String gensmiles2 = smilesGenerator.createSMILES(mol2);
Assert.assertFalse(gensmiles1.equals(gensmiles2));
}
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