/** A bug reported for JChemPaint. */ @Test public void testSFBug956923() throws Exception { String smiles = ""; IAtomContainer molecule = new AtomContainer(); SmilesGenerator sg = new SmilesGenerator(); Atom sp2CarbonWithOneHydrogen = new Atom("C"); sp2CarbonWithOneHydrogen.setHybridization(Hybridization.SP2); sp2CarbonWithOneHydrogen.setImplicitHydrogenCount(1); molecule.addAtom(sp2CarbonWithOneHydrogen); molecule.addAtom((Atom) sp2CarbonWithOneHydrogen.clone()); molecule.addAtom((Atom) sp2CarbonWithOneHydrogen.clone()); molecule.addAtom((Atom) sp2CarbonWithOneHydrogen.clone()); molecule.addAtom((Atom) sp2CarbonWithOneHydrogen.clone()); molecule.addAtom((Atom) sp2CarbonWithOneHydrogen.clone()); molecule.addBond(0, 1, IBond.Order.SINGLE); molecule.addBond(1, 2, IBond.Order.SINGLE); molecule.addBond(2, 3, IBond.Order.SINGLE); molecule.addBond(3, 4, IBond.Order.SINGLE); molecule.addBond(4, 5, IBond.Order.SINGLE); molecule.addBond(5, 0, IBond.Order.SINGLE); try { smiles = sg.createSMILES(molecule); } catch (Exception exc) { Assert.fail(exc.getMessage()); } Assert.assertEquals("c1ccccc1", smiles); }