@Test public void testDoubleBondSupport7() throws StructureBuildingException { Fragment f = fm.buildSMILES("C(=C(C=CC(=O)O)C(=O)O)C(=O)O"); fm.makeHydrogensExplicit(); f.findBond(1, 2).setBondStereoElement(new Atom[]{f.getAtomByID(11), f.getAtomByID(1), f.getAtomByID(2), f.getAtomByID(8)}, BondStereoValue.TRANS); f.findBond(3, 4).setBondStereoElement(new Atom[]{f.getAtomByID(2), f.getAtomByID(3), f.getAtomByID(4), f.getAtomByID(5)}, BondStereoValue.TRANS); String smiles = SMILESWriter.generateSmiles(f); if (!smiles.equals("C(=C(/C=C/C(=O)O)\\C(=O)O)/C(=O)O") && !smiles.equals("C(=C(\\C=C\\C(=O)O)/C(=O)O)\\C(=O)O")){ fail(smiles +" did not correspond to one of the expected SMILES strings"); } }
static String generateSmiles(Fragment structure) { return new SMILESWriter(structure, false).writeSmiles(); }
SMILESWriter { static String generateSmiles(Fragment structure) { return new SMILESWriter(structure, false).writeSmiles(); } }
SMILESWriter { static String generateSmiles(Fragment structure) { return new SMILESWriter(structure, false).writeSmiles(); } private  SMILESWriter(Fragment structure, boolean outputExtendedSmiles); }
SMILESWriter { static String generateSmiles(Fragment structure) { return new SMILESWriter(structure, false).writeSmiles(); } private  SMILESWriter(Fragment structure, boolean outputExtendedSmiles);  }
SMILESWriter { static String generateSmiles(Fragment structure) { return new SMILESWriter(structure, false).writeSmiles(); } private  SMILESWriter(Fragment structure, boolean outputExtendedSmiles);   }