SmilesGenerator { @Deprecated public SmilesGenerator() { this(SmiFlavor.Default); } @Deprecated  SmilesGenerator();  SmilesGenerator(int flavour); SmilesGenerator aromatic(); @Deprecated SmilesGenerator withAtomClasses(); static SmilesGenerator generic(); static SmilesGenerator isomeric(); static SmilesGenerator unique(); static SmilesGenerator absolute(); @Deprecated String createSMILES(IAtomContainer molecule); @Deprecated String createSMILES(IReaction reaction); String create(IAtomContainer molecule); String create(IAtomContainer molecule, int[] order); static String create(IAtomContainer molecule, int flavour, int[] order); @Deprecated String createReactionSMILES(IReaction reaction); String create(IReaction reaction); String create(IReaction reaction, int[] ordering); @Deprecated void setUseAromaticityFlag(boolean useAromaticityFlag); static Comparator<IAtom> createComparator(final IAtomContainer mol,
                                                     final int flavor);  }
@Test public void testSmilesGenerator() throws Exception { IAtomContainer mol2 = TestMoleculeFactory.makeAlphaPinene(); SmilesGenerator sg = new SmilesGenerator(); addImplicitHydrogens(mol2); String smiles2 = sg.create(mol2); Assert.assertNotNull(smiles2); Assert.assertEquals("C1(=CCC2CC1C2(C)C)C", smiles2); }