@Test
public void testAromaticBondOrders() throws Exception {

    GasteigerPEPEPartialCharges peoe = new GasteigerPEPEPartialCharges();
    String smiles1 = "c1ccccc1";
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol1 = sp.parseSmiles(smiles1);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol1);
    Aromaticity.cdkLegacy().apply(mol1);
    addExplicitHydrogens(mol1);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol1);
    lpcheck.saturate(mol1);
    List<Boolean> oldBondOrders = new ArrayList<Boolean>();
    for (int i = 0; i < mol1.getBondCount(); i++)
        oldBondOrders.add(mol1.getBond(i).getFlag(CDKConstants.ISAROMATIC));
    peoe.calculateCharges(mol1);
    List<Boolean> newBondOrders = new ArrayList<Boolean>();
    for (int i = 0; i < mol1.getBondCount(); i++)
        newBondOrders.add(mol1.getBond(i).getFlag(CDKConstants.ISAROMATIC));
    for (int i = 0; i < oldBondOrders.size(); i++) {
        Assert.assertEquals("bond " + i + " does not match", oldBondOrders.get(i), newBondOrders.get(i));
    }
}