@Test
public void testAromaticAndNonAromatic() throws Exception {

    GasteigerPEPEPartialCharges peoe = new GasteigerPEPEPartialCharges();
    String smiles1 = "c1ccccc1";
    String smiles2 = "C1=CC=CC=C1";
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol1 = sp.parseSmiles(smiles1);
    IAtomContainer mol2 = sp.parseSmiles(smiles2);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol1);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol2);
    Aromaticity.cdkLegacy().apply(mol1);
    Aromaticity.cdkLegacy().apply(mol2);
    addExplicitHydrogens(mol1);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol1);
    lpcheck.saturate(mol1);
    addExplicitHydrogens(mol2);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol2);
    lpcheck.saturate(mol2);
    peoe.calculateCharges(mol1);
    peoe.calculateCharges(mol2);
    for (int i = 0; i < mol1.getAtomCount(); i++) {
        Assert.assertEquals("charge on atom " + i + " does not match", mol1.getAtom(i).getCharge(), mol2.getAtom(i)
                .getCharge(), 0.01);
    }
}