@Test
public void testBenzene() throws Exception {

    String smiles = "c1ccccc1";
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer molecule = sp.parseSmiles(smiles);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(molecule);
    addExplicitHydrogens(molecule);
    Aromaticity.cdkLegacy().apply(molecule);
    lpcheck.saturate(molecule);
    List<Double> carbonIPs = new ArrayList<Double>();
    Iterator<IAtom> atoms = molecule.atoms().iterator();
    while (atoms.hasNext()) {
        IAtom atom = atoms.next();
        if (atom.getSymbol().equals("H")) continue;
        carbonIPs.add(IonizationPotentialTool.predictIP(molecule, atom));
    }
    double firstIP = carbonIPs.get(0);
    for (double ip : carbonIPs) {
        Assert.assertEquals(firstIP, ip, 0.0001);
    }
}