@Test(expected = CDKException.class)
public void testUndefinedPartialCharge() throws Exception {

    String filename = "data/mdl/burden_undefined.sdf";
    InputStream ins = this.getClass().getClassLoader().getResourceAsStream(filename);
    ISimpleChemObjectReader reader = new MDLV2000Reader(ins);
    ChemFile content = reader.read(new ChemFile());
    reader.close();
    List<IAtomContainer> cList = ChemFileManipulator.getAllAtomContainers(content);
    IAtomContainer ac = cList.get(0);
    Assert.assertNotNull(ac);
    addExplicitHydrogens(ac);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(ac);
    Aromaticity.cdkLegacy().apply(ac);
    addExplicitHydrogens(ac);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(ac);
    lpcheck.saturate(ac);
    GasteigerMarsiliPartialCharges peoe = new GasteigerMarsiliPartialCharges();
    peoe.calculateCharges(ac);
}