@Test
public void testUndefinedValues() 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());
    List cList = ChemFileManipulator.getAllAtomContainers(content);
    IAtomContainer ac = (IAtomContainer) cList.get(0);
    Assert.assertNotNull(ac);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(ac);
    addExplicitHydrogens(ac);
    Aromaticity.cdkLegacy().apply(ac);
    Exception e = descriptor.calculate(ac).getException();
    Assert.assertNotNull(e);
    // make sure exception was a NPE etc.
    Assert.assertEquals("Could not calculate partial charges: Partial charge not-supported for element: 'As'.",
            e.getMessage());
}