@Test
@Category(SlowTest.class)
public void testPartialPiChargeDescripto4() throws Exception {

    double[] testResult = {0.0};/*
                                 * from Petra online:
                                 * http://www2.chemie.uni-
                                 * erlangen.de/services/petra/smiles.phtml
                                 */
    IAtomicDescriptor descriptor = new PartialPiChargeDescriptor();
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("CCOCCCO");
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
    addExplicitHydrogens(mol);
    lpcheck.saturate(mol);
    for (int i = 0; i < mol.getAtomCount(); i++) {
        double result = ((DoubleResult) descriptor.calculate(mol.getAtom(i), mol).getValue()).doubleValue();
        Assert.assertEquals(testResult[0], result, 0.0001);
    }
}