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

    double[] testResult = {0.0, 0.0, 0.0, 0.0, 0.0};/*
                                                     * from Petra online:
                                                     * http
                                                     * ://www2.chemie.uni
                                                     * -erlangen
                                                     * .de/services/
                                                     * petra/smiles.phtml
                                                     */
    IAtomicDescriptor descriptor = new PartialPiChargeDescriptor();
    IAtomContainer molecule = builder.newInstance(IAtomContainer.class);
    molecule.addAtom(new Atom("F"));
    molecule.addAtom(new Atom("C"));
    molecule.addBond(0, 1, IBond.Order.SINGLE);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(molecule);
    addExplicitHydrogens(molecule);
    lpcheck.saturate(molecule);
    for (int i = 0; i < molecule.getAtomCount(); i++) {
        double result = ((DoubleResult) descriptor.calculate(molecule.getAtom(i), molecule).getValue())
                .doubleValue();
        Assert.assertEquals(testResult[i], result, 0.0001);
    }
}