@Test
@Category(SlowTest.class)
public void testPartialTChargeDescriptor_1_Methoxybutadiene() throws ClassNotFoundException, CDKException,
        java.lang.Exception {

    double[] testResult = {-0.1331, -0.0678, -0.0803, 0.0385, -0.2822, 0.0429, 0.0541, 0.0541, 0.0619, 0.0644,
            0.0891, 0.0528, 0.0528, 0.0528, 0.0528};/*
                                                     * from Petra online:
                                                     * http
                                                     * ://www2.chemie.uni
                                                     * -erlangen
                                                     * .de/services/
                                                     * petra/smiles.phtml
                                                     */
    IAtomicDescriptor descriptor = new PartialTChargePEOEDescriptor();
    IAtomContainer molecule = builder.newInstance(IAtomContainer.class);
    molecule.addAtom(builder.newInstance(IAtom.class, "C"));
    molecule.addAtom(builder.newInstance(IAtom.class, "C"));
    molecule.addBond(0, 1, IBond.Order.DOUBLE);
    molecule.addAtom(builder.newInstance(IAtom.class, "C"));
    molecule.addBond(1, 2, IBond.Order.SINGLE);
    molecule.addAtom(builder.newInstance(IAtom.class, "C"));
    molecule.addBond(2, 3, IBond.Order.DOUBLE);
    molecule.addAtom(builder.newInstance(IAtom.class, "O"));
    molecule.addBond(3, 4, IBond.Order.SINGLE);
    molecule.addAtom(builder.newInstance(IAtom.class, "C"));
    molecule.addBond(4, 5, 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, 0.3);
    }
}