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

    double[] testResult = {-0.1839, 0.079, -0.1019, 0.0942, 0.0563, 0.0563};/*
                                                                             * from
                                                                             * Petra
                                                                             * online
                                                                             * :
                                                                             * http
                                                                             * :
                                                                             * /
                                                                             * /
                                                                             * www2
                                                                             * .
                                                                             * chemie
                                                                             * .
                                                                             * uni
                                                                             * -
                                                                             * erlangen
                                                                             * .
                                                                             * de
                                                                             * /
                                                                             * services
                                                                             * /
                                                                             * petra
                                                                             * /
                                                                             * smiles
                                                                             * .
                                                                             * phtml
                                                                             */
    IAtomicDescriptor descriptor = new PartialTChargePEOEDescriptor();
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("F-C=C");
    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[i], result, 0.04);
    }
}