@Test
public void testBondPiElectronegativityDescriptor() throws ClassNotFoundException, CDKException,
        java.lang.Exception {

    descriptor = new BondPartialPiChargeDescriptor();
    double[] testResult = {0.0, 0.0};/*
                                      * from Petra online:
                                      * http://www2.chemie
                                      * .uni-erlangen.de/services
                                      * /petra/smiles.phtml
                                      */
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("CF");
    addExplicitHydrogens(mol);
    for (int i = 0; i < 2; i++) {
        double result = ((DoubleResult) descriptor.calculate(mol.getBond(i), mol).getValue()).doubleValue();
        Assert.assertEquals(testResult[i], result, 0.01);
    }
}