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

    double[] testResult = {0.0265, 0.1268, 0.1872, 0.1564, 0.1564, 0.1347, 0.0013, 0.0013}; /*
                                                                                             * from
                                                                                             * Petra
                                                                                             * online
                                                                                             * :
                                                                                             * http
                                                                                             * :
                                                                                             * /
                                                                                             * /
                                                                                             * www2
                                                                                             * .
                                                                                             * chemie
                                                                                             * .
                                                                                             * uni
                                                                                             * -
                                                                                             * erlangen
                                                                                             * .
                                                                                             * de
                                                                                             * /
                                                                                             * services
                                                                                             * /
                                                                                             * petra
                                                                                             * /
                                                                                             * smiles
                                                                                             * .
                                                                                             * phtml
                                                                                             */
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("C=CCBr");
    addExplicitHydrogens(mol);
    for (int i = 0; i < 8; i++) {
        double result = ((DoubleResult) descriptor.calculate(mol.getBond(i), mol).getValue()).doubleValue();
        Assert.assertEquals(testResult[i], result, 0.03);
    }
}