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

    double[] testResult = {0.0243, 0.1279, 0.1872, 0.1553, 0.1553, 0.1358, 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");
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
    addExplicitHydrogens(mol);
    LonePairElectronChecker lpcheck = new LonePairElectronChecker();
    lpcheck.saturate(mol);
    for (int i = 0; i < 8; i++) {
        double result = ((DoubleResult) descriptor.calculate(mol.getBond(i), mol).getValue()).doubleValue();
        Assert.assertEquals(testResult[i], result, 0.035);
    }
}