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

    double[] testResult = {0.2396, 0.3635, 1.7086, 0.3635, 0.338, 0.574, 0.969, 0.969}; /*
                                                                                         * 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);
    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);
    }
}