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

    double[] testResult = {0.7939, 1.0715, 1.0715, 0.7939, 0.2749, 0.2749, 0.2749, 0.8796, 0.8796}; /*
                                                                                                     * from
                                                                                                     * Petra
                                                                                                     * online
                                                                                                     * :
                                                                                                     * http
                                                                                                     * :
                                                                                                     * /
                                                                                                     * /
                                                                                                     * www2
                                                                                                     * .
                                                                                                     * chemie
                                                                                                     * .
                                                                                                     * uni
                                                                                                     * -
                                                                                                     * erlangen
                                                                                                     * .
                                                                                                     * de
                                                                                                     * /
                                                                                                     * services
                                                                                                     * /
                                                                                                     * petra
                                                                                                     * /
                                                                                                     * smiles
                                                                                                     * .
                                                                                                     * phtml
                                                                                                     */
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("CCOCC");
    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, 0.002);
    }
}