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

    double[] testResult = {2.5882, 1.1894};/*
                                            * from Petra online:
                                            * http://www2.
                                            * chemie.uni-erlangen
                                            * .de/services
                                            * /petra/smiles.phtml
                                            */
    Integer[] params = new Integer[1];
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("CF");
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
    addExplicitHydrogens(mol);
    LonePairElectronChecker lpcheck = new LonePairElectronChecker();
    lpcheck.saturate(mol);
    for (int i = 0; i < 2; i++) {
        params[0] = 6;
        descriptor.setParameters(params);
        double result = ((DoubleResult) descriptor.calculate(mol.getBond(i), mol).getValue()).doubleValue();
        Assert.assertEquals(testResult[i], result, 0.01);
    }
}