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

    double testResult = 0.1482; /*
                                 * from Petra online:
                                 * http://www2.chemie.uni-
                                 * erlangen.de/services/petra/smiles.phtml
                                 */
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("C(C)(C)CCI");
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
    addExplicitHydrogens(mol);
    double result = ((DoubleResult) descriptor.calculate(mol.getBond(0), mol).getValue()).doubleValue();
    Assert.assertEquals(testResult, result, 0.001);
}