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

    descriptor = new BondPartialPiChargeDescriptor();
    double testResult = 0.0; /*
                              * 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");
    addExplicitHydrogens(mol);
    for (int i = 0; i < 6; i++) {
        double result = ((DoubleResult) descriptor.calculate(mol.getBond(i), mol).getValue()).doubleValue();
        Assert.assertEquals(testResult, result, 0.001);
    }
}