@Test
public void testPolarizabilityDescriptor_Ethyl_chloride() throws Exception {

    double[] testResult = {4.8445, 5.824, 4.6165};/*
                                                   * from Petra online:
                                                   * http:
                                                   * //www2.chemie.uni-erlangen
                                                   * .
                                                   * de/services/petra/smiles
                                                   * .phtml
                                                   */
    EffectiveAtomPolarizabilityDescriptor descriptor = new EffectiveAtomPolarizabilityDescriptor();
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("CCCl");
    addExplicitHydrogens(mol);
    for (int i = 0; i < 3; i++) {
        double result = ((DoubleResult) descriptor.calculate(mol.getAtom(i), mol).getValue()).doubleValue();
        Assert.assertEquals(testResult[i], result, 0.01);
    }
}