@Test
public void testPolarizabilityDescriptor_Allyl_bromide() throws Exception {

    double testResult = 6.1745; /*
                                 * 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("C=CCBr");
    addExplicitHydrogens(mol);
    double result = ((DoubleResult) descriptor.calculate(mol.getAtom(3), mol).getValue()).doubleValue();
    Assert.assertEquals(testResult, result, 0.01);
}