@Test
public void testPolarizabilityDescriptor_Ethoxy_ethane() throws Exception {

    double testResult = 5.207; /*
                                * 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("CCOCC");
    addExplicitHydrogens(mol);
    double result = ((DoubleResult) descriptor.calculate(mol.getAtom(2), mol).getValue()).doubleValue();
    Assert.assertEquals(testResult, result, 0.01);
}