@Test
public void testcalculateGHEffectiveAtomPolarizability_Isopentyl_iodide() throws Exception {

    double testResult = 8.69; /* from thesis Wolfgang Hanebeck, TUM */
    Polarizability pol = new Polarizability();
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("C(C)(C)CCI");
    double result = pol.calculateGHEffectiveAtomPolarizability(mol, mol.getAtom(5), 100, true);
    Assert.assertEquals(testResult, result, 0.01);
}