@Test
public void testcalculateGHEffectiveAtomPolarizability_Ethanolamine() throws Exception {

    double[] testResult = {4.26, 3.60}; /*
                                         * from thesis Wolfgang Hanebeck,
                                         * TUM
                                         */
    Polarizability pol = new Polarizability();
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("NCCO");
    double result = pol.calculateGHEffectiveAtomPolarizability(mol, mol.getAtom(3), 100, true);
    Assert.assertEquals(testResult[1], result, 0.01);
    result = pol.calculateGHEffectiveAtomPolarizability(mol, mol.getAtom(0), 100, true);
    Assert.assertEquals(testResult[0], result, 0.01);
}