@Test
public void testOriginalWienerPaperCompounds() throws Exception {

    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    double[] testResult = {10, 20, 35, 56, 84, 120, 165, 220, 286};
    String smiles = "CCC";
    for (int i = 0; i < testResult.length; i++) {
        smiles += "C"; // create the matching paraffin
        IAtomContainer mol = sp.parseSmiles(smiles);
        DoubleArrayResult retval = (DoubleArrayResult) descriptor.calculate(mol).getValue();
        Assert.assertEquals(testResult[i], retval.get(0), 0.0001);
    }
}