@Test
public void testCompound() throws Exception {

    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("CCCCC1CCCCC1");
    org.hamcrest.MatcherAssert.assertThat(((DoubleResult) descriptor.calculate(mol).getValue()).doubleValue(), closeTo(4.322, 0.001));
}