@Test
public void testLinear() throws Exception {

    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("CCCCCCCCCC");
    org.hamcrest.MatcherAssert.assertThat(((DoubleResult) descriptor.calculate(mol).getValue()).doubleValue(), closeTo(4.17, 0.001));
}