@Test
public void testNotDB() throws Exception {

    IAtomContainer mol = sp.parseSmiles("C=CCCl"); // not in db
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
    addExplicitHydrogens(mol);
    lpcheck.saturate(mol);
    double result = ((DoubleResult) descriptor.calculate(mol.getAtom(3), mol).getValue()).doubleValue();
    double resultAccordingNIST = 10.8; //value for CCCCl aprox.
    Assert.assertEquals(resultAccordingNIST, result, 0.00001);
}