@Test
@Category(SlowTest.class)
public void testIPDescriptor_2() throws java.lang.Exception {

    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("CC1CCC=C1");
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
    addExplicitHydrogens(mol);
    lpcheck.saturate(mol);
    double result = ((DoubleResult) descriptor.calculate(mol.getBond(4), mol).getValue()).doubleValue();
    double resultAccordingNIST = 8.95;
    Assert.assertEquals(result, resultAccordingNIST, 0.1);
}