@Test
@Category(SlowTest.class)
public void testIPDescriptor_1() throws Exception {

    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("CCCC=CCCCC");
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
    addExplicitHydrogens(mol);
    lpcheck.saturate(mol);
    double result = ((DoubleResult) descriptor.calculate(mol.getBond(3), mol).getValue()).doubleValue();
    double resultAccordingNIST = 8.80;
    Assert.assertEquals(result, resultAccordingNIST, 0.051);
}