@Test
@Category(SlowTest.class)
public void testIPTripleDescriptor1() throws java.lang.Exception {

    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("C#CCC");
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
    addExplicitHydrogens(mol);
    lpcheck.saturate(mol);
    double result = ((DoubleResult) descriptor.calculate(mol.getBond(0), mol).getValue()).doubleValue();
    double resultAccordingNIST = 9.44;
    Assert.assertEquals(resultAccordingNIST, result, 0.75);
}