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

    IAtomContainer mol = sp.parseSmiles("COCCCC=O");
    addExplicitHydrogens(mol);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
    lpcheck.saturate(mol);
    IPMolecularLearningDescriptor descriptor = new IPMolecularLearningDescriptor();
    DoubleArrayResult dar = ((DoubleArrayResult) (descriptor).calculatePlus(mol).getValue());
    double resultAccordingNIST = 9.37;
    Assert.assertEquals(2, dar.length());
    Assert.assertEquals(resultAccordingNIST, dar.get(0), 0.3);
}