@Test
public void test2FragmentComplexityDescriptor() throws Exception {

    IMolecularDescriptor descriptor = new FragmentComplexityDescriptor();
    String filename = "data/mdl/murckoTest10.mol";
    InputStream ins = this.getClass().getClassLoader().getResourceAsStream(filename);
    MurckoFragmenter gf = new MurckoFragmenter();
    double Complexity = 0;
    MDLV2000Reader reader = new MDLV2000Reader(ins, Mode.STRICT);
    IAtomContainer mol = reader.read(DefaultChemObjectBuilder.getInstance().newInstance(IAtomContainer.class));
    gf.generateFragments(mol);
    IAtomContainer[] setOfFragments = gf.getFrameworksAsContainers();
    for (IAtomContainer setOfFragment : setOfFragments) {
        addExplicitHydrogens(setOfFragment);
        Complexity = ((DoubleResult) descriptor.calculate(setOfFragment).getValue()).doubleValue();
    }
    Assert.assertEquals(544.01, Complexity, 0.01);
}