@Test
public void testChloroButane() throws Exception {

    IAtomContainer mol = DefaultChemObjectBuilder.getInstance().newInstance(IAtomContainer.class);
    IAtom c1 = DefaultChemObjectBuilder.getInstance().newInstance(IAtom.class, "C");
    IAtom c2 = DefaultChemObjectBuilder.getInstance().newInstance(IAtom.class, "C");
    IAtom c3 = DefaultChemObjectBuilder.getInstance().newInstance(IAtom.class, "C");
    IAtom cl = DefaultChemObjectBuilder.getInstance().newInstance(IAtom.class, "Cl");
    mol.addAtom(c1);
    mol.addAtom(c2);
    mol.addAtom(c3);
    mol.addAtom(cl);
    mol.addBond(new Bond(c1, c2));
    mol.addBond(new Bond(c2, c3));
    mol.addBond(new Bond(c3, cl));
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
    CDKHydrogenAdder.getInstance(SilentChemObjectBuilder.getInstance())
                    .addImplicitHydrogens(mol);
    DescriptorValue v = descriptor.calculate(mol);
    Assert.assertEquals(1.719, ((DoubleArrayResult) v.getValue()).get(0), 0.01);
    Assert.assertEquals(20.585, ((DoubleArrayResult) v.getValue()).get(2), 0.01);
}