@Test
public void testAssignrPiMarsilliFactors_IAtomContainerSet() throws Exception {

    GasteigerPEPEPartialCharges peoe = new GasteigerPEPEPartialCharges();
    IAtomContainer molecule = builder.newInstance(IAtomContainer.class);
    molecule.addAtom(new Atom("C"));
    molecule.addAtom(new Atom("F"));
    molecule.addBond(0, 1, IBond.Order.SINGLE);
    addExplicitHydrogens(molecule);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(molecule);
    lpcheck.saturate(molecule);
    for (Iterator<IAtom> it = molecule.atoms().iterator(); it.hasNext();)
        it.next().setCharge(0.0);
    IAtomContainerSet set = builder.newInstance(IAtomContainerSet.class);
    set.addAtomContainer(molecule);
    set.addAtomContainer(molecule);
    addExplicitHydrogens(molecule);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(molecule);
    lpcheck.saturate(molecule);
    Assert.assertNotNull(peoe.assignrPiMarsilliFactors(set));
}