@Test
public void testCalculatePiElectronegativity_IAtomContainer_IAtom_Int_Int() throws Exception {

    PiElectronegativity pe = new PiElectronegativity();
    IAtomContainer molecule = builder.newInstance(IAtomContainer.class);
    molecule.addAtom(new Atom("F"));
    molecule.addAtom(new Atom("C"));
    molecule.addBond(0, 1, IBond.Order.SINGLE);
    addExplicitHydrogens(molecule);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(molecule);
    lpcheck.saturate(molecule);
    for (int i = 0; i < molecule.getAtomCount(); i++) {
        if (i == 0)
            Assert.assertNotSame(0.0, pe.calculatePiElectronegativity(molecule, molecule.getAtom(i), 6, 50));
        else
            Assert.assertEquals(0.0, pe.calculatePiElectronegativity(molecule, molecule.getAtom(i), 6, 50), 0.001);
    }
}