@Test
public void testCalculateSigmaElectronegativity_IAtomContainer_IAtom() throws Exception {

    double[] testResult = {11.308338, 8.7184094, 7.5289848, 7.5289848, 7.5289848};
    Electronegativity pe = new Electronegativity();
    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++)
        Assert.assertEquals(testResult[i], pe.calculateSigmaElectronegativity(molecule, molecule.getAtom(i)), 0.001);
}