@Test
public void testPiElectronegativityDescriptor_Methoxyethylene() throws ClassNotFoundException, CDKException,
        java.lang.Exception {

    double[] testResult = {4.916, 5.7345, 3.971, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0};/*
                                                                                     * from
                                                                                     * Petra
                                                                                     * online
                                                                                     * :
                                                                                     * http
                                                                                     * :
                                                                                     * /
                                                                                     * /
                                                                                     * www2
                                                                                     * .
                                                                                     * chemie
                                                                                     * .
                                                                                     * uni
                                                                                     * -
                                                                                     * erlangen
                                                                                     * .
                                                                                     * de
                                                                                     * /
                                                                                     * services
                                                                                     * /
                                                                                     * petra
                                                                                     * /
                                                                                     * smiles
                                                                                     * .
                                                                                     * phtml
                                                                                     */
    IAtomicDescriptor descriptor = new PiElectronegativityDescriptor();
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("C=C-O-C");
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
    addExplicitHydrogens(mol);
    LonePairElectronChecker lpcheck = new LonePairElectronChecker();
    lpcheck.saturate(mol);
    for (int i = 0; i < mol.getAtomCount(); i++) {
        double result = ((DoubleResult) descriptor.calculate(mol.getAtom(i), mol).getValue()).doubleValue();
        //	        logger.debug("result: "+result);
        if (result == 0.0)
            Assert.assertEquals(testResult[i], result, 0.0001);
        else {
            Assert.assertTrue(result != 0.0);
            Assert.assertEquals(testResult[i], result, 0.5);
        }
    }
}