@Test
@Category(SlowTest.class)
public void testPartialPiChargeDescriptoCharge_1() throws Exception {

    double[] testResult = {0.0613, -0.0554, 0.0, -0.0059, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0, 0.0};/*
                                                                                                        * from
                                                                                                        * Petra
                                                                                                        * online
                                                                                                        * :
                                                                                                        * http
                                                                                                        * :
                                                                                                        * /
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                                                                                                        * www2
                                                                                                        * .
                                                                                                        * chemie
                                                                                                        * .
                                                                                                        * uni
                                                                                                        * -
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                                                                                                        * .
                                                                                                        * de
                                                                                                        * /
                                                                                                        * services
                                                                                                        * /
                                                                                                        * petra
                                                                                                        * /
                                                                                                        * smiles
                                                                                                        * .
                                                                                                        * phtml
                                                                                                        */
    IAtomicDescriptor descriptor = new PartialPiChargeDescriptor();
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("F[C+]([H])[C-]([H])[H]");
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(mol);
    lpcheck.saturate(mol);
    for (int i = 0; i < 6; i++) {
        double result = ((DoubleResult) descriptor.calculate(mol.getAtom(i), mol).getValue()).doubleValue();
        Assert.assertEquals(testResult[i], result, 0.2);
    }
}