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

    double[] testResult = {0.021, -0.1448, 0.0413, 0.0413, 0.0413};/*
                                                                    * from
                                                                    * Petra
                                                                    * online
                                                                    * :
                                                                    * http:
                                                                    * //
                                                                    * www2.
                                                                    * chemie
                                                                    * .uni-
                                                                    * erlangen
                                                                    * .de/
                                                                    * services
                                                                    * /
                                                                    * petra/
                                                                    * smiles
                                                                    * .phtml
                                                                    */
    IAtomContainer molecule = builder.newInstance(IAtomContainer.class);
    molecule.addAtom(new Atom("C"));
    molecule.addAtom(new Atom("Br"));
    molecule.addBond(0, 1, IBond.Order.SINGLE);
    AtomContainerManipulator.percieveAtomTypesAndConfigureAtoms(molecule);
    addExplicitHydrogens(molecule);
    lpcheck.saturate(molecule);
    for (int i = 0; i < molecule.getAtomCount(); i++) {
        double result = ((DoubleResult) descriptor.calculate(molecule.getAtom(i), molecule).getValue())
                .doubleValue();
        Assert.assertEquals(testResult[i], result, 0.01);
    }
}