@Test
public void testPartialSigmaChargeDescriptor4() throws ClassNotFoundException, CDKException, java.lang.Exception {

    double[] testResult = {-0.3041, 0.1055, 0.0993, 0.0993}; /*
                                                              * from Petra
                                                              * online:
                                                              * http:
                                                              * //www2.chemie
                                                              * .
                                                              * uni-erlangen
                                                              * .
                                                              * de/services/
                                                              * petra
                                                              * /smiles.
                                                              * phtml
                                                              */
    IAtomContainer molecule = builder.newInstance(IAtomContainer.class);
    molecule.addAtom(builder.newInstance(IAtom.class, "O"));
    molecule.addAtom(builder.newInstance(IAtom.class, "C"));
    molecule.addBond(0, 1, IBond.Order.DOUBLE);
    molecule.addAtom(builder.newInstance(IAtom.class, "H"));
    molecule.addBond(1, 2, IBond.Order.SINGLE);
    molecule.addAtom(builder.newInstance(IAtom.class, "H"));
    molecule.addBond(1, 3, 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, 0.003);
    }
}