@Test
public void testProtonTotalPartialChargeDescriptorTest() throws java.lang.Exception {

    double[] testResult = {0.07915, 0.05783, 0.05783, 0.05783};
    IAtomicDescriptor descriptor = new ProtonTotalPartialChargeDescriptor();
    SmilesParser sp = new SmilesParser(DefaultChemObjectBuilder.getInstance());
    IAtomContainer mol = sp.parseSmiles("CF");
    addExplicitHydrogens(mol);
    DoubleArrayResult retval = (DoubleArrayResult) descriptor.calculate(mol.getAtom(0), mol).getValue();
    for (int i = 0; i < testResult.length; ++i) {
        Assert.assertEquals(testResult[i], retval.get(i), 0.00001);
    }
}