@Test
public void testDefaultValidFalse_SetParam() throws ClassNotFoundException, CDKException, Exception {

    IRule rule = new NitrogenRule();
    IMolecularFormula formula = MolecularFormulaManipulator.getMajorIsotopeMolecularFormula("C2H11N4O4", builder);
    formula.setCharge(1);
    Assert.assertEquals(1.0, rule.validate(formula), 0.0001);
}