/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testDefaultValidFalse() throws ClassNotFoundException, CDKException, Exception { IRule rule = new ChargeRule(); IMolecularFormula formula = new MolecularFormula(); formula.addIsotope(builder.newIsotope("C"), 2); formula.addIsotope(builder.newIsotope("H"), 200); formula.setCharge(1); Assert.assertEquals(0.0, rule.validate(formula), 0.0001); }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testDefaultValidFalse_SetParam() throws ClassNotFoundException, CDKException, Exception { IRule rule = new ChargeRule(); Object[] params = new Object[1]; IMolecularFormula formula = new MolecularFormula(); formula.addIsotope(builder.newIsotope("C"), 2); formula.addIsotope(builder.newIsotope("H"), 200); formula.setCharge(1); params[0] = -1.0; rule.setParameters(params); Assert.assertEquals(0.0, rule.validate(formula), 0.0001); }