/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testMMElementRule() throws Exception { IRule rule = new MMElementRule(); Assert.assertNotNull(rule); }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testDefault() throws Exception { IRule rule = new MMElementRule(); Object[] objects = rule.getParameters(); Assert.assertSame(MMElementRule.Database.WILEY, objects[0]); Assert.assertSame(MMElementRule.RangeMass.Minus500, objects[1]); }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testIsValid_NOT() { IMolecularFormula formula = new MolecularFormula(); formula.addIsotope(ifac.getMajorIsotope("C"), 1); formula.addIsotope(ifac.getMajorIsotope("H"), 100); List<IRule> rules = new ArrayList<IRule>(); rules.add(new MMElementRule()); MolecularFormulaChecker MFChecker = new MolecularFormulaChecker(rules); IMolecularFormula formulaWith = MFChecker.isValid(formula); Assert.assertEquals(0.0, formulaWith.getProperty((new MMElementRule()).getClass())); }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testIsValid_NOT_2Rules() { IMolecularFormula formula = new MolecularFormula(); formula.addIsotope(ifac.getMajorIsotope("C"), 1); formula.addIsotope(ifac.getMajorIsotope("H"), 100); formula.setCharge(0); List<IRule> rules = new ArrayList<IRule>(); rules.add(new MMElementRule()); rules.add(new ChargeRule()); MolecularFormulaChecker MFChecker = new MolecularFormulaChecker(rules); IMolecularFormula formulaWith = MFChecker.isValid(formula); Assert.assertEquals(0.0, formulaWith.getProperty((new MMElementRule()).getClass())); Assert.assertEquals(1.0, formulaWith.getProperty((new ChargeRule()).getClass())); }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testIsValid_True_2Rules() { IMolecularFormula formula = new MolecularFormula(); formula.addIsotope(ifac.getMajorIsotope("C"), 1); formula.addIsotope(ifac.getMajorIsotope("H"), 4); formula.setCharge(0); List<IRule> rules = new ArrayList<IRule>(); rules.add(new MMElementRule()); rules.add(new ChargeRule()); MolecularFormulaChecker MFChecker = new MolecularFormulaChecker(rules); IMolecularFormula formulaWith = MFChecker.isValid(formula); Assert.assertEquals(1.0, formulaWith.getProperty((new MMElementRule()).getClass())); Assert.assertEquals(1.0, formulaWith.getProperty((new ChargeRule()).getClass())); } }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testIsValidSum_IMolecularFormula() { IMolecularFormula formula = new MolecularFormula(); formula.addIsotope(ifac.getMajorIsotope("C"), 1); formula.addIsotope(ifac.getMajorIsotope("H"), 100); List<IRule> rules = new ArrayList<IRule>(); rules.add(new MMElementRule()); MolecularFormulaChecker MFChecker = new MolecularFormulaChecker(rules); Assert.assertEquals(0.0, MFChecker.isValidSum(formula), 0.001); }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testIsValidSum_True_2Rules() { IMolecularFormula formula = new MolecularFormula(); formula.addIsotope(ifac.getMajorIsotope("C"), 1); formula.addIsotope(ifac.getMajorIsotope("H"), 4); formula.setCharge(0); List<IRule> rules = new ArrayList<IRule>(); rules.add(new MMElementRule()); rules.add(new ChargeRule()); MolecularFormulaChecker MFChecker = new MolecularFormulaChecker(rules); Assert.assertEquals(1.0, MFChecker.isValidSum(formula), 0.001); }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testSetParameters() throws Exception { IRule rule = new MMElementRule(); Object[] params = new Object[2]; params[0] = MMElementRule.Database.DNP; params[1] = MMElementRule.RangeMass.Minus1000; rule.setParameters(params); Object[] objects = rule.getParameters(); Assert.assertSame(MMElementRule.Database.DNP, objects[0]); Assert.assertSame(MMElementRule.RangeMass.Minus1000, objects[1]); }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testIsValid_IMolecularFormula() { IMolecularFormula formula = new MolecularFormula(); formula.addIsotope(ifac.getMajorIsotope("C"), 1); formula.addIsotope(ifac.getMajorIsotope("H"), 100); formula.setCharge(0); List<IRule> rules = new ArrayList<IRule>(); rules.add(new MMElementRule()); rules.add(new ChargeRule()); MolecularFormulaChecker MFChecker = new MolecularFormulaChecker(rules); Assert.assertEquals(0.0, MFChecker.isValidSum(formula), 0.001); }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testDefaultValidFalse() throws Exception { IRule rule = new MMElementRule(); IMolecularFormula formula = new MolecularFormula(); formula.addIsotope(builder.newInstance(IIsotope.class, "C"), 2); formula.addIsotope(builder.newInstance(IIsotope.class, "H"), 200); Assert.assertEquals(0.0, rule.validate(formula), 0.0001); }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testDefaultValidTrue() throws Exception { IRule rule = new MMElementRule(); IMolecularFormula formula = new MolecularFormula(); formula.addIsotope(builder.newInstance(IIsotope.class, "C"), 2); formula.addIsotope(builder.newInstance(IIsotope.class, "H"), 6); Assert.assertEquals(1.0, rule.validate(formula), 0.0001); } }