if (storeFormula) { for (IMolecularFormula mf : container.getFormulas()) addDistinctFormula(existing, union(mf, other.getFormula())); if (storeFormula) { for (IMolecularFormula mf : container.getFormulas()) newcontainer.addFormula(union(mf, other.getFormula()));
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testGetFormula() { IsotopeContainer isoC = new IsotopeContainer(); IMolecularFormula formula = builder.newInstance(IMolecularFormula.class); isoC.setFormula(formula); Assert.assertEquals(formula, isoC.getFormula()); }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testIsotopeContainer_IMolecularFormula_double() { IMolecularFormula formula = builder.newInstance(IMolecularFormula.class); double intensity = 130.00; IsotopeContainer isoC = new IsotopeContainer(formula, intensity); Assert.assertNotNull(isoC); Assert.assertEquals(formula, isoC.getFormula()); Assert.assertEquals(intensity, isoC.getIntensity(), 0.001); }
/** * A unit test suite for JUnit. * * @return The test suite */ @Test public void testClone() throws Exception { IsotopeContainer isoC = new IsotopeContainer(); IMolecularFormula formula = builder.newInstance(IMolecularFormula.class); isoC.setFormula(formula); double mass = 130.00; isoC.setMass(mass); double intensity = 130.00; isoC.setIntensity(intensity); IsotopeContainer clone = (IsotopeContainer) isoC.clone(); Assert.assertEquals(mass, clone.getMass(), 0.001); Assert.assertEquals(intensity, clone.getIntensity(), 0.001); Assert.assertEquals(formula, clone.getFormula()); }