@Test public void testGetHeavyElements_IMolecularFormula_2() { IMolecularFormula formula = MolecularFormulaManipulator.getMolecularFormula("CH3OH", builder); Assert.assertEquals(2, MolecularFormulaManipulator.getHeavyElements(formula).size()); }
@Test public void testGetHeavyElements_IMolecularFormula() { IMolecularFormula formula = new MolecularFormula(); formula.addIsotope(builder.newInstance(IIsotope.class, "C"), 10); formula.addIsotope(builder.newInstance(IIsotope.class, "H"), 16); Assert.assertEquals(1, MolecularFormulaManipulator.getHeavyElements(formula).size()); }