stringMF = simplifyMolecularFormula(stringMF);
@Test public void testSpace() { String formula = "C17H21NO. C7H6O3"; String simplifyMF = MolecularFormulaManipulator.simplifyMolecularFormula(formula); Assert.assertEquals("C24H27NO4", simplifyMF); }
/** Test molecule simplification */ @Test public void test1() { String formula = "(C6H11O7)3.Fe"; String simplifyMF = MolecularFormulaManipulator.simplifyMolecularFormula(formula); Assert.assertEquals("C18H33O21Fe", simplifyMF); }
/** Test molecule simplification */ @Test public void test3() { String formula = "(C27H33N3O8)2.2HNO3.3H2O"; String simplifyMF = MolecularFormulaManipulator.simplifyMolecularFormula(formula); Assert.assertEquals("C54H74N8O25", simplifyMF); }
/** Test molecule simplification */ @Test public void test0() { String formula = "Fe.(C6H11O7)3"; String simplifyMF = MolecularFormulaManipulator.simplifyMolecularFormula(formula); Assert.assertEquals("FeC18H33O21", simplifyMF); }
/** Test molecule simplification */ @Test public void test2() { String formula = "C14H14N2.2HCl"; String simplifyMF = MolecularFormulaManipulator.simplifyMolecularFormula(formula); Assert.assertEquals("C14H16N2Cl2", simplifyMF); }
@Test public void testSimplifyMolecularFormula_String() { String formula = "C1H41.H2O"; String simplifyMF = MolecularFormulaManipulator.simplifyMolecularFormula(formula); Assert.assertEquals("C1H43O", simplifyMF); }
@Test public void testSimplifyMolecularFormula_String2() { String formula = "CH41.H2O"; String simplifyMF = MolecularFormulaManipulator.simplifyMolecularFormula(formula); Assert.assertEquals("CH43O", simplifyMF); }