Testsuite: org.openscience.cdk.modulesuites.MformulaTests
 Tests run: 153, Failures: 1, Errors: 0, Time elapsed: 1.051 sec
 
 Testcase: testGetTotalMassNumber_IMolecularFormula(org.openscience.cdk.tools.manipulator.MolecularFormulaManipulatorTest):	FAILED
 expected:<28.0> but was:<14.0>
 junit.framework.AssertionFailedError: expected:<28.0> but was:<14.0>
 	at org.openscience.cdk.tools.manipulator.MolecularFormulaManipulatorTest.testGetTotalMassNumber_IMolecularFormula(MolecularFormulaManipulatorTest.java:436)