public static String getMolecularFormular ( HELM2Notation helm2notation ) throws BuilderMoleculeException , CTKException , ChemistryException { /* First build HELM molecule */ List < AbstractMolecule > molecules = buildMolecule ( helm2notation ) ; LOG . info ( "Build process is finished" ) ; return calculateMolecularFormula ( molecules ) ; }
method to get the MolecularFormular for the whole HELM