Description

This keyword can be used to store the chemical formula of a component according to the IUPAC standard in addition to a general component name. The IUPAC formula might be required by some routines, where the elemental composition of a molecule is required and it is not obvious from the component name, e.g. in routine std::vector<int> REACTINT::formula2index(std::string_formula)

Parameters

string iupac formula