OESystem::OEIterBase<OEMolBase> *GetReactants(unsigned int rnum) const
The GetReactants
method takes an integer corresponding to the
reactant component number as specified in the reaction with which the
OELibraryGen
instance was initialized. Reactants are numbered
starting from zero, and incremented by one when a reactant atom is
found that is disconnected from the first component. For example, in
a SMIRKS string the reactants are numbered starting from zero for the
leftmost reactant, and increasing by one for every dot disconnection
that isn't grouped with a previous part using parentheses.