3.12.8 GetReactants

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.