32 #ifndef RD_REACTION_RUNNER_H 33 #define RD_REACTION_RUNNER_H Defines the primary molecule class ROMol as well as associated typedefs.
std::vector< boost::shared_ptr< ROMol > > MOL_SPTR_VECT
Includes a bunch of functionality for handling Atom and Bond queries.
std::vector< MOL_SPTR_VECT > run_Reactants(const ChemicalReaction &rxn, const MOL_SPTR_VECT &reactants)
Runs the reaction on a set of reactants.