RDKit
Open-source cheminformatics and machine learning.
ReactionRunner.h File Reference

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Namespaces

 RDKit
 Includes a bunch of functionality for handling Atom and Bond queries.
 

Functions

std::vector< MOL_SPTR_VECT > RDKit::run_Reactants (const ChemicalReaction &rxn, const MOL_SPTR_VECT &reactants)
 Runs the reaction on a set of reactants. More...