Enumerate.h File Reference

Contains the public API of the for the reaction enumeration engine. More...

#include <RDGeneral/export.h>
#include "EnumerateBase.h"

Go to the source code of this file.

Classes
struct	RDKit::EnumerationParams
class	RDKit::EnumerateLibrary
	This is a class for running reactions on sets of reagents. More...

Namespaces
namespace	RDKit
	Std stuff.

Functions
RDKIT_CHEMREACTIONS_EXPORT EnumerationTypes::BBS	RDKit::removeNonmatchingReagents (const ChemicalReaction &rxn, EnumerationTypes::BBS bbs, const EnumerationParams &params=EnumerationParams())
RDKIT_CHEMREACTIONS_EXPORT bool	RDKit::EnumerateLibraryCanSerialize ()

Detailed Description

Contains the public API of the for the reaction enumeration engine.

Note that this should be considered beta and that the API may change in future releases.

Definition in file Enumerate.h.