ReactionFingerprints.h File Reference

#include <RDGeneral/export.h>
#include <DataStructs/SparseIntVect.h>
#include <DataStructs/ExplicitBitVect.h>

Go to the source code of this file.

Classes
struct	RDKit::ReactionFingerprintParams

Namespaces
namespace	RDKit
	Std stuff.

Enumerations
enum	RDKit::FingerprintType {   RDKit::AtomPairFP = 1 , RDKit::TopologicalTorsion , RDKit::MorganFP , RDKit::RDKitFP ,   RDKit::PatternFP }

Functions
RDKIT_CHEMREACTIONS_EXPORT ExplicitBitVect *	RDKit::StructuralFingerprintChemReaction (const ChemicalReaction &rxn, const ReactionFingerprintParams &params=DefaultStructuralFPParams)
RDKIT_CHEMREACTIONS_EXPORT SparseIntVect< std::uint32_t > *	RDKit::DifferenceFingerprintChemReaction (const ChemicalReaction &rxn, const ReactionFingerprintParams &params=DefaultDifferenceFPParams)

Variables
RDKIT_CHEMREACTIONS_EXPORT const ReactionFingerprintParams	RDKit::DefaultStructuralFPParams
RDKIT_CHEMREACTIONS_EXPORT const ReactionFingerprintParams	RDKit::DefaultDifferenceFPParams