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
	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< boost::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