RGroupDecompParams.h File Reference

#include "../RDKitBase.h"
#include <GraphMol/Substruct/SubstructMatch.h>
#include <RDGeneral/BetterEnums.h>

Go to the source code of this file.

Classes
struct	RDKit::RGroupDecompositionParameters

Namespaces
namespace	RDKit
	Std stuff.

Functions
	RDKit::BETTER_ENUM (RGroupLabels, unsigned int, IsotopeLabels=0x01, AtomMapLabels=0x02, AtomIndexLabels=0x04, RelabelDuplicateLabels=0x08, MDLRGroupLabels=0x10, DummyAtomLabels=0x20, AutoDetect=0xFF)
	RDKit::BETTER_ENUM (RGroupMatching, unsigned int, Greedy=0x01, GreedyChunks=0x02, Exhaustive=0x04, NoSymmetrization=0x08, GA=0x10)
	RDKit::BETTER_ENUM (RGroupLabelling, unsigned int, AtomMap=0x01, Isotope=0x02, MDLRGroup=0x04)
	RDKit::BETTER_ENUM (RGroupCoreAlignment, unsigned int, NoAlignment=0x0, MCS=0x01)
	RDKit::BETTER_ENUM (RGroupScore, unsigned int, Match=0x1, FingerprintVariance=0x4)