SubgraphUtils.h File Reference

#include <RDGeneral/export.h>
#include "Subgraphs.h"
#include <RDGeneral/BoostStartInclude.h>
#include <tuple>
#include <RDGeneral/BoostEndInclude.h>
#include <cstdint>

Go to the source code of this file.

Namespaces
namespace	RDKit
	Std stuff.
namespace	RDKit::Subgraphs

Typedefs
typedef std::tuple< std::uint32_t, std::uint32_t, std::uint32_t >	RDKit::Subgraphs::DiscrimTuple
	used to return path discriminators (three unsigned ints):

Functions
RDKIT_SUBGRAPHS_EXPORT DiscrimTuple	RDKit::Subgraphs::calcPathDiscriminators (const ROMol &mol, const PATH_TYPE &path, bool useBO=true, std::vector< std::uint32_t > *extraInvars=nullptr)
RDKIT_SUBGRAPHS_EXPORT PATH_LIST	RDKit::Subgraphs::uniquifyPaths (const ROMol &mol, const PATH_LIST &allPathsb, bool useBO=true)
RDKIT_SUBGRAPHS_EXPORT PATH_TYPE	RDKit::Subgraphs::bondListFromAtomList (const ROMol &mol, const PATH_TYPE &atomIds)
RDKIT_SUBGRAPHS_EXPORT ROMol *	RDKit::Subgraphs::pathToSubmol (const ROMol &mol, const PATH_TYPE &path, bool useQuery, std::map< int, int > &atomIdxMap)
RDKIT_SUBGRAPHS_EXPORT ROMol *	RDKit::Subgraphs::pathToSubmol (const ROMol &mol, const PATH_TYPE &path, bool useQuery=false)