RDKit: SubgraphUtils.h File Reference

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SubgraphUtils.h File Reference
`#include "Subgraphs.h"`
`#include <boost/tuple/tuple.hpp>`
`#include <boost/cstdint.hpp>`

Go to the source code of this file.

## Namespaces
| RDKit
| Includes a bunch of functionality for handling Atom and Bond queries.
| RDKit::Subgraphs

## Typedefs
typedef boost::tuples::tuple< boost::uint32_t, boost::uint32_t, boost::uint32_t > | RDKit::Subgraphs::DiscrimTuple
| used to return path discriminators (three unsigned ints): More...

## Functions
DiscrimTuple | RDKit::Subgraphs::calcPathDiscriminators (const ROMol &mol, const PATH_TYPE &path, bool useBO=true, std::vector< boost::uint32_t > *extraInvars=0)
PATH_LIST | RDKit::Subgraphs::uniquifyPaths (const ROMol &mol, const PATH_LIST &allPathsb, bool useBO=true)
PATH_TYPE | RDKit::Subgraphs::bondListFromAtomList (const ROMol &mol, const PATH_TYPE &atomIds)
ROMol * | RDKit::Subgraphs::pathToSubmol (const ROMol &mol, const PATH_TYPE &path, bool useQuery, std::map< int, int > &atomIdxMap)
ROMol * | RDKit::Subgraphs::pathToSubmol (const ROMol &mol, const PATH_TYPE &path, bool useQuery=false)