Rings.h File Reference

utility functionality for working with ring systems More...

#include <RDGeneral/export.h>
#include <vector>
#include <map>
#include <boost/dynamic_bitset_fwd.hpp>

Go to the source code of this file.

Namespaces
namespace	RDKit
	Std stuff.
namespace	RingUtils

Typedefs
typedef std::vector< int >	RingUtils::INT_VECT
typedef std::vector< std::vector< int > >	RingUtils::VECT_INT_VECT
typedef std::map< int, std::vector< int > >	RingUtils::INT_INT_VECT_MAP

Functions
RDKIT_GRAPHMOL_EXPORT void	RingUtils::pickFusedRings (int curr, const INT_INT_VECT_MAP &neighMap, INT_VECT &res, boost::dynamic_bitset<> &done, int depth=0)
	Pick a set of rings that are fused together and contain a specified ring.
RDKIT_GRAPHMOL_EXPORT void	RingUtils::makeRingNeighborMap (const VECT_INT_VECT &brings, INT_INT_VECT_MAP &neighMap, unsigned int maxSize=0, unsigned int maxOverlapSize=0)
	For each ring in bring compute and store the ring that are fused (share at least one bond with it).
RDKIT_GRAPHMOL_EXPORT void	RingUtils::convertToBonds (const VECT_INT_VECT &res, VECT_INT_VECT &brings, const RDKit::ROMol &mol)
	converts a list of atom indices into a list of bond indices

Detailed Description

utility functionality for working with ring systems

Definition in file Rings.h.