20 #include <boost/dynamic_bitset_fwd.hpp> 47 const INT_INT_VECT_MAP &neighMap,
49 boost::dynamic_bitset<> &done,
69 INT_INT_VECT_MAP &neighMap,
70 unsigned int maxSize = 0,
71 unsigned int maxOverlapSize = 0);
86 VECT_INT_VECT &brings,
RDKIT_GRAPHMOL_EXPORT void 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 strore the ring that are fused (share atleast one bond with it)...
RDKIT_GRAPHMOL_EXPORT void 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.
std::vector< INT_VECT > VECT_INT_VECT
#define RDKIT_GRAPHMOL_EXPORT
std::vector< int > INT_VECT
std::map< int, INT_VECT > INT_INT_VECT_MAP
RDKIT_GRAPHMOL_EXPORT void 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