Deal with rings, find smallest set of smallest rings (SSSR). More...

#include <openbabel/babelconfig.h>
#include <openbabel/mol.h>
#include <openbabel/ring.h>

Namespaces
namespace	OpenBabel
Defines
#define	OB_RTREE_CUTOFF 20
Functions
static int	DetermineFRJ (OBMol &)
static void	BuildOBRTreeVector (OBAtom , OBRTree , vector< OBRTree * > &, OBBitVec &)
std::vector< unsigned int >	atomRingToBondRing (OBMol *mol, const std::vector< int > &atoms)
void	visitRing (OBMol mol, OBRing ring, std::vector< OBRing * > &rlist, std::vector< OBRing * > &rignored)
bool	CompareRingSize (const OBRing , const OBRing )
static void	FindRings (OBMol &mol, vector< int > &path, OBBitVec &avisit, OBBitVec &bvisit, int natom, int depth)
Variables
OBRingTyper	ringtyper

Detailed Description

Deal with rings, find smallest set of smallest rings (SSSR).

Define Documentation

#define OB_RTREE_CUTOFF 20