ring.cpp File Reference

#include <openbabel/babelconfig.h>
#include <openbabel/mol.h>
#include <openbabel/ring.h>
#include <openbabel/bond.h>
#include <openbabel/atom.h>
#include <openbabel/obiter.h>
#include <openbabel/generic.h>
#include <openbabel/oberror.h>
#include <openbabel/elements.h>

Namespaces
	OpenBabel

Macros
#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)
static unsigned int	FindRingAtomsAndBonds2 (OBMol &mol)
bool	CompareRingSize (const OBRing *, const OBRing *)
static int	FindRings (OBAtom *atom, int *avisit, unsigned char *bvisit, unsigned int &frj, int depth)

Variables
OBRingTyper	ringtyper

Detailed Description

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

Macro Definition Documentation

OB_RTREE_CUTOFF

#define OB_RTREE_CUTOFF   20

Referenced by OpenBabel::BuildOBRTreeVector().