src

ring.cpp File Reference

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

#include "mol.h"
#include <deque>
#include "obutil.h"

Namespaces

namespace  OpenBabel

Defines

#define OB_RTREE_CUTOFF   20

Functions

static int DetermineFRJ (OBMol &)
static void BuildOBRTreeVector (OBAtom *, OBRTree *, vector< OBRTree * > &, OBBitVec &)
bool CompareRingSize (const OBRing *a, const OBRing *b)
static void FindRings (OBMol &mol, vector< int > &path, OBBitVec &avisit, OBBitVec &bvisit, int natom, int depth)

Detailed Description

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

Define Documentation

#define OB_RTREE_CUTOFF   20