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ring.cpp File Reference

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
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