kekulize.cpp File Reference

#include <openbabel/babelconfig.h>
#include <openbabel/mol.h>
#include <openbabel/atom.h>
#include <openbabel/bond.h>
#include <openbabel/obiter.h>
#include <openbabel/kekulize.h>
#include <cstdlib>
#include <cstring>

Namespaces
	OpenBabel

Functions
static unsigned int	GetMaxAtomIdx (OBMol *mol)
static unsigned int	GetMaxBondIdx (OBMol *mol)
static bool	IsSpecialCase (OBAtom *atom)
static bool	NeedsDoubleBond (OBAtom *atom)
bool	OBKekulize (OBMol *mol)

Detailed Description

Algorithm to kekulize a molecule.