bondtyper.cpp File Reference

#include <openbabel/babelconfig.h>
#include <cstdlib>
#include <openbabel/mol.h>
#include <openbabel/atom.h>
#include <openbabel/bond.h>
#include <openbabel/oberror.h>
#include <openbabel/bondtyper.h>
#include <openbabel/elements.h>
#include "bondtyp.h"

Namespaces
	OpenBabel

Variables
OBBondTyper	bondtyper

Detailed Description

Bond typer to perceive connectivity and bond orders/types.

Todo:

Needs to add aromatic ring bond order assignment. Eventually need to migrate OBMol::PerceiveBondOrders(), OBMol::ConnectTheDots(), and possibly some of the Kekulize routines