bondtyper.cpp File Reference

Bond typer to perceive connectivity and bond orders/types. More...

#include <openbabel/babelconfig.h>
#include <openbabel/mol.h>
#include <openbabel/bondtyper.h>
#include "bondtyp.h"

Namespaces

namespace  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
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