bondtyper.cpp File Reference

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

#include "mol.h"
#include "bondtyper.h"
#include "bondtyp.h"

Namespaces

namespace OpenBabel

Variables

OBBondTyper bondtyper

Global OBBondTyper for perception of bond order assignment.

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


Namespaces
namespace	OpenBabel
Variables
OBBondTyper	bondtyper
	Global OBBondTyper for perception of bond order assignment.