bondtyper.cpp File Reference
Bond typer to perceive connectivity and bond orders/types.
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#include <openbabel/babelconfig.h>
#include <openbabel/mol.h>
#include <openbabel/bondtyper.h>
#include "bondtyp.h"
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