OBMolBondIter Class Reference

#include <openbabel/obiter.h>

List of all members.

Public Member Functions
	OBMolBondIter ()
	OBMolBondIter (OBMol *mol)
	OBMolBondIter (OBMol &mol)
	OBMolBondIter (const OBMolBondIter &bi)
	~OBMolBondIter ()
OBMolBondIter &	operator= (const OBMolBondIter &bi)
	operator bool () const
OBMolBondIter &	operator++ ()
OBMolBondIter	operator++ (int)
OBBond *	operator-> () const
OBBond &	operator* () const

Detailed Description

To facilitate iteration through all bonds in a molecule, without resorting to bond indexes (which may change in the future), a variety of iterators are provided.

This has been made significantly easier by a series of macros in the obiter.h header file:

      \#define FOR_BONDS_OF_MOL(b,m)     for( OBMolBondIter     b(m); b; ++b )

Here is an example:

      #include <openbabel/obiter.h>
      #include <openbabel/mol.h>

      OBMol mol;
      unsigned int bondOrderSum = 0;
      FOR_BONDS_OF_MOL(b, mol)
      {
         // The variable b behaves like OBBond* when used with -> and * but
         // but needs to be explicitly converted when appearing as a parameter
         // in a function call - use &*b
         bondOrderSum +=  b->GetBO();
      }

Constructor & Destructor Documentation

Member Function Documentation

• obiter.h
• obiter.cpp