OBAtomBondIter Class Reference

#include <openbabel/obiter.h>

List of all members.

Public Member Functions
	OBAtomBondIter ()
	OBAtomBondIter (OBAtom *atm)
	OBAtomBondIter (OBAtom &atm)
	OBAtomBondIter (const OBAtomBondIter &bi)
	~OBAtomBondIter ()
OBAtomBondIter &	operator= (const OBAtomBondIter &bi)
	operator bool () const
OBAtomBondIter &	operator++ ()
OBAtomBondIter	operator++ (int)
OBBond *	operator-> () const
OBBond &	operator* () const

Detailed Description

To facilitate iteration through all bonds on an atom, without resorting to bond indexes (which may change in the future) a variety of iterator classes and methods are provided.

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

      \#define FOR_BONDS_OF_ATOM(b,p)     for( OBAtomBondIter     b(p); b; ++b )

Here is an example:

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

      OBAtom atom;
      unsigned int tripleBondCount;
      FOR_BONDS_OF_ATOM(b, atom)
      {
         // 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
         if (b->GetBO() == 3)
            tripleBondCount++;
      }

Constructor & Destructor Documentation

Member Function Documentation

• obiter.h
• obiter.cpp