OBAtomAtomIter Class Reference

#include <openbabel/obiter.h>

List of all members.

Public Member Functions
	OBAtomAtomIter ()
	OBAtomAtomIter (OBAtom *atm)
	OBAtomAtomIter (OBAtom &atm)
	OBAtomAtomIter (const OBAtomAtomIter &ai)
	~OBAtomAtomIter ()
OBAtomAtomIter &	operator= (const OBAtomAtomIter &ai)
	operator bool () const
OBAtomAtomIter &	operator++ ()
OBAtomAtomIter	operator++ (int)
OBAtom *	operator-> () const
OBAtom &	operator* () const

Detailed Description

To facilitate iteration through all neighbors of 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_NBORS_OF_ATOM(a,p)     for( OBAtomAtomIter     a(p); a; ++a )

Here is an example:

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

      OBMol mol;
      FOR_ATOMS_OF_MOL(a, mol)
      {
         // The variable a behaves like OBAtom* when used with -> and * but
         // but needs to be explicitly converted when appearing as a parameter
         // in a function call - use &*a
         FOR_NBORS_OF_ATOM(b, &*a)
         {
            ...
         }
      }

Constructor & Destructor Documentation

Member Function Documentation

• obiter.h
• obiter.cpp