OBAtomAtomIter Class Reference

Iterate over all neighboring atoms to an OBAtom. More...

#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

Iterate over all neighboring atoms to an OBAtom.

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)
         {
            ...
         }
      }

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Constructor & Destructor Documentation

OBAtomAtomIter

(

)

[inline]

OBAtomAtomIter

(

OBAtom *

atm )

OBAtomAtomIter

(

OBAtom &

atm )

OBAtomAtomIter

(

const OBAtomAtomIter &

ai )

~OBAtomAtomIter

(

)

[inline]

---

Member Function Documentation

OBAtomAtomIter & operator=

(

const OBAtomAtomIter &

ai )

operator bool

(

)

const [inline]

Returns:

Whether the iterator can still advance (i.e., visit more neighbors)

OBAtomAtomIter & operator++

(

)

Preincrement -- advance to the next neighbor and return.

Referenced by OBAtomAtomIter::operator++().

OBAtomAtomIter operator++

(

int

)

Postincrement -- return the current neighbor and advance to the next.

OBAtom* operator->

(

)

const [inline]

Returns:

a pointer to the current atom

OBAtom& operator*

(

)

const [inline]

Returns:

a reference to the current atom

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The documentation for this class was generated from the following files:

• obiter.h
• obiter.cpp