OBAtomAtomIter Class Reference

#include <openbabel/obiter.h>

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>

OpenBabel::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

OBAtomAtomIter() [1/4]

OBAtomAtomIter ( )

inline

OBAtomAtomIter() [2/4]

OBAtomAtomIter

(

OBAtom *

atm

)

OBAtomAtomIter() [3/4]

OBAtomAtomIter

(

OBAtom &

atm

)

OBAtomAtomIter() [4/4]

OBAtomAtomIter

(

const OBAtomAtomIter &

ai

)

~OBAtomAtomIter()

~OBAtomAtomIter ( )

inline

Member Function Documentation

operator=()

OBAtomAtomIter & operator=

(

const OBAtomAtomIter &

ai

)

operator bool()

operator bool ( ) const

inline

Returns

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

operator++() [1/2]

OBAtomAtomIter & operator++

(

)

Preincrement – advance to the next neighbor and return.

operator++() [2/2]

OBAtomAtomIter operator++

(

int

)

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

operator->()

OBAtom* operator-> ( ) const

inline

Returns

a pointer to the current atom

operator*()

OBAtom& operator* ( ) const

inline

Returns

a reference to the current atom

---

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

• obiter.h
• obiter.cpp