OBAtomBondIter Class Reference

#include <openbabel/obiter.h>

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

Iterate over all bonds on an OBAtom.

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>

OpenBabel::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->GetBondOrder() == 3)
 tripleBondCount++;
}

Constructor & Destructor Documentation

OBAtomBondIter() [1/4]

OBAtomBondIter ( )

inline

OBAtomBondIter() [2/4]

OBAtomBondIter

(

OBAtom *

atm

)

OBAtomBondIter() [3/4]

OBAtomBondIter

(

OBAtom &

atm

)

OBAtomBondIter() [4/4]

OBAtomBondIter

(

const OBAtomBondIter &

bi

)

~OBAtomBondIter()

~OBAtomBondIter ( )

inline

Member Function Documentation

operator=()

OBAtomBondIter & operator=

(

const OBAtomBondIter &

bi

)

operator bool()

operator bool ( ) const

inline

Returns

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

operator++() [1/2]

OBAtomBondIter & operator++

(

)

Preincrement – advance to the next bond and return.

operator++() [2/2]

OBAtomBondIter operator++

(

int

)

Postincrement – return the current state and advance to the next bond.

operator->()

OBBond* operator-> ( ) const

inline

Returns

a pointer to the current bond

operator*()

OBBond& operator* ( ) const

inline

Returns

a reference to the current bond

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

• obiter.h
• obiter.cpp