OBMolBondIter Class Reference

#include <openbabel/obiter.h>

Public Member Functions
	OBMolBondIter ()
	OBMolBondIter (OBMol *mol)
	OBMolBondIter (OBMol &mol)
	OBMolBondIter (const OBMolBondIter &bi)
	~OBMolBondIter ()
OBMolBondIter &	operator= (const OBMolBondIter &bi)
	operator bool () const
OBMolBondIter &	operator++ ()
OBMolBondIter	operator++ (int)
OBBond *	operator-> () const
OBBond &	operator* () const

Detailed Description

Iterate over all bonds in an OBMol.

To facilitate iteration through all bonds in a molecule, without resorting to bond indexes (which may change in the future), a variety of iterators are provided.

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

\#define FOR_BONDS_OF_MOL(b,m)     for( OBMolBondIter     b(m); b; ++b )

Here is an example:

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

OpenBabel::OBMol mol;
unsigned int bondOrderSum = 0;
FOR_BONDS_OF_MOL(b, mol)
{
   // 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
   bondOrderSum +=  b->GetBondOrder();
}

Constructor & Destructor Documentation

OBMolBondIter() [1/4]

OBMolBondIter ( )

inline

OBMolBondIter() [2/4]

OBMolBondIter

(

OBMol *

mol

)

OBMolBondIter() [3/4]

OBMolBondIter

(

OBMol &

mol

)

OBMolBondIter() [4/4]

OBMolBondIter

(

const OBMolBondIter &

bi

)

~OBMolBondIter()

~OBMolBondIter ( )

inline

Member Function Documentation

operator=()

OBMolBondIter & operator=

(

const OBMolBondIter &

bi

)

operator bool()

operator bool ( ) const

inline

Returns

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

operator++() [1/2]

OBMolBondIter & operator++

(

)

Preincrement – advance to the next bond and return.

operator++() [2/2]

OBMolBondIter operator++

(

int

)

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

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