OBMolBondIter Class Reference

Iterate over all bonds in an OBMol. More...

#include <openbabel/obiter.h>

List of all members.

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

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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>

      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->GetBO();
      }

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Constructor & Destructor Documentation

OBMolBondIter

(

)

[inline]

OBMolBondIter

(

OBMol *

mol )

OBMolBondIter

(

OBMol &

mol )

OBMolBondIter

(

const OBMolBondIter &

bi )

~OBMolBondIter

(

)

[inline]

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Member Function Documentation

OBMolBondIter & operator=

(

const OBMolBondIter &

bi )

operator bool

(

)

const [inline]

Returns:

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

OBMolBondIter & operator++

(

)

Preincrement -- advance to the next bond and return.

Referenced by OBMolBondIter::operator++().

OBMolBondIter operator++

(

int

)

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

OBBond* operator->

(

)

const [inline]

Returns:

a pointer to the current bond

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