OBResidueIter Class Reference

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

#include <openbabel/obiter.h>

List of all members.

Public Member Functions
	OBResidueIter ()
	OBResidueIter (OBMol *mol)
	OBResidueIter (OBMol &mol)
	OBResidueIter (const OBResidueIter &ri)
	~OBResidueIter ()
OBResidueIter &	operator= (const OBResidueIter &ri)
	operator bool () const
OBResidueIter &	operator++ ()
OBResidueIter	operator++ (int)
OBResidue *	operator-> () const
OBResidue &	operator* () const

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Detailed Description

Iterate over all residues in an OBMol.

To facilitate iteration through all residues in a molecule, without resorting to residue 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_RESIDUES_OF_MOL(r,m)     for( OBResidueIter     r(m); r; ++r )

Here is an example:

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

      OBMol mol;
      FOR_RESIDUES_OF_MOL(r, mol)
      {
         // The variable r behaves like OBResidue* when used with -> and * but
         // but needs to be explicitly converted when appearing as a parameter
         // in a function call - use &*r

         if (r->GetName() == resname && r->GetNum() == rnum)
         {
            // got a match, let's go to work
            ...
         }
      }

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Constructor & Destructor Documentation

OBResidueIter

(

)

[inline]

OBResidueIter

(

OBMol *

mol )

OBResidueIter

(

OBMol &

mol )

OBResidueIter

(

const OBResidueIter &

ri )

~OBResidueIter

(

)

[inline]

---

Member Function Documentation

OBResidueIter & operator=

(

const OBResidueIter &

ri )

operator bool

(

)

const [inline]

Returns:

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

OBResidueIter & operator++

(

)

Preincrement -- advance to the next residue and return.

Referenced by OBResidueIter::operator++().

OBResidueIter operator++

(

int

)

Postincrement -- return the current state and advance to the next residue.

OBResidue* operator->

(

)

const [inline]

Returns:

a pointer to the current residue

OBResidue& operator*

(

)

const [inline]

Returns:

a reference to the current residue

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

• obiter.h
• obiter.cpp