OBMolRingIter Class Reference

#include <openbabel/obiter.h>

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

Detailed Description

Iterate over all rings in an OBMol.

Since

version 2.1

To facilitate iteration through all rings in a molecule, without resorting to ring indexes (which may change in the future) a variety of iterator classes and methods are provided. One word of warning is that these iterator methods automatically call OBMol::FindSSSR() which may involve a significant performance hit on large molecules.

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

\#define FOR_RINGS_OF_MOL(r,m) for( OBMolRingIter r(m); r; ++r )

Here is an example:

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

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

}

Constructor & Destructor Documentation

OBMolRingIter() [1/4]

OBMolRingIter ( )

inline

OBMolRingIter() [2/4]

OBMolRingIter

(

OBMol *

mol

)

OBMolRingIter() [3/4]

OBMolRingIter

(

OBMol &

mol

)

OBMolRingIter() [4/4]

OBMolRingIter

(

const OBMolRingIter &

ri

)

~OBMolRingIter()

~OBMolRingIter ( )

inline

Member Function Documentation

operator=()

OBMolRingIter & operator=

(

const OBMolRingIter &

ri

)

operator bool()

operator bool ( ) const

inline

Returns

Whether the iterator can advance (i.e., there are more rings)

operator++() [1/2]

OBMolRingIter & operator++

(

)

Preincrement – advance to the next ring (if any) and return.

Referenced by OBMolRingIter::operator++().

operator++() [2/2]

OBMolRingIter operator++

(

int

)

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

operator->()

OBRing* operator-> ( ) const

inline

Returns

A pointer to the current ring (if any)

operator*()

OBRing& operator* ( ) const

inline

Returns

A reference to the current ring (if any)

---

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

• obiter.h
• obiter.cpp