OBMolRingIter Class Reference
Iterate over all rings in an OBMol. More...
#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 | ( | ) | [inline] |
OBMolRingIter | ( | OBMol * | mol | ) |
OBMolRingIter | ( | OBMol & | mol | ) |
OBMolRingIter | ( | const OBMolRingIter & | ri | ) |
~OBMolRingIter | ( | ) | [inline] |
Member Function Documentation
OBMolRingIter & operator= | ( | const OBMolRingIter & | ri | ) |
operator bool | ( | ) | const [inline] |
- Returns:
- Whether the iterator can advance (i.e., there are more rings)
OBMolRingIter & operator++ | ( | ) |
Preincrement -- advance to the next ring (if any) and return.
Referenced by OBMolRingIter::operator++().
OBMolRingIter operator++ | ( | int | ) |
Postincrement -- return the current state and advance to the next ring.
OBRing* operator-> | ( | ) | const [inline] |
- Returns:
- A pointer to the current ring (if any)
OBRing& operator* | ( | ) | const [inline] |
- Returns:
- A reference to the current ring (if any)
The documentation for this class was generated from the following files: