OBPointGroup Class Reference

Brute-force point group symmetry perception. More...

#include <openbabel/pointgroup.h>

List of all members.

Public Member Functions

 OBPointGroup ()
 ~OBPointGroup ()
void Setup (OBMol *)
const char * IdentifyPointGroup ()

Protected Attributes

PointGroupPrivate * d


Detailed Description

Brute-force point group symmetry perception.

Since:
version 2.2
This class performs brute-force point group symmetry perception to yield symmetry identifiers. In the future, this should provide optimized symmetry-derived coordinates as well.

Constructor & Destructor Documentation

OBPointGroup (  ) 

~OBPointGroup (  ) 


Member Function Documentation

void Setup ( OBMol mol  ) 

Set the point group detection for this molecule.

const char * IdentifyPointGroup (  ) 

Returns:
the 3D point group symbol for this molecule


Member Data Documentation

PointGroupPrivate* d [protected]


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