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:
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