OBPointGroup Class Reference
Brute-force point group symmetry perception. More...
#include <openbabel/pointgroup.h>
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: