Open Babel: OBPointGroup Class Reference

Public Member Functions | Protected Attributes

# 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:

- pointgroup.h
- pointgroup.cpp

All Classes Namespaces Files Functions Variables Typedefs Enumerations Enumerator Friends Defines