pointgroup.cpp File Reference

Brute-force point group detection. More...

#include <openbabel/babelconfig.h>
#include <openbabel/mol.h>
#include <openbabel/atom.h>
#include <openbabel/pointgroup.h>
#include <iostream>
#include <string>
#include <math.h>

Namespaces

namespace  OpenBabel

Defines

#define M_PI   3.1415926535897932384626433832795028841971694
#define DIMENSION   3
#define MAXPARAM   7
#define PointGroupsCount   (sizeof(PointGroups)/sizeof(POINT_GROUP))

Variables

POINT_GROUP PointGroups []

Detailed Description

Brute-force point group detection.

Define Documentation

#define M_PI   3.1415926535897932384626433832795028841971694

#define DIMENSION   3

#define MAXPARAM   7

#define PointGroupsCount   (sizeof(PointGroups)/sizeof(POINT_GROUP))