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 []

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Detailed Description

Brute-force point group detection.

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Define Documentation

#define M_PI   3.1415926535897932384626433832795028841971694

#define DIMENSION   3

#define MAXPARAM   7

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