pointgroup.cpp File Reference

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

Namespaces
	OpenBabel

Macros
#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.

Macro Definition Documentation

M_PI

#define M_PI   3.1415926535897932384626433832795028841971694

DIMENSION

#define DIMENSION   3

MAXPARAM

#define MAXPARAM   7

PointGroupsCount

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