Open Babel  3.0
Namespaces | Macros | Variables
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))