Open Babel
3.0
|
#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 [] |
Brute-force point group detection.
#define M_PI 3.1415926535897932384626433832795028841971694 |
#define DIMENSION 3 |
#define MAXPARAM 7 |
#define PointGroupsCount (sizeof(PointGroups)/sizeof(POINT_GROUP)) |