grid.h File Reference

#include <openbabel/babelconfig.h>
#include <openbabel/math/vector3.h>
#include <openbabel/base.h>
#include <openbabel/mol.h>
#include <iosfwd>
#include <algorithm>
#include <vector>
#include <string>

Go to the source code of this file.

Classes
class	OBGrid
class	OBFloatGrid
class	OBProxGrid
class	OBScoreGrid

Namespaces
	OpenBabel

Macros
#define	OBPolarGrid   0x01 /* polar interactions? */
#define	OBLipoGrid   0x02 /* lipophilicity? */

Enumerations
enum	score_t { Undefined = -1, PLP, ChemScore }

Detailed Description

Handle grids of values.

Macro Definition Documentation

OBPolarGrid

#define OBPolarGrid   0x01 /* polar interactions? */

Referenced by OBProxGrid::PolarGrid().

OBLipoGrid

#define OBLipoGrid   0x02 /* lipophilicity? */

Referenced by OBProxGrid::LipoGrid().