grid.h File Reference

Handle grids of values. More...

#include <openbabel/babelconfig.h>
#include <iosfwd>
#include <algorithm>
#include <vector>
#include <string>

Include dependency graph for grid.h:

This graph shows which files directly or indirectly include this file:

Go to the source code of this file.

Namespaces

namespace  OpenBabel

Classes

class  OBGrid
 A base grid class. More...
class  OBFloatGrid
 Handle floating-point 3D grids (e.g., charge density around an OBMol). More...
class  OBProxGrid
 A grid for determining the proximity of a given point to atoms in an OBMol. More...
class  OBScoreGrid
 A base class for scoring docking interactions between multiple molecules. More...

Defines

#define OBPolarGrid   0x01
#define OBLipoGrid   0x02

Enumerations

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


Detailed Description

Handle grids of values.


Define Documentation

#define OBPolarGrid   0x01

#define OBLipoGrid   0x02