grid.h File Reference

Handle grids of values. More...

#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>
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Classes

class  OBGrid
 A base grid class. More...
class  OBFloatGrid
 Handle double precision 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...

Namespaces

namespace  OpenBabel

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

Referenced by OBProxGrid::PolarGrid().

#define OBLipoGrid   0x02

Referenced by OBProxGrid::LipoGrid().

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