grid.h File Reference
Handle grids of values. More...
#include <openbabel/babelconfig.h>
#include <openbabel/math/vector3.h>
#include <iosfwd>
#include <algorithm>
#include <vector>
#include <string>
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 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... | |
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().
