clipper::Grid_range Class Reference

Grid range class: defines array limits for a grid. More...

#include <coords.h>

Inheritance diagram for clipper::Grid_range:

clipper::Grid clipper::Vec3< int >

List of all members.

Public Member Functions

 Grid_range ()
 null constructor
 Grid_range (const Coord_grid &min, const Coord_grid &max)
 constructor: takes grid limits
 Grid_range (const Grid &grid, const Coord_frac &min, const Coord_frac &max)
 constructor: takes cell grid and fractional limits
 Grid_range (const Cell &cell, const Grid &grid, const ftype &radius)
 constructor: make grid to hold a sphere from cell, grid, radius
const Coord_gridmin () const
 access grid limits
const Coord_gridmax () const
 access grid limits
void add_border (const int b)
 border: increase grid to include given border
bool in_grid (Coord_grid g) const
 determine if a point is in the grid
int index (const Coord_grid &c) const
 grid indexing operator
Coord_grid deindex (const int &index) const
 grid deindexing operator


Detailed Description

Grid range class: defines array limits for a grid.

This class is used for describing 3D grids covering an arbitrary part of the 3D space, i.e. which do not start from (0,0,0).


Constructor & Destructor Documentation

clipper::Grid_range::Grid_range ( const Coord_grid min,
const Coord_grid max 
)

constructor: takes grid limits

Make a map grid with an oblong bounded by the coordinates min and max.

Parameters:
min The lower bound coordinate in u,v,w.
max The upper bound coordinate in u,v,w.

clipper::Grid_range::Grid_range ( const Grid g,
const Coord_frac min,
const Coord_frac max 
)

constructor: takes cell grid and fractional limits

Make a map grid with an oblong bounded by the fractional coordinates min and max, when the sampling of the cell is g

Parameters:
g The grid sampling of the whole unit cell.
min The lower bound coordinate in u,v,w.
max The upper bound coordinate in u,v,w.

clipper::Grid_range::Grid_range ( const Cell cell,
const Grid grid,
const ftype radius 
)

constructor: make grid to hold a sphere from cell, grid, radius

Make a map grid large enough to fully enclose a sphere about the origin of a given radius with a given cell and grid sampling.

Parameters:
cell The cell parameters.
grid The grid sampling of the whole cell.
radius The radius of the sphere in Angstroms.


Member Function Documentation

void clipper::Grid_range::add_border ( const int  b  ) 

border: increase grid to include given border

Enlarge the grid by adding b cells in every direction. Will shrink the grid if b is negative.

Parameters:
b The number of cells by which to enlarge/shrink.


The documentation for this class was generated from the following files:

Generated on Fri Jun 12 18:03:40 2009 for Clipper by  doxygen 1.5.9