clipper::Grid_range Class Reference

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

#include <coords.h>

Inheritance diagram for clipper::Grid_range:

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_grid &	min () const
	access grid limits
const Coord_grid &	max () 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
Public Member Functions inherited from clipper::Grid
	Grid ()
	null constructor
	Grid (const int &nu, const int &nv, const int &nw)
	constructor: from nu,nv,nw
const int &	nu () const
	get nu
const int &	nv () const
	get nv
const int &	nw () const
int	size () const
	return size of grid array
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
String	format () const
	return formatted String representation
void	debug () const
Public Member Functions inherited from clipper::Vec3< int >
	Vec3 ()
	null constructor
bool	equals (const Vec3< int > &v, const int &tol) const
	test equality
const int &	operator[] (const int &i) const
	get element
Vec3< int >	unit () const
	return unit vector with same direction as this vector
bool	is_null () const
	test for null vector
String	format () const
	return formatted String representation
const Vec3< int > &	operator+= (const Vec3< int > &v)
	add another vector to this one
const Vec3< int > &	operator-= (const Vec3< int > &v)
	subtract another vector from this one

Additional Inherited Members
Static Public Member Functions inherited from clipper::Vec3< int >
static Vec3< int >	zero ()
	return zero vector
static Vec3< int >	null ()
	return null vector (only valid for floating point types)
static int	dot (const Vec3< int > &v1, const Vec3< int > &v2)
	Vector dot product (equivalent to *).
static Vec3< int >	cross (const Vec3< int > &v1, const Vec3< int > &v2)
	Vector cross product.

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

Grid_range() [1/3]

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.

Grid_range() [2/3]

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.

Grid_range() [3/3]

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

add_border()

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.

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

• coords.h
• coords.cpp