Clipper
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Grid range class: defines array limits for a grid. More...
#include <coords.h>
Public Member Functions | |
Grid_range () | |
null constructor | |
Grid_range (const Coord_grid &min, const Coord_grid &max) | |
constructor: takes grid limits More... | |
Grid_range (const Grid &grid, const Coord_frac &min, const Coord_frac &max) | |
constructor: takes cell grid and fractional limits More... | |
Grid_range (const Cell &cell, const Grid &grid, const ftype &radius) | |
constructor: make grid to hold a sphere from cell, grid, radius More... | |
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 More... | |
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 | |
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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 |
get nw | |
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 More... | |
void | debug () const |
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Vec3 () | |
null constructor | |
Vec3 (const int &v0, const int &v1, const int &v2) | |
constructor: from individual values | |
Vec3 (const Vec3< TT > &v) | |
constructor: copy/convert | |
bool | equals (const Vec3< int > &v, const int &tol) const |
test equality | |
const int & | operator[] (const int &i) const |
get element | |
int & | operator[] (const int &i) |
set 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 | |
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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. | |
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).
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.
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
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. |
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.
cell | The cell parameters. |
grid | The grid sampling of the whole cell. |
radius | The radius of the sphere in Angstroms. |
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.
b | The number of cells by which to enlarge/shrink. |