Clipper
Public Member Functions | List of all members
clipper::NXmap_operator< T > Class Template Reference

NXmap_operator: non-crystal map operator referencing a particular NXmap. More...

#include <nxmap_operator.h>

Inheritance diagram for clipper::NXmap_operator< T >:
clipper::NX_operator clipper::CNXmap_operator< T >

Public Member Functions

 NXmap_operator ()
 null constructor
 
 NXmap_operator (const Xmap_base &xmap, const NXmap< T > &nxmap, const RTop_orth &rtop)
 constructor: from Xmap, NXmap, and operator
 
 NXmap_operator (const Cell &cell, const Grid_sampling &grid, const NXmap< T > &nxmap, const RTop_orth &rtop)
 constructor: from cell, grid sampling, NXmap, and operator
 
void init (const Xmap_base &xmap, const NXmap< T > &nxmap, const RTop_orth &rtop)
 initialiser:: from Xmap, NXmap, and operator
 
void init (const Cell &cell, const Grid_sampling &grid, const NXmap< T > &nxmap, const RTop_orth &rtop)
 initialiser:: from cell, grid sampling, NXmap, and operator
 
template<class I >
nxmap_data (const Coord_grid &c) const
 access NXmap directly from xmap grid coord using fastest method
 
const NXmap< T > & nxmap () const
 get the target NXmap of this operator
 
- Public Member Functions inherited from clipper::NX_operator
 NX_operator ()
 null constructor More...
 
 NX_operator (const Xmap_base &xmap, const NXmap_base &nxmap, const RTop_orth &rtop)
 constructor: from Xmap, NXmap, and operator More...
 
 NX_operator (const Cell &cell, const Grid_sampling &grid, const NXmap_base &nxmap, const RTop_orth &rtop)
 constructor: from cell, grid sampling, NXmap, and operator More...
 
void init (const Xmap_base &xmap, const NXmap_base &nxmap, const RTop_orth &rtop)
 initialiser:: from Xmap, NXmap, and operator More...
 
void init (const Cell &cell, const Grid_sampling &grid, const NXmap_base &nxmap, const RTop_orth &rtop)
 initialiser:: from cell, grid sampling, NXmap, and operator More...
 
Coord_map coord_map (const Coord_frac &c) const
 convert xtal frac coord to nxmap map coord
 
Coord_frac coord_frac (const Coord_map &c) const
 convert nxmap map coord to xtal frac coord
 
template<class I , class T , class M >
nxmap_data (const M &nxmap, const Coord_grid &c) const
 get value of nxmap at xmap grid coord using fastest appropriate method More...
 
template<class I , class T , class M >
xmap_data (const M &xmap, const Coord_grid &c) const
 get value of xmap at nxmap grid coord using fastest appropriate method More...
 
bool is_null () const
 test if object has been initialised
 
void debug () const
 

Additional Inherited Members

- Protected Attributes inherited from clipper::NX_operator
RTop xfrac_nxgrid
 xtal_cell -> nxmap operator
 
RTop nxgrid_xfrac
 nxmap -> xtal_cell operator
 
RTop xgrid_nxgrid
 xtal_grid -> nxmap operator
 
RTop nxgrid_xgrid
 nxmap -> xtal_grid operator
 
RTop< int > xgrid_nxgrid_int
 xtal_grid -> nxmap integer operator
 
RTop< int > nxgrid_xgrid_int
 nxmap -> xtal_grid integer operator
 
bool x_nx_is_int
 true if int operator exists
 
bool x_nx_is_trn
 true if int operator exists and is pure transln
 
bool nx_x_is_int
 true if int operator exists
 
bool nx_x_is_trn
 true if int operator exists and is pure transln
 

Detailed Description

template<class T>
class clipper::NXmap_operator< T >

NXmap_operator: non-crystal map operator referencing a particular NXmap.

This class holds a reference to a non-crystal map object from somewhere within a crystallographic map frame. In the general case, an orthogonal rotation-translation operator is provided which maps the orthogonal frame of the crystal space onto the orthogonal frame of the NXmap space.

The object calculates and stores optimised transformations between the crystallgoraphic frame (described either in fractional or grid coordinates), and the NXmap grid. Fast paths are generated automatically if the grids are related.

Note
This object differes from NX_operator in that it keeps a reference to an individual NXmap, which may be used to access that object directly.

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