45 #ifndef CLIPPER_NXMAP_OPERATOR
46 #define CLIPPER_NXMAP_OPERATOR
90 template<
class I,
class T,
class M> T
xmap_data(
const M& xmap,
const Coord_grid& c )
const;
143 {
return NX_operator::nxmap_data<I,T>( *nxmap_, c ); }
Grid coordinate.
Definition: coords.h:236
const Grid_sampling & grid_sampling() const
get the cell grid
Definition: xmap.h:113
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
Definition: nxmap_operator.h:139
bool is_null() const
test if object has been initialised
Definition: nxmap_operator.cpp:139
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
Definition: nxmap_operator.h:135
Orthogonal operator class.
Definition: coords.h:112
T xmap_data(const M &xmap, const Coord_grid &c) const
get value of xmap at nxmap grid coord using fastest appropriate method
Definition: nxmap_operator.h:187
const NXmap< T > & nxmap() const
get the target NXmap of this operator
Definition: nxmap_operator.h:146
Coord_map coord_map() const
convert to Coord_map
Definition: coords.h:747
RTop xfrac_nxgrid
xtal_cell -> nxmap operator
Definition: nxmap_operator.h:98
NXmap_base: base for non-crystallographic map class.
Definition: nxmap.h:66
fractional (cell) coordinates
Definition: coords.h:342
Cell object.
Definition: cell.h:121
Coord_map coord_map(const Coord_frac &c) const
convert xtal frac coord to nxmap map coord
Definition: nxmap_operator.h:82
map coordinate: this is like Coord_grid, but non-integer
Definition: coords.h:387
RTop nxgrid_xgrid
nxmap -> xtal_grid operator
Definition: nxmap_operator.h:101
RTop xgrid_nxgrid
xtal_grid -> nxmap operator
Definition: nxmap_operator.h:100
NXmap_operator()
null constructor
Definition: nxmap_operator.h:131
Xmap_base: base for crystallographic map class.
Definition: xmap.h:100
RTop nxgrid_xfrac
nxmap -> xtal_cell operator
Definition: nxmap_operator.h:99
Grid sampling of a unit cell.
Definition: coords.h:515
bool x_nx_is_trn
true if int operator exists and is pure transln
Definition: nxmap_operator.h:105
T nxmap_data(const M &nxmap, const Coord_grid &c) const
get value of nxmap at xmap grid coord using fastest appropriate method
Definition: nxmap_operator.h:165
bool nx_x_is_int
true if int operator exists
Definition: nxmap_operator.h:106
bool nx_x_is_trn
true if int operator exists and is pure transln
Definition: nxmap_operator.h:107
NXmap_operator: non-crystal map operator referencing a particular NXmap.
Definition: nxmap_operator.h:127
T nxmap_data(const Coord_grid &c) const
access NXmap directly from xmap grid coord using fastest method
Definition: nxmap_operator.h:142
RTop< int > nxgrid_xgrid_int
nxmap -> xtal_grid integer operator
Definition: nxmap_operator.h:103
bool x_nx_is_int
true if int operator exists
Definition: nxmap_operator.h:104
NXmap<T>: actual non-crystallographic map class.
Definition: nxmap.h:260
void init(const Xmap_base &xmap, const NXmap< T > &nxmap, const RTop_orth &rtop)
initialiser:: from Xmap, NXmap, and operator
Definition: nxmap_operator.h:137
NX_operator()
null constructor
Definition: nxmap_operator.cpp:50
const Cell & cell() const
get the cell
Definition: xmap.h:109
NXmap_operator(const Xmap_base &xmap, const NXmap< T > &nxmap, const RTop_orth &rtop)
constructor: from Xmap, NXmap, and operator
Definition: nxmap_operator.h:133
RTop< int > xgrid_nxgrid_int
xtal_grid -> nxmap integer operator
Definition: nxmap_operator.h:102
void init(const Xmap_base &xmap, const NXmap_base &nxmap, const RTop_orth &rtop)
initialiser:: from Xmap, NXmap, and operator
Definition: nxmap_operator.cpp:90
Coord_frac coord_frac(const Coord_map &c) const
convert nxmap map coord to xtal frac coord
Definition: nxmap_operator.h:85
NX_operator: non-crystal map operator.
Definition: nxmap_operator.h:67