Clipper
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Non-Crystallographic map operator container. More...
#include <container_map.h>
Public Member Functions | |
CNXmap_operator () | |
null constructor | |
CNXmap_operator (Container &parent, const String name="") | |
constructor: do not initialise More... | |
CNXmap_operator (Container &parent, const String name, const NXmap< T > &nxmap, const RTop_orth &nxop=RTop_orth(RTop<>::null())) | |
constructor: inherit cell and grid More... | |
void | init (const Cell &cell, const Grid_sampling &grid, const NXmap< T > &nxmap, const RTop_orth &nxop) |
initialier: supply or inherit cell, grid, NXmap, RTop_orth More... | |
void | update () |
hierarchical update More... | |
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Container (const String name="") | |
constructor: make null object or top object in a tree | |
Container (Container &parent, const String &path) | |
constructor: from any other member and a relative path | |
String | path () const |
get the path of this tree object | |
String | name () const |
get the name of this tree object | |
void | set_name (const String &name) |
set the name of this tree object | |
bool | is_destroyed_with_parent () const |
is this object to be destroyed when parent is destroyed? | |
void | set_destroyed_with_parent (const bool d=true) |
set this object to be destroyed when parent is destroyed | |
void | move (const String &path) |
'move' method moves this object to somewhere else in the hierarchy | |
bool | has_parent () const |
test if this object has a parent | |
const Container & | parent () const |
get the parent of this object | |
Container & | parent () |
get the parent of this object | |
int | num_children () const |
return number of children | |
const Container & | child (const int &i) const |
get the i'th child of this object | |
Container & | child (const int &i) |
get the i'th child of this object | |
const Container & | ultimate_parent () const |
get the ultimate parent of this object - the top of the tree | |
Container & | ultimate_parent () |
get the ultimate parent of this object - the top of the tree | |
Container * | parent_ptr () |
get the parent of this object (NULL on fail) | |
template<class T > | |
T * | parent_of_type_ptr () |
search up the tree for a parent of the specified type (NULL on fail) | |
Container * | find_path_ptr (const String &path) |
find an object using a directory-like path (NULL on fail) | |
virtual | ~Container () |
destructor: virtual | |
void | debug () |
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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 > | |
T | 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 | |
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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 > | |
T | 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 > | |
T | 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 | |
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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 | |
Non-Crystallographic map operator container.
CNXmap: This is an operator relating a non-crystallographic map into a crystallgraphic frame. It can inherit the crystallographic cell and grid sampling.
clipper::CNXmap_operator< T >::CNXmap_operator | ( | Container & | parent, |
const String | name = "" |
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) |
constructor: do not initialise
The object is not initialised.
parent | The objects parent. |
name | The object name. |
clipper::CNXmap_operator< T >::CNXmap_operator | ( | Container & | parent, |
const String | name, | ||
const NXmap< T > & | nxmap, | ||
const RTop_orth & | nxop = RTop_orth(RTop<>::null()) |
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constructor: inherit cell and grid
The object is initialised if the appropriate parent objects are available, and children are updated.
parent | The objects parent. |
name | The object name. |
nxmap | The non-crystal map object. |
nxop | The orth. operator mapping the NXmap into the crystal frame. |
void clipper::CNXmap_operator< T >::init | ( | const Cell & | cell, |
const Grid_sampling & | grid_sampling, | ||
const NXmap< T > & | nxmap, | ||
const RTop_orth & | nxop | ||
) |
initialier: supply or inherit cell, grid, NXmap, RTop_orth
An attempt is made to initialise the object using information from the supplied parameters, or if they are Null, from its parents in the hierarchy.
cell | The unit cell for the crystallographic frame. |
grid | The grid sampling for the crystallographic frame. |
nxmap | The non-crystal map object. |
nxop | The orth. operator mapping the NXmap into the crystal frame. |
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virtual |
hierarchical update
Hierarchical update. If this object is uninitialised, an attempt is made to initialise the object using information from its parents in the hierarchy. The childen of the object are then updated.
Reimplemented from clipper::Container.