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

Non-Crystallographic map operator container. More...

#include <container_map.h>

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

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...
 
- Public Member Functions inherited from clipper::Container
 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 Containerparent () const
 get the parent of this object
 
Containerparent ()
 get the parent of this object
 
int num_children () const
 return number of children
 
const Containerchild (const int &i) const
 get the i'th child of this object
 
Containerchild (const int &i)
 get the i'th child of this object
 
const Containerultimate_parent () const
 get the ultimate parent of this object - the top of the tree
 
Containerultimate_parent ()
 get the ultimate parent of this object - the top of the tree
 
Containerparent_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)
 
Containerfind_path_ptr (const String &path)
 find an object using a directory-like path (NULL on fail)
 
virtual ~Container ()
 destructor: virtual
 
void debug ()
 
- Public Member Functions inherited from clipper::NXmap_operator< T >
 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::CNXmap_operator< T >

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.

Constructor & Destructor Documentation

template<class T >
clipper::CNXmap_operator< T >::CNXmap_operator ( Container parent,
const String  name = "" 
)

constructor: do not initialise

The object is not initialised.

Parameters
parentThe objects parent.
nameThe object name.
template<class T >
clipper::CNXmap_operator< T >::CNXmap_operator ( Container parent,
const String  name,
const NXmap< T > &  nxmap,
const RTop_orth nxop = RTop_orth(RTop<>::null()) 
)

constructor: inherit cell and grid

The object is initialised if the appropriate parent objects are available, and children are updated.

Parameters
parentThe objects parent.
nameThe object name.
nxmapThe non-crystal map object.
nxopThe orth. operator mapping the NXmap into the crystal frame.

Member Function Documentation

template<class T >
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.

Parameters
cellThe unit cell for the crystallographic frame.
gridThe grid sampling for the crystallographic frame.
nxmapThe non-crystal map object.
nxopThe orth. operator mapping the NXmap into the crystal frame.
template<class T >
void clipper::CNXmap_operator< T >::update ( )
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.


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