clipper::CNXmap< T > Class Template Reference

Non-Crystallographic map container. More...

#include <container_map.h>

Inheritance diagram for clipper::CNXmap< T >:

Public Member Functions
	CNXmap ()
	null constructor
	CNXmap (Container &parent, const String name="")
	constructor:
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
virtual void	update ()
	update: hierarchical content update function
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 ()
Public Member Functions inherited from clipper::NXmap< T >
	NXmap ()
	Null constructor, for later initialisation.
	NXmap (const Grid &grid, const RTop<> &rt)
	Constructor: takes grid and orthogonal->grid coordinate operator.
	NXmap (const Cell &cell, const Grid_sampling &grid, const Grid_range &grid_extent)
	Constructor: takes grid, cell, and extent.
void	init (const Grid &grid, const RTop<> &rt)
	initialiser: takes grid and orthogonal->grid coordinate operator
void	init (const Cell &cell, const Grid_sampling &grid, const Grid_range &grid_extent)
	initialiser: takes grid, cell, and fraction limits
const T &	operator[] (const NXmap_base::Map_reference_index i) const
	get data by Map_reference_index
T &	operator[] (const NXmap_base::Map_reference_index i)
	set data by Map_reference_index
const T &	operator[] (const NXmap_base::Map_reference_coord i) const
	get data by Map_reference_coord
T &	operator[] (const NXmap_base::Map_reference_coord i)
	set data by Map_reference_coord
const T &	get_data (const Coord_grid &pos) const
	get a density value for an arbitrary position
void	set_data (const Coord_grid &pos, const T &val)
	set a density value for an arbitrary position
template<class I>
T	interp (const Coord_map &pos) const
	get map value for map coord using supplied interpolator
template<class I>
void	interp_grad (const Coord_map &pos, T &val, Grad_map< T > &grad) const
	get map value and grad for map coord using supplied interpolator
template<class I>
void	interp_curv (const Coord_map &pos, T &val, Grad_map< T > &grad, Curv_map< T > &curv) const
	get map value and curv for map coord using supplied interpolator
const Grid &	grid () const
const RTop	operator_orth_grid () const
const RTop	operator_grid_orth () const
const Coord_orth	coord_orth (const Coord_map &cg) const
const Coord_map	coord_map (const Coord_orth &co) const
const Map_reference_index	first ()
const Map_reference_coord	first_coord ()
const T &	operator= (const T &value)
	assignment operator: assigns a single value to the whole map
const NXmap< T > &	operator+= (const NXmap< T > &other)
	add another map to this one
const NXmap< T > &	operator-= (const NXmap< T > &other)
	subtract another map from this one
Public Member Functions inherited from clipper::NXmap_base
bool	is_null () const
	test if object has been initialised
const Grid &	grid () const
	return the grid dimensions for this map
const RTop &	operator_orth_grid () const
	return the orthogonal-to-grid coordinate operator
const RTop &	operator_grid_orth () const
	return the grid-to-orthogonal coordinate operator
Coord_orth	coord_orth (const Coord_map &cm) const
	convert map coordinate to orthogonal
Coord_map	coord_map (const Coord_orth &co) const
	convert orthogonal coordinate to map
bool	in_map (const Coord_grid &pos) const
	is the given coord available in the map?
template<class I>
bool	in_map (const Coord_map &cm) const
	is the given coord available in the map using the given interpolant?
int	multiplicity (const Coord_grid &) const
	get multiplicity of a map grid point (always 1 for NXmap)
Map_reference_index	first () const
	return a basic Map_reference_index for this map
Map_reference_coord	first_coord () const
	return a coord Map_reference_index for this map

Additional Inherited Members
Protected Member Functions inherited from clipper::NXmap_base
	NXmap_base ()
	Null constructor, for later initialisation.
void	init (const Grid &grid, const RTop<> &rt)
	initialiser: takes grid and orthogonal->grid coordinate operator
void	init (const Cell &cell, const Grid_sampling &grid, const Grid_range &grid_extent)
	initialiser: takes grid, cell, and fraction limits
Protected Attributes inherited from clipper::NXmap_base
Grid	grid_
	grid for the map
RTop	rt_orth_grid
	orth->grid operator
RTop	rt_grid_orth
	grid->orth operator
int	du
int	dv
int	dw
	steps for shifts along u,v,w

Detailed Description

template<class T>
class clipper::CNXmap< T >

Non-Crystallographic map container.

CNXmap: This is a non-crystallographic map. Since it does not exist in a crystallographic frame, it does not inherit anything.

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

• container_map.h