Non-Crystallographic map operator container. More...

#include <container_map.h>

Inheritance diagram for clipper::CNXmap_operator< T >:

Public Member Functions
	CNXmap_operator ()
	null constructor
	CNXmap_operator (Container &parent, const String name="")
	constructor: do not initialise
	CNXmap_operator (Container &parent, const String name, const NXmap< T > &nxmap, const RTop_orth &nxop=RTop_orth(RTop<>::null()))
	constructor: inherit cell and grid
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
void	update ()
	hierarchical update
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 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_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>
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
Public Member Functions inherited from clipper::NX_operator
	NX_operator ()
	null constructor
	NX_operator (const Xmap_base &xmap, const NXmap_base &nxmap, const RTop_orth &rtop)
	constructor: from Xmap, NXmap, and operator
	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
void	init (const Xmap_base &xmap, const NXmap_base &nxmap, const RTop_orth &rtop)
	initialiser:: from Xmap, NXmap, and operator
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
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
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
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

◆ CNXmap_operator() [1/2]

template<class T>

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

constructor: do not initialise

The object is not initialised.

Parameters

parent	The objects parent.
name	The object name.

◆ CNXmap_operator() [2/2]

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

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.

Member Function Documentation

◆ init()

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

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.

◆ update()

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:

container_map.h

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ CNXmap_operator() [1/2]

◆ CNXmap_operator() [2/2]

Member Function Documentation

◆ init()

◆ update()