Reflection data list container. More...

#include <container_hkl.h>

Inheritance diagram for clipper::CHKL_data< T >:

Public Member Functions
	CHKL_data ()
	null constructor
	CHKL_data (Container &parent, const String name="")
	constructor: inherit datalist and cell
void	init (const HKL_info &hkl_info, const Cell &cell)
	initialiser: supply or inherit hkl list, and cell
void	init (const Spacegroup &spacegroup, const Cell &cell, const HKL_sampling &hkl_sampling)
	initialiser: from spacegroup, cell, and HKL_sampling
void	update ()
	hierarchical update
HKL_data< T > &	operator= (const HKL_data< T > &other)
	assignment operator: copies the data from another list
HKL_data< T > &	operator= (const T &value)
	assignment operator: assigns a single value to the whole list
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::HKL_data< T >
	HKL_data ()
	null constructor
	HKL_data (const HKL_info &hkl_info)
	constructor: from parent hkl_info
	HKL_data (const HKL_info &hkl_info, const Cell &cell)
	constructor: from parent hkl_info and cell
	HKL_data (const Spacegroup &spacegroup, const Cell &cell, const HKL_sampling &hkl_sampling)
	[CLIPPER2] constructor: from spacegroup, cell and hkl_sampling
	HKL_data (const HKL_data_base &hkl_data)
	[CLIPPER2] constructor: from another HKL_data object
void	init (const HKL_info &hkl_info, const Cell &cell)
	initialiser: from parent hkl_info and cell
void	init (const Spacegroup &spacegroup, const Cell &cell, const HKL_sampling &hkl_sampling)
	[CLIPPER2] initialiser: from spacegroup, cell, and HKL_sampling
void	init (const HKL_data_base &hkl_data)
	[CLIPPER2] initialiser: from another HKL_data object
void	update ()
	update: synchornize info with parent HKL_info
String	type () const
	get data type (a list of names corresponding to the im/export values)
bool	missing (const int &index) const
	check if a data entry in the list is marked as 'missing'
void	set_null (const int &index)
	set data entry in the list to its null value
int	data_size () const
	return number of data elements in this type
String	data_names () const
	return names of data elements in this type
void	data_export (const HKL &hkl, xtype array[]) const
	conversion to array (for I/O)
void	data_import (const HKL &hkl, const xtype array[])
	conversion from array (for I/O)
void	mask (const HKL_data_base &mask)
const T &	operator[] (const HKL_info::HKL_reference_index &i) const
	get data by reflection HKL_reference_index
T &	operator[] (const HKL_info::HKL_reference_index &i)
	set data by reflection HKL_reference_index
T	operator[] (const HKL_info::HKL_reference_coord &ih) const
	get data by HKL_reference_coord
bool	get_data (const HKL_info::HKL_reference_coord &ih, T &data) const
	get data by HKL_reference_coord (returns false if no equivalent hkl)
bool	set_data (const HKL_info::HKL_reference_coord &ih, const T &data)
	set data by HKL_reference_coord (returns false if no equivalent hkl)
const T &	operator[] (const int &index) const
	get data by reflection index
T &	operator[] (const int &index)
	set data by reflection index
T	operator[] (const HKL &hkl) const
	get data by hkl (returns missing if no equivalent hkl)
bool	get_data (const HKL &hkl, T &data) const
	get data by hkl (returns false if no equivalent hkl)
bool	set_data (const HKL &hkl, const T &data)
	set data by hkl (returns false if no equivalent hkl)
template<class C>
void	compute (const C &op)
	Basic computation: fill this data list by function call.
template<class S, class C>
void	compute (const HKL_data< S > &src, const C &op)
	Unary computation: fill this data list by computation from another.
template<class S1, class S2, class C>
void	compute (const HKL_data< S1 > &src1, const HKL_data< S2 > &src2, const C &op)
	Binary computation: fill this data list by computation from another.
const HKL_info &	base_hkl_info () const
const Cell &	base_cell () const
const ftype	invresolsq (const int &index) const
const Range< ftype >	invresolsq_range () const
const int	num_obs () const
HKL_reference_index	first () const
HKL_reference_index	first_data () const
HKL_reference_index &	next_data (HKL_reference_index &ih) const
HKL_data< T > &	operator= (const HKL_data< T > &other)
	assignment operator: copies the data from another list
HKL_data< T > &	operator= (const T &value)
	assignment operator: assigns a single value to the whole list
void	debug () const
Public Member Functions inherited from clipper::HKL_data_base
bool	is_null () const
	test if object has been initialised
const HKL_info &	base_hkl_info () const
	get the parent HKL_info object
const Cell &	base_cell () const
	get the parent cell
const Spacegroup &	spacegroup () const
	[CLIPPER2] get spacegroup
const Cell &	cell () const
	[CLIPPER2] get cell
const Resolution &	resolution () const
	[CLIPPER2] get resolution
const HKL_sampling &	hkl_sampling () const
	[CLIPPER2] get HKL_sampling
const HKL_info &	hkl_info () const
	[CLIPPER2] get HKL_info object
ftype	invresolsq (const int &index) const
	get resolution by reflection index (based on true cell)
Range< ftype >	invresolsq_range () const
	get resolution limits of the list (based on true cell and missing data)
int	num_obs () const
	get number of observations in this list (based on missing data)
HKL_reference_index	first () const
	return HKL_reference_index pointing to first reflection
HKL_reference_index	first_data () const
	return HKL_reference_index pointing to first non-missing data
HKL_reference_index &	next_data (HKL_reference_index &ih) const
	increment HKL_reference_index to next non-missing data
void	debug () const

Additional Inherited Members
Public Types inherited from clipper::HKL_data_base
typedef HKL_info::HKL_reference_index	HKL_reference_index
	Basic HKL_reference_index: see HKL_info.
typedef HKL_info::HKL_reference_coord	HKL_reference_coord
	HKL HKL_reference_index: see HKL_info.
Protected Member Functions inherited from clipper::HKL_data_base
	HKL_data_base ()
	null constructor
virtual	~HKL_data_base ()
	destructor
Protected Attributes inherited from clipper::HKL_data< T >
std::vector< T >	list
Protected Attributes inherited from clipper::HKL_data_base
const HKL_info *	parent_hkl_info
const Cell *	parent_cell
bool	cell_matches_parent
ObjectCache< HKL_data_cacheobj >::Reference	cacheref
	object cache ref
Spacegroup	spacegroup_
Cell	cell_
HKL_sampling	hkl_sampling_
Resolution	resolution_

Detailed Description

template<class T>
class clipper::CHKL_data< T >

Reflection data list container.

CHKL_data: This is the list object containing the actual data. It must be indexed by a parent HKL list.

Constructor & Destructor Documentation

◆ CHKL_data()

template<class T>

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

constructor: inherit datalist and cell

The object is constructed at the given location in the hierarchy. An attempt is made to initialise the object using information from its parents in the hierarchy.

Parameters

parent	An object in the hierarchy (usually the parent of the new object).
name	The path from `parent` to the new object (usually just the name of the new object).

Member Function Documentation

◆ init() [1/2]

template<class T>

void clipper::CHKL_data< T >::init	(	const HKL_info &	hkl_info,
		const Cell &	cell )

virtual

initialiser: supply or inherit hkl list, and cell

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

hkl_info	The reflection list object for this datalist.
cell	The cell object for this datalist.

Reimplemented from clipper::HKL_data_base.

◆ init() [2/2]

template<class T>

void clipper::CHKL_data< T >::init	(	const Spacegroup &	spacegroup,
		const Cell &	cell,
		const HKL_sampling &	hkl_sampling )

inlinevirtual

initialiser: from spacegroup, cell, and HKL_sampling

Reimplemented from clipper::HKL_data_base.

◆ update()

template<class T>

void clipper::CHKL_data< 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.

The data list is also synchronized with the parent reflection list.

Reimplemented from clipper::Container.

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

container_hkl.h

Public Member Functions

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ CHKL_data()

Member Function Documentation

◆ init() [1/2]

◆ init() [2/2]

◆ update()