#include <hkl_data.h>

Inheritance diagram for clipper::HKL_data_base:

Public Types
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.
Public Member Functions
virtual void	init (const HKL_info &hkl_info, const Cell &cell)
	initialiser: from parent hkl_info and cell
virtual void	init (const HKL_data_base &hkl_data)
	initialiser: from another hkl_data
virtual void	init (const Spacegroup &spacegroup, const Cell &cell, const HKL_sampling &hkl_sampling)
	[CLIPPER2] initialiser: from spacegroup, cell, and HKL_sampling
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)
virtual void	update ()=0
	update: synchornize info with parent HKL_info
virtual String	type () const =0
	get data type (a list of names corresponding to the im/export values)
virtual bool	missing (const int &index) const =0
	check if a data entry in the list is marked as 'missing'
virtual void	set_null (const int &index)=0
	set data entry in the list to its null value
virtual int	data_size () const =0
	return number of data elements in this type
virtual String	data_names () const =0
	return names of data elements in this type
virtual void	data_export (const HKL &hkl, xtype array[]) const =0
	conversion to array (for I/O)
virtual void	data_import (const HKL &hkl, const xtype array[])=0
	conversion from array (for I/O)
virtual void	mask (const HKL_data_base &mask)=0
	mask the data by marking any data missing in 'mask' as missing
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
Protected Member Functions
	HKL_data_base ()
	null constructor
virtual	~HKL_data_base ()
	destructor
Protected Attributes
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

HKL_data_base.

This is the virtual base for the typed hkl_data objects. It exists to guarantee and interface by which data can be managed without knowledge of the specific data type.

Constructor & Destructor Documentation

clipper::HKL_data_base::HKL_data_base ( ) [protected]

null constructor

For later initialisation: see init()

References clipper::Message::message().

Member Function Documentation

void clipper::HKL_data_base::init	(	const HKL_info &	hkl_info,
		const Cell &	cell
	)		`[virtual]`

initialiser: from parent hkl_info and cell

Initialise the object using a given reflection list and cell.

Parameters:

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

Reimplemented in clipper::CHKL_data< T >, clipper::HKL_data< T >, clipper::HKL_data< T1 >, clipper::HKL_data< T2 >, clipper::HKL_data< datatypes::F_sigF< float > >, and clipper::HKL_data< datatypes::ABCD< float > >.

References clipper::HKL_info::cell(), cell(), clipper::Cell::equals(), and hkl_info().

Referenced by init().

void clipper::HKL_data_base::init ( const HKL_data_base & hkl_data ) [virtual]

initialiser: from another hkl_data

Initialise the object using a given reflection list and cell.

Parameters:

hkl_data Object from which to inherit spacegrpoup, cell, sampling.

Reimplemented in clipper::HKL_data< T >, clipper::HKL_data< T1 >, clipper::HKL_data< T2 >, clipper::HKL_data< datatypes::F_sigF< float > >, and clipper::HKL_data< datatypes::ABCD< float > >.

void clipper::HKL_data_base::init	(	const Spacegroup &	spacegroup,
		const Cell &	cell,
		const HKL_sampling &	hkl_sampling
	)		`[virtual]`

[CLIPPER2] initialiser: from spacegroup, cell, and HKL_sampling

Initialise the object using a given spacegroup, cell, and sampling.

Parameters:

spacegroup	The spacegroup for this datalist.
cell	The unit cell for this datalist.
hkl_sampling	The reflection list description.

Reimplemented in clipper::CHKL_data< T >, clipper::HKL_data< T >, clipper::HKL_data< T1 >, clipper::HKL_data< T2 >, clipper::HKL_data< datatypes::F_sigF< float > >, and clipper::HKL_data< datatypes::ABCD< float > >.

References clipper::ObjectCache< T >::cache(), cacheref, cell(), hkl_sampling(), init(), clipper::HKL_sampling::is_null(), clipper::Cell::is_null(), clipper::Spacegroup::is_null(), clipper::HKL_sampling::resolution(), and spacegroup().

bool clipper::HKL_data_base::is_null ( ) const

test if object has been initialised

Returns:: true if the object has not been initalised.

References clipper::Cell::is_null(), and clipper::HKL_info::is_null().

Referenced by clipper::CHKL_data< T >::update().

ftype clipper::HKL_data_base::invresolsq ( const int & index ) const

get resolution by reflection index (based on true cell)

Return the resolution of a particular reflection. If the cell of this list closely matches (to within 0.5A) the cell of the parent list, this is a simple lookup, otherwise a metric calculation is required.

Reimplemented in clipper::HKL_data< T >, clipper::HKL_data< T1 >, clipper::HKL_data< T2 >, clipper::HKL_data< datatypes::F_sigF< float > >, and clipper::HKL_data< datatypes::ABCD< float > >.

References base_cell(), base_hkl_info(), clipper::HKL_info::hkl_of(), clipper::HKL::invresolsq(), and clipper::HKL_info::invresolsq().

Referenced by clipper::HKL_info::HKL_reference_base::invresolsq(), and invresolsq_range().

Range< ftype > clipper::HKL_data_base::invresolsq_range ( ) const

get resolution limits of the list (based on true cell and missing data)