Clipper
Public Types | Public Member Functions | Protected Member Functions | Protected Attributes
clipper::HKL_data_base Class Reference

HKL_data_base. More...

#include <hkl_data.h>

Inheritance diagram for clipper::HKL_data_base:

List of all members.

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)

Returns:
The high and low resolution limits of the non-missing data.

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 first_data(), clipper::Range< T >::include(), clipper::HKL_info::HKL_reference_index::index(), invresolsq(), clipper::HKL_info::HKL_reference_index::last(), and next_data().

int clipper::HKL_data_base::num_obs ( ) const

get number of observations in this list (based on missing data)

Returns:
The number of non-missing data in the object.

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 first_data(), clipper::HKL_info::HKL_reference_index::last(), and next_data().

HKL_info::HKL_reference_index clipper::HKL_data_base::first ( ) const

return HKL_reference_index pointing to first reflection

Returns:
HKL reference to the first data in this object.

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 > >.

HKL_info::HKL_reference_index clipper::HKL_data_base::first_data ( ) const

return HKL_reference_index pointing to first non-missing data

Returns:
HKL reference to the first non-missing data in this object.

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 next_data().

Referenced by clipper::Resolution_ordinal::init(), invresolsq_range(), and num_obs().

HKL_info::HKL_reference_index & clipper::HKL_data_base::next_data ( HKL_info::HKL_reference_index &  ih ) const

increment HKL_reference_index to next non-missing data

Parameters:
ih The HKL reference to increment.
Returns:
HKL reference to the next non-missing data in this object.

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 clipper::HKL_info::HKL_reference_index::index(), clipper::HKL_info::HKL_reference_index::last(), missing(), and clipper::HKL_info::HKL_reference_index::next().

Referenced by first_data(), clipper::Resolution_ordinal::init(), invresolsq_range(), and num_obs().

The documentation for this class was generated from the following files:
Generated on Tue Oct 28 2014 for Clipper by  doxygen 1.7.4

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