Clipper
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Reflection data list container. More...
#include <container_hkl.h>
Public Member Functions | |
CHKL_data () | |
null constructor | |
CHKL_data (Container &parent, const String name="") | |
constructor: inherit datalist and cell More... | |
void | init (const HKL_info &hkl_info, const Cell &cell) |
initialiser: supply or inherit hkl list, and cell More... | |
void | init (const Spacegroup &spacegroup, const Cell &cell, const HKL_sampling &hkl_sampling) |
initialiser: from spacegroup, cell, and HKL_sampling | |
void | update () |
hierarchical update More... | |
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 | |
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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 () |
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HKL_data () | |
null constructor | |
HKL_data (const HKL_info &hkl_info) | |
constructor: from parent hkl_info More... | |
HKL_data (const HKL_info &hkl_info, const Cell &cell) | |
constructor: from parent hkl_info and cell More... | |
HKL_data (const Spacegroup &spacegroup, const Cell &cell, const HKL_sampling &hkl_sampling) | |
[CLIPPER2] constructor: from spacegroup, cell and hkl_sampling More... | |
HKL_data (const HKL_data_base &hkl_data) | |
[CLIPPER2] constructor: from another HKL_data object More... | |
void | init (const HKL_info &hkl_info, const Cell &cell) |
initialiser: from parent hkl_info and cell More... | |
void | init (const Spacegroup &spacegroup, const Cell &cell, const HKL_sampling &hkl_sampling) |
[CLIPPER2] initialiser: from spacegroup, cell, and HKL_sampling More... | |
void | init (const HKL_data_base &hkl_data) |
[CLIPPER2] initialiser: from another HKL_data object More... | |
void | update () |
update: synchornize info with parent HKL_info More... | |
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 More... | |
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) More... | |
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) More... | |
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) More... | |
bool | get_data (const HKL &hkl, T &data) const |
get data by hkl (returns false if no equivalent hkl) More... | |
bool | set_data (const HKL &hkl, const T &data) |
set data by hkl (returns false if no equivalent hkl) More... | |
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 More... | |
HKL_data< T > & | operator= (const T &value) |
assignment operator: assigns a single value to the whole list More... | |
void | debug () const |
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bool | is_null () const |
test if object has been initialised More... | |
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) More... | |
Range< ftype > | invresolsq_range () const |
get resolution limits of the list (based on true cell and missing data) More... | |
int | num_obs () const |
get number of observations in this list (based on missing data) More... | |
HKL_reference_index | first () const |
return HKL_reference_index pointing to first reflection More... | |
HKL_reference_index | first_data () const |
return HKL_reference_index pointing to first non-missing data More... | |
HKL_reference_index & | next_data (HKL_reference_index &ih) const |
increment HKL_reference_index to next non-missing data More... | |
void | debug () const |
Additional Inherited Members | |
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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. | |
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HKL_data_base () | |
null constructor More... | |
virtual | ~HKL_data_base () |
destructor | |
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std::vector< T > | list |
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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_ |
Reflection data list container.
CHKL_data: This is the list object containing the actual data. It must be indexed by a parent HKL list.
clipper::CHKL_data< T >::CHKL_data | ( | Container & | parent, |
const String | name = "" |
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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.
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). |
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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.
hkl_info | The reflection list object for this datalist. |
cell | The cell object for this datalist. |
Reimplemented from clipper::HKL_data_base.
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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.