List of data items in ./ddldic.c95
data_category.
_definition
;
Character string which identifies the natural grouping of data
items to which the specified data item belongs. If the data
item belongs in a looped list then it must be grouped only with
items from the same category, but there may be more than one
looped list of the same category provided that each loop has its
own independent reference item (see _list_reference).
;
_name '_category'
_category category
_type char
data_definition.
_definition
;
The text description of the defined item.
;
_name '_definition'
_category definition
_type char
data_dictionary_history.
_definition
;
A chronological record of the changes to the dictionary file
containing the definition. Normally this item is stored in the
separate data block labelled data_on_this_dictionary.
;
_name '_dictionary_history'
_category dictionary
_type char
data_dictionary_name.
_definition
;
The name string which identifies the generic identity of
dictionary. The standard construction for these names is
_.dic
Normally this item is stored in the separate data block
labelled data_on_this_dictionary.
;
_name '_dictionary_name'
_category dictionary
_type char
loop_
_example
ddl_core.dic
cif_mm_core.dic
data_dictionary_update.
_definition
;
The date that the dictionary was last updated.
Normally this item is stored in the separate data block
labelled data_on_this_dictionary.
;
_name '_dictionary_update'
_category dictionary
_type char
_type_construct (_chronology_year)-(_chronology_month)-(_chronology_day)
data_dictionary_version.
_definition
;
The dictionary version number. Version numbers cannot decrease
with updates. Normally this item is stored in the separate data
block labelled data_on_this_dictionary.
;
_name '_dictionary_version'
_category dictionary
_type numb
data_enumeration.
_definition
;
Permitted value(s) for the defined item.
;
_name '_enumeration'
_category enumeration
_type char
_list both
_list_mandatory yes
data_enumeration_default.
_definition
;
The default value for the defined item if it is not specified
explicitly. If a data value is not declared the default is
assumed to be the "most-likely" or "natural" value.
;
_name '_enumeration_default'
_category enumeration_default
_type char
data_enumeration_detail.
_definition
;
A description of a permitted value(s) for the defined item, as
identified by _enumeration.
;
_name '_enumeration_detail'
_category enumeration
_type char
_list both
_list_reference '_enumeration'
data_enumeration_range.
_definition
;
The range of values permitted for a defined item. This can
apply to 'numb' or 'char' items which have a preordained
sequence (e.g. numbers or alphabetic characters).
If 'max' is omitted then the item can have any permitted
value greater than or equal to 'min'.
;
_name '_enumeration_range'
_category enumeration_range
_type char
_type_construct (_sequence_minimum):((_sequence_maximum)?)
loop_
_example
-4:10
a:z
B:R
0:
data_example.
_definition
;
An example value of the defined item.
;
_name '_example'
_category example
_type char
_list both
_list_mandatory yes
data_example_detail.
_definition
;
A description of an example value for the defined item.
;
_name '_example_detail'
_category example
_type char
_list both
_list_reference '_example'
data_list.
_definition
;
Signals if the defined item is declared in a looped list.
;
_name '_list'
_category list
_type char
loop_
_enumeration
_enumeration_detail
yes
'can only be declared in a looped list'
no
'cannot be declared in a looped list'
both
'declaration in a looped list optional'
_enumeration_default no
data_list_level.
_definition
;
Specifies the level of the loop structure in which a defined
item, with the attribute _list 'yes' or 'both', must be declared.
;
_name '_list_level'
_category list
_type numb
_enumeration_range 1:
_enumeration_default 1
data_list_link_child.
_definition
;
Identifies data item(s) by name which must have a value which
matches that of the defined item. These items are referred to
as "child" references because they depend on the existence
of the defined item.
;
_name '_list_link_child'
_category list_link_child
_type char
_list both
data_list_link_parent.
_definition
;
Identifies a data item by name which must have a value which
matches that of the defined item, and which must be present in
the same data block as the defined item. This provides for a
reference to the "parent" data item.
;
_name '_list_link_parent'
_category list_link_parent
_type char
_list both
data_list_mandatory.
_definition
;
Signals if the defined item must be present in the loop
structure containing other items of the designated _category.
This property is transferrable to another data item which is
identified by _related_item and has _related_function set as
'alternate'.
;
_name '_list_mandatory'
_category list
_type char
loop_
_enumeration
_enumeration_detail
yes
'required item in this category of looped list'
no
'optional item in this category of looped list'
_enumeration_default no
data_list_reference.
_definition
;
Identifies the data item, or items, which must be present
(collectively) in a looped list with the defined data item
in order that the loop structure is valid. The data item(s)
identified by _list_reference provides a unique access code
to each loop packet. Note that this property may be trans-
ferred to another item with '_related_function alternate'.
;
_name '_list_reference'
_category list_reference
_type char
_list both
data_list_uniqueness.
_definition
;
Identifies data items which, collectively, must have a unique
values for the loop structure of the designated _category items
to be deemed valid. This attribute is specified in the
definition of a data item th _list_mandatory set to 'yes'.
;
_name '_list_uniqueness'
_category list_uniqueness
_type char
_list both
data_name.
_definition
;
The data name(s) of the defined item(s). If data items are
closely related, or represent an irreducible set, their names
may be declared as a looped sequence in the same definition.
;
_name '_name'
_category name
_type char
_list both
loop_
_example
'_atom_site_label'
'_atom_attach_all _atom_attach_ring'
'_index_h _index_k _index_l'
'_matrix_11 _matrix_12 _matrix_21 _matrix_22'
data_on_this_dictionary.
_dictionary_name ddl_core.dic
_dictionary_version 1.4
_dictionary_update 1995-05-16
_dictionary_history
;
1991-03-08 "Implementing SMD in STAR: Dictionary Definition Language"
A F P Cook, ORAC Ltd., 8 March 1991. AFPC
1991-06-25 Adjustments and refinement for CIF applications. SRH
1991-09-02 Further refinements prior to "cifdic.c91". SRH
1993-05-10 Additions arising from discussions with Phil Bourne,
Tony Cook, Brian McMahon. SRH
1993-05-11 Further adjustments and Cyclops tests. SRH
1993-05-14 Proposed additional changes. PEB
1993-05-17 Further adjustments. SRH
1993-06-01 Refinements and additions. SRH
1993-07-19 Some tidying up. SRH
1993-08-10 Final checks before Beijing. SRH
1993-12-12 Following the Cambridge meeting with FHA and AFPC. SRH
1993-12-16 Following discussions with Brian McMahon in Chester. SRH
1993-12-17 Further adjustments. SRH
1994-02-18 Add _include_file provisions. SRH
1994-08-08 Install _type_construct definitions and apply. SRH
1994-08-24 Adjustments following Brian McMahon's comments. SRH
1994-11-16 Changes following Brussels workshop. SRH
1995-05-16 Changes to _units definitions. SRH
;
data_related_function.
_definition
;
Specifies the relationship between the defined item and the
item specified by _related_item. The following classifications
are recognised.
'alternate' signals that the item referred to in _related_item
has attributes that permit it to be used alternately to the
defined item for validation purposes.
'convention' signals that the item referred to in _related_item
is equivalent to the defined item except for a predefined
convention which requires a different _enumeration set.
'conversion' signals that the item referred to in _related_item
is equivalent to the defined item except that different scaling
or conversion factors are applied.
'replace' signals that the item referred to in _related_item
may be used identically to replace the defined item.
;
_name '_related_function'
_category related
_type char
_list yes
_list_reference '_related_item'
loop_
_enumeration
_enumeration_detail
alternate
'used alternatively for validation tests'
convention
'equivalent except for defined convention'
conversion
'equivalent except for conversion factor'
replace
'new definition replaces the current one'
data_related_item.
_definition
;
Identifies data item(s) which have a classified relationship
to the defined data item. The nature of this relationship is
specified by _related_function.
;
_name '_related_item'
_category related
_type char
_list both
_list_mandatory yes
data_type.
_definition
;
The type specification of the defined item.
Type 'numb' identifies items which must have values that are
identifiable numbers. The acceptable syntax for these numbers
is application dependent, but the formats illustrated by the
following identical numbers are considered to be interchangeable.
42 42.000 0.42E2 .42E+2 4.2E1 420000D-4 0.0000042D+07
Type 'char' identifies items which need not be interpretable
numbers. The specification of these items must comply with the
STAR syntax specification of either a 'contiguous single line
string' bounded by blanks or blank-quotes, or a 'text string'
bounded by semi-colons as first character of a line.
Type 'null' identifies items which appear in the dictionary
for data definition and descriptive purposes. These items
serve no function outside of the dictionary files.
;
_name '_type'
_category type
_type char
loop_
_enumeration
_enumeration_detail
numb
'numberically-interpretable string'
char
'character or text string'
null
'for dictionary purposes only'
data_type_conditions.
_definition
;
Codes defining conditions on the _type specification.
'esd' permits a number string to contain an appended standard
deviation number enclosed within parentheses. E.g. 4.37(5)
'seq' permits data to be declared as a sequence of values
separated by a comma <,> or a colon <:>.
* The sequence v1,v2,v3,. signals that v1, v2, v3, etc.
are alternative values.
* The sequence v1:v2 signals that v1 and v2 are the boundary
values of a continuous range of values satisfying the
requirements of _enumeration for the defined item.
Combinations of alternate and range sequences are permitted.
;
_name '_type_conditions'
_category type_conditions
_type char
_list both
loop_
_enumeration
_enumeration_detail
none
'no extra conditions apply to the defined _type'
esd
'numbers *may* have esd'
s
appended
within
()
seq
'data may be declared as a permitted sequence'
data_type_construct.
_definition
;
String of characters specifying the construction of the data
value for the defined data item. The construction is composed
of two entities:
(1) data names
(2) construction characters
The rules of construction conform to the the regular expression
(REGEX) specificatiopns detailed in the IEEE document P1003.2
Draft 11.2 Sept 1991 (ftp file '/doc/POSIX/1003.2/p121-140').
;
_name '_type_construct'
_category type_construct
_type char
_example (_year)-(_month)-(_day)
_example_detail 'a typical construction for _date'
data_units.
_definition
;
A unique code which identifies the units of the defined data
item. A description of the units is provided in _units_detail.
;
_name '_units'
_category units
_type char
loop_
_example
_eexample_detail
K
'degrees Kelvin'
C
'degrees Celcius'
e
'electrons'
V
'volts'
Dal
'Daltons'
mm
'millimetres'
cm
'centimetres'
mm-1
'reciprocal millimetres'
cm-1
'reciprocal centimetres'
eA-3
'electrons per cubic Angstrom'
ep-3
'electrons per cubic picometre'
en-3
'electrons per cubic nanometre'
A
'Angstroms'
pm
'picometres'
nm
'nanometres'
A2
'Angstroms squared'
pm2
'picometres squared'
nm2
'nanometres squared'
A3
'Angstroms cubed'
pm3
'picometres cubed'
nm3
'nanometres cubed'
A-1
'reciprocal angstroms'
pm-1
'reciprocal picometres'
nm-1
'reciprocal nanometres'
kPa
'kilopascals'
GPa
'gigapascals'
sec
'seconds'
min
'minutes'
hr
'hours'
data_units_detail.
_definition
;
A description of the numerical units applicable to the defined
item and identified by the code _units.
;
_name '_units_detail'
_category units
_type char