########################################################################### # # File: mmcif_ddl.dic # Date: Mon Aug 9 02:48:08 EDT 2004 # # Created from files in CVS module dict-mmcif_ddl.dic unless noted: # mmcif_ddl-header.dic # mmcif_ddl-data.dic # mmcif_ddl-def-1.dic # mmcif_ddl-def-2.dic # ########################################################################### ########################################################################### # # File: mmcif_ddl-header.dic # # mmCIF DDL Core Dictionary with NDB extensions # # This DDL dictionary is a mirror of ddl_core.dic-org with all implicit # data items fully expanded and with NDB extensions added. # # Header Section # # ########################################################################### data_mmcif_ddl.dic _datablock.id mmcif_ddl.dic _datablock.description ; This data block holds the core DDL. ; _dictionary.datablock_id mmcif_ddl.dic _dictionary.title mmcif_ddl.dic _dictionary.version 2.1.6 loop_ _dictionary_history.version _dictionary_history.update _dictionary_history.revision 1.1 1994-07-25 ; DDL 1.1 from Syd Hall et. al. ; 1.2.1 1994-09-18 ; Changes:.........etc. etc. John Westbrook ; 1.2.9 1994-10-05 ; Reflect the results of the Treaty of Brussels. JW. ; 2.0.1 1994-10-15 ; Adapted for closer mapping to DDL1.3 and clearer presentation. SRH/NS. ; 2.0.2 1994-10-16 ; Even closer................... SRH/NS. ; 2.0.3 1994-10-17 ; Coming to grips with the links and dependencies..... SRH/NS. ; 2.0.4 1994-10-20 ; Backed in changes from mm-ddl 1.2.12 Many other changes ... (JW) ; 2.0.5 1994-10-20 ; Some small adjustments..........SRH. ; 2.0.6 1994-10-20 ; More small adjustments..........JW. ; 2.0.7 1994-11-03 ; Changes: (JW) + Place all item and item_linked category definitions with the parent item. + Fixed a number of not so trivial typos. + Corrected errors in the data type conversion table. + Corrected key item inconsistencies. + Added the item_aliases category. ; 2.0.8 1994-11-10 ; Miscellaneous corrections: (JW) + defined sub_category_group + corrected typo in category_examples.id definition + added _item_type_conditions.name in item category + added _item_structure.name in item category + corrected typo in item_aliases category definition + corrected typo in sub_category.method_id definition ; 2.0.9 1994-11-14 ; Changes: (JW) + added ITEM_UNITS, ITEM_UNITS_LIST, and UNITS_CONVERSION categories. + added an additional primitive type for character type items for which comparisons must be case insensitive. Since it is customary to permit item names and category identifiers to be specified in mixed case, it is necessary to declare that case should NOT be considered in any comparisons of these items. ; 2.0.10 1994-11-23 ; Changes: (JW) + Several name category changes for the sake of consistency: enumeration -> item_enumeration enumeration_default -> item_enumeration_default enumeration_limit -> item_enumeration_limit units_conversion -> item_units_conversion + Added _item_related.function_code alternate_exclusive to identify mutually exclusive alternative declarations of the same item. + Added structure options for real symmetric matrices. + Changed from zero based indices to one based indices for compatibility with existing matrix component definitions. + Add _item_linked.parent_name to the key of the item_linked category. + Reorder items in the DDL so be alphabetical within category groups. ; 2.0.11 1994-11-28 ; Changes: (JW) + Corrected spelling error for the data type code in the DICTIONARY_HISTORY category. + Add category BLOCK to hold the data block name and data block description. The block identifier was also added to the key of the item category. The block identifier can be implicitly derived from the STAR "data_" delimiter. This identifier is required to form the key for categories which are conceptually related to the data block as a whole. ; 2.0.12 1994-11-30 ; Changes: (JW) + Added a data item _block.scope to indicate the scope of data item names defined within included data blocks. ; 2.0.13 1994-12-12 ; Changes: (JW) + Deleted data item _block.scope. + Changed DICTIONARY category key to _dictionary.block_id to guarantee only one dictionary definition per block. + Deleted data item _item.block_id as this will be replaced by an item address syntax that will include block, save frame, and url. ; 2.0.14 1994-12-15 ; Changes: (JW) + Made some terminology changes suggested by PMDF _item_enumeration.code -> _item_enumeration.value ITEM_ENUMERATION_DEFAULT -> ITEM_DEFAULT ITEM_ENUMERATION_LIMIT -> ITEM_RANGE + Added item _item_type_list.detail + Version 2.0.14 is being frozen and exported. ; 2.0.15 1995-02-13 ; Changes: (JW) + Added '_' prefix to all data item save frame names. References to data item names now always include a leading underscore independent of the usage context. + A few miscellaneous corrections. ; 2.0.16 1995-06-18 ; Changes: (JW) + Revised the block level categories in the following ways: Changed category BLOCK to DATA_BLOCK. Added connection from _data_block.id to _category.implicit_key in order to provide a formal means of merging the contents of categories between data blocks. + Moved ennumerations for _method_list.code and method_list.language to examples. + Removed symmetric matrix options from the ennumerations for _item_structure.organization. + Added _item_related.function codes for 'associated_value', 'associated_esd', 'replaces' and 'replacedby' + Added data items _item_aliases.dictionary and _item_aliases.dictionary_version. + Reorganized method categories such that multiple methods can be applied at each level of data structure. Introduced a consistent set of categories to hold method associations: ITEM_METHODS, CATEGORY_METHODS, SUB_CATEGORY_METHODS, and DATA_BLOCK_METHODS. Removed data items _category.method_id _sub_category.method_id. ; 2.0.17 1995-06-22 ; Changes: (JW) + Quoted data vaules containing the leading string 'data_'. ; 2.1.0 1995-07-20 ; Changes: (JW) Final adjustments before the first release of the mmCIF dictionary: + changed data_block to datablock to avoid any problems with the STAR data_ reserved token. + created new category to hold item subcategory associations and deleted the subcategory attribute from ITEM category. + modified regular expressions to reflect limitations observed on several platforms. + expanded the ennumeration of _item_related.function_code. + removed default value from _item.manadatory_code. + removed type construct for date and changed date data type to yyyy-mm-dd + added less restrictive data type for alias names. ; 2.1.1 1995-09-26 ; Changes: (JW) + Changed regular expressions for type code to permit single quote. + Corrected regular expression syntax for type name and type date. + Corrected lower bound description for item_range.minimum. The incorrect <= condition is changed to <. + _item_mandatory.code has been now a mandatory item. + _item_aliases.dictionary and _item_aliases.dictionary_version are added to the composite key for category ITEM_ALIASES. + _datablock.id data type changes to type code. + Shortened the name _item_aliases.dictionary_version to _item_aliases.version ; 2.1.2 1997-01-24 ; Changes: (JW) + Added associated_error to the enumeration list of _item_related.function_code. ; 2.1.3 2000-10-16 ; Changes: (JW) + Changed data type for regular expression in _item_type_list.construct to type text. ; 2.1.5 2003-06-23 ; Changes: (JW) + NDB extensions adopted into ddl_core + New partitioning scheme implemented ; 2.1.6 2004-04-15 ; Changes: (JW) + Name changed to mmcif_ddl.dic ; ### EOF mmcif_ddl-header.dic #### ########################################################################### # # File: mmcif_ddl-data.dic # # mmCIF DDL Core Dictionary with NDB extensions # # This DDL dictionary is a mirror of ddl_core.dic-org with all implicit # data items fully expanded and with NDB extensions added. # # Data Section # # ########################################################################### # DATA TYPE CONVERSION TABLE # -------------------------- loop_ _item_type_list.code _item_type_list.primitive_code _item_type_list.detail _item_type_list.construct code char 'A single word' '[^\t\n "]*' char char 'A single line of text' '[^\n]*' text char 'Text which may span lines' '.*' int numb 'Unsigned integer data' '[0-9]+' name uchar 'A data item name (restrictive type)' '_[_A-Za-z0-9]+[.][][_A-Za-z0-9\<\>%/-]+' aliasname uchar 'A DDL 1.4 data item name (less restrictive type)' '_[^\t\n "]+' idname uchar 'A data item name component or identifier' '[_A-Za-z0-9]+' any char 'Any data type' '.*' yyyy-mm-dd char 'A date format' '[0-9][0-9][0-9][0-9]-[0-9]?[0-9]-[0-9][0-9]' # loop_ _category_group_list.id _category_group_list.parent_id _category_group_list.description 'ddl_group' . ; Component categories of the macromolecular DDL ; 'datablock_group' 'ddl_group' ; Categories that describe the characteristics of data blocks. ; 'category_group' 'ddl_group' ; Categories that describe the characteristics of categories. ; 'sub_category_group' 'ddl_group' ; Categories that describe the characteristics of subcategories. ; 'item_group' 'ddl_group' ; Categories that describe the characteristics of data items. ; 'dictionary_group' 'ddl_group' ; Categories that describe the dictionary. ; 'compliance_group' 'ddl_group' ; Categories that are retained specifically for compliance with older versions of the DDL. ; ### EOF mmcif_ddl-data.dic ########################################################################### # # File: mmcif_ddl-def-1.dic # # mmCIF DDL Core Dictionary with NDB extensions # # This DDL dictionary is a mirror of ddl_core.dic-org with all implicit # data items fully expanded and with NDB extensions added. # # Definition Section 1. # (Core Definitions) # # ########################################################################### # ---------------------------------------------------------------------------- save_DATABLOCK _category.description ; Attributes defining the characteristics of a data block. ; _category.id datablock _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id datablock _category_key.name '_datablock.id' loop_ _category_group.id _category_group.category_id 'ddl_group' datablock 'datablock_group' datablock save_ save__datablock.id _item_description.name '_datablock.id' _item_description.description ; The identity of the data block. ; _item.name '_datablock.id' _item.category_id datablock _item.mandatory_code implicit _item_type.name '_datablock.id' _item_type.code code loop_ _item_linked.parent_name _item_linked.child_name '_datablock.id' '_datablock_methods.datablock_id' '_datablock.id' '_dictionary.datablock_id' '_datablock.id' '_category.implicit_key' save_ save__datablock.description _item_description.name '_datablock.description' _item_description.description ; Text description of the data block. ; _item.name '_datablock.description' _item.category_id datablock _item.mandatory_code yes _item_type.name '_datablock.description' _item_type.code text save_ # ---------------------------------------------------------------------------- save_DATABLOCK_METHODS _category.description ; Attributes specifying the association between data blocks and methods. ; _category.id datablock_methods _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name datablock_methods '_datablock_methods.method_id' datablock_methods '_datablock_methods.datablock_id' loop_ _category_group.id _category_group.category_id 'ddl_group' datablock_methods 'datablock_group' datablock_methods save_ save__datablock_methods.datablock_id _item_description.name '_datablock_methods.datablock_id' _item_description.description ; Identifier of data block. ; _item.name '_datablock_methods.datablock_id' _item.category_id datablock_methods _item.mandatory_code implicit _item_type.name '_datablock_methods.datablock_id' _item_type.code code save_ save__datablock_methods.method_id _item_description.name '_datablock_methods.method_id' _item_description.description ; Unique method identifier associated with a data block. ; _item.name '_datablock_methods.method_id' _item.category_id datablock_methods _item.mandatory_code yes _item_type.name '_datablock_methods.method_id' _item_type.code idname save_ # ---------------------------------------------------------------------------- save_CATEGORY _category.description ; Attributes defining the functionality for the entire category. ; _category.id category _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id category _category_key.name '_category.id' loop_ _category_group.id _category_group.category_id 'ddl_group' category 'category_group' category save_ save__category.id _item_description.name '_category.id' _item_description.description ; The identity of the data category. Data items may only be looped with items of the same category. ; _item.name '_category.id' _item.category_id category _item.mandatory_code yes _item_type.name '_category.id' _item_type.code idname loop_ _item_linked.child_name _item_linked.parent_name '_category_examples.id' '_category.id' '_category_group.category_id' '_category.id' '_category_key.id' '_category.id' '_category_methods.category_id' '_category.id' '_item.category_id' '_category.id' save_ save__category.description _item_description.name '_category.description' _item_description.description ; Text description of a category. ; _item.name '_category.description' _item.category_id category _item.mandatory_code yes _item_type.name '_category.description' _item_type.code text save_ save__category.implicit_key _item_description.name '_category.implicit_key' _item_description.description ; An identifier that may be used to distinguish the contents of like categories between data blocks. ; _item.name '_category.implicit_key' _item.category_id category _item.mandatory_code implicit _item_type.name '_category.implicit_key' _item_type.code code save_ save__category.mandatory_code _item_description.name '_category.mandatory_code' _item_description.description ; Whether the category must be specified in a dictionary. ; _item.name '_category.mandatory_code' _item.category_id category _item.mandatory_code yes _item_type.name '_category.mandatory_code' _item_type.code code save_ # ---------------------------------------------------------------------------- save_CATEGORY_EXAMPLES _category.description ; Example applications and descriptions of data items in this category. ; _category.id category_examples _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name category_examples '_category_examples.id' category_examples '_category_examples.case' save_ save__category_examples.id _item_description.name '_category_examples.id' _item_description.description ; The name of category. ; _item.name '_category_examples.id' _item.category_id category_examples _item.mandatory_code implicit _item_type.name '_category_examples.id' _item_type.code idname save_ save__category_examples.case _item_description.name '_category_examples.case' _item_description.description ; A case of examples involving items in this category. ; _item.name '_category_examples.case' _item.category_id category_examples _item.mandatory_code yes _item_type.name '_category_examples.case' _item_type.code text save_ save__category_examples.detail _item_description.name '_category_examples.detail' _item_description.description ; A description of an example _category_examples.case ; _item.name '_category_examples.detail' _item.category_id category_examples _item.mandatory_code no _item_type.name '_category_examples.detail' _item_type.code text save_ # ---------------------------------------------------------------------------- save_CATEGORY_KEY _category.description ; This category holds a list of the item names that uniquely identify the elements of the category. ; _category.id category_key _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name category_key '_category_key.name' category_key '_category_key.id' loop_ _category_group.id _category_group.category_id 'ddl_group' category_key 'category_group' category_key save_ save__category_key.name _item_description.name '_category_key.name' _item_description.description ; The name of a data item that serves as a key identifier for the category (eg. a component of the primary key). ; _item.name '_category_key.name' _item.category_id category_key _item.mandatory_code yes _item_type.name '_category_key.name' _item_type.code name save_ save__category_key.id _item_description.name '_category_key.id' _item_description.description ; The identifier of the category (eg. a component of the primary key). ; _item.name '_category_key.id' _item.category_id category_key _item.mandatory_code implicit _item_type.name '_category_key.id' _item_type.code idname save_ # ---------------------------------------------------------------------------- save_CATEGORY_GROUP _category.description ; Provides a list of category groups to which the base category belongs. ; _category.id category_group _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name category_group '_category_group.id' category_group '_category_group.category_id' loop_ _category_group.id _category_group.category_id 'ddl_group' category_group 'category_group' category_group save_ save__category_group.id _item_description.name '_category_group.id' _item_description.description ; The name of a category group ... ; _item.name '_category_group.id' _item.category_id category_group _item.mandatory_code yes _item_type.name '_category_group.id' _item_type.code idname save_ save__category_group.category_id _item_description.name '_category_group.category_id' _item_description.description ; The name of a category ... ; _item.name '_category_group.category_id' _item.category_id category_group _item.mandatory_code implicit _item_type.name '_category_group.category_id' _item_type.code idname save_ # ---------------------------------------------------------------------------- save_CATEGORY_GROUP_LIST _category.description ; This category provides the definition of each category group. A category group is a collection of related categories. ; _category.id category_group_list _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id category_group_list _category_key.name '_category_group_list.id' loop_ _category_group.id _category_group.category_id 'ddl_group' category_group_list 'category_group' category_group_list save_ save__category_group_list.id _item_description.name '_category_group_list.id' _item_description.description ; The name of a category group ... ; _item.name '_category_group_list.id' _item.category_id category_group_list _item.mandatory_code yes _item_type.name '_category_group_list.id' _item_type.code idname loop_ _item_linked.child_name _item_linked.parent_name '_category_group.id' '_category_group_list.id' '_category_group_list.parent_id' '_category_group_list.id' save_ save__category_group_list.description _item_description.name '_category_group_list.description' _item_description.description ; Text description of a category group... ; _item.name '_category_group_list.description' _item.category_id category_group_list _item.mandatory_code yes _item_type.name '_category_group_list.description' _item_type.code text save_ save__category_group_list.parent_id _item_description.name '_category_group_list.parent_id' _item_description.description ; The name of the optional parent category group. ; _item.name '_category_group_list.parent_id' _item.category_id category_group_list _item.mandatory_code no _item_type.name '_category_group_list.parent_id' _item_type.code idname save_ # ---------------------------------------------------------------------------- save_CATEGORY_METHODS _category.description ; Attributes specifying the association between categories and methods. ; _category.id category_methods _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name category_methods '_category_methods.method_id' category_methods '_category_methods.category_id' loop_ _category_group.id _category_group.category_id 'ddl_group' category_methods 'category_group' category_methods save_ save__category_methods.category_id _item_description.name '_category_methods.category_id' _item_description.description ; The name of the category ; _item.name '_category_methods.category_id' _item.category_id category_methods _item.mandatory_code implicit _item_type.name '_category_methods.category_id' _item_type.code idname save_ save__category_methods.method_id _item_description.name '_category_methods.method_id' _item_description.description ; The name of the method ; _item.name '_category_methods.method_id' _item.category_id category_methods _item.mandatory_code yes _item_type.name '_category_methods.method_id' _item_type.code idname save_ # ---------------------------------------------------------------------------- save_SUB_CATEGORY _category.description ; The purpose of a sub-category is to define an association between data items within a category and optionally provide a method to validate the collection of items. The sub-category named 'cartesian' might be applied to the data items for the coordinates x, y, and z. ; _category.id sub_category _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id sub_category _category_key.name '_sub_category.id' loop_ _category_group.id _category_group.category_id 'ddl_group' sub_category 'sub_category_group' sub_category save_ save__sub_category.id _item_description.name '_sub_category.id' _item_description.description ; The identity of the sub-category. ; _item.name '_sub_category.id' _item.category_id sub_category _item.mandatory_code yes _item_type.name '_sub_category.id' _item_type.code idname loop_ _item_linked.child_name _item_linked.parent_name '_sub_category_examples.id' '_sub_category.id' '_sub_category_methods.sub_category_id' '_sub_category.id' '_item_sub_category.id' '_sub_category.id' save_ save__sub_category.description _item_description.name '_sub_category.description' _item_description.description ; Description of the sub-category. ; _item.name '_sub_category.description' _item.category_id sub_category _item.mandatory_code yes _item_type.name '_sub_category.description' _item_type.code text save_ # ---------------------------------------------------------------------------- save_SUB_CATEGORY_EXAMPLES _category.description ; Example applications and descriptions of data items in this subcategory. ; _category.id sub_category_examples _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name sub_category_examples '_sub_category_examples.id' sub_category_examples '_sub_category_examples.case' loop_ _category_group.id _category_group.category_id 'ddl_group' sub_category_examples 'sub_category_group' sub_category_examples save_ save__sub_category_examples.id _item_description.name '_sub_category_examples.id' _item_description.description ; The name for the subcategory. ; _item.name '_sub_category_examples.id' _item.category_id sub_category_examples _item.mandatory_code yes _item_type.name '_sub_category_examples.id' _item_type.code idname save_ save__sub_category_examples.case _item_description.name '_sub_category_examples.case' _item_description.description ; An example involving items in this subcategory. ; _item.name '_sub_category_examples.case' _item.category_id sub_category_examples _item.mandatory_code yes _item_type.name '_sub_category_examples.case' _item_type.code text save_ save__sub_category_examples.detail _item_description.name '_sub_category_examples.detail' _item_description.description ; A description of an example _sub_category_examples.case ; _item.name '_sub_category_examples.detail' _item.category_id sub_category_examples _item.mandatory_code no _item_type.name '_sub_category_examples.detail' _item_type.code text save_ # ---------------------------------------------------------------------------- save_SUB_CATEGORY_METHODS _category.description ; Attributes specifying the association between subcategories and methods. ; _category.id sub_category_methods _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name sub_category_methods '_sub_category_methods.method_id' sub_category_methods '_sub_category_methods.sub_category_id' loop_ _category_group.id _category_group.category_id 'ddl_group' sub_category_methods 'sub_category_group' sub_category_methods save_ save__sub_category_methods.sub_category_id _item_description.name '_sub_category_methods.sub_category_id' _item_description.description ; The name of the subcategory ; _item.name '_sub_category_methods.sub_category_id' _item.category_id sub_category_methods _item.mandatory_code yes _item_type.name '_sub_category_methods.sub_category_id' _item_type.code idname save_ save__sub_category_methods.method_id _item_description.name '_sub_category_methods.method_id' _item_description.description ; The name of the method ; _item.name '_sub_category_methods.method_id' _item.category_id sub_category_methods _item.mandatory_code yes _item_type.name '_sub_category_methods.method_id' _item_type.code idname save_ # ---------------------------------------------------------------------------- save_ITEM _category.description ; Attributes which describe the characteristics of a data item. ; _category.id item _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id item _category_key.name '_item.name' loop_ _category_group.id _category_group.category_id 'ddl_group' item 'item_group' item save_ save__item.name _item_description.name '_item.name' _item_description.description ; Data name of the defined item. ; _item_type.name '_item.name' _item_type.code name _item.name '_item.name' _item.category_id item _item.mandatory_code implicit loop_ _item_linked.child_name _item_linked.parent_name '_category_key.name' '_item.name' '_item_aliases.name' '_item.name' '_item_default.name' '_item.name' '_item_dependent.name' '_item.name' '_item_dependent.dependent_name' '_item.name' '_item_description.name' '_item.name' '_item_enumeration.name' '_item.name' '_item_examples.name' '_item.name' '_item_linked.child_name' '_item.name' '_item_linked.parent_name' '_item.name' '_item_methods.name' '_item.name' '_item_range.name' '_item.name' '_item_related.name' '_item.name' '_item_related.related_name' '_item.name' '_item_type.name' '_item.name' '_item_type_conditions.name' '_item.name' '_item_structure.name' '_item.name' '_item_sub_category.name' '_item.name' '_item_units.name' '_item.name' save_ save__item.mandatory_code _item_description.name '_item.mandatory_code' _item_description.description ; Signals if the defined item is mandatory for the proper description of its category. ; _item.name '_item.mandatory_code' _item.category_id item _item.mandatory_code yes _item_type.name '_item.mandatory_code' _item_type.code code loop_ _item_enumeration.name _item_enumeration.value _item_enumeration.detail '_item.mandatory_code' yes 'required item in this category' '_item.mandatory_code' no 'optional item in this category' '_item.mandatory_code' implicit 'required item but may be determined from context' save_ save__item.category_id _item_description.name '_item.category_id' _item_description.description ; This is category id of the item. ; _item.name '_item.category_id' _item.category_id item _item.mandatory_code implicit _item_type.name '_item.category_id' _item_type.code idname save_ # ---------------------------------------------------------------------------- save_ITEM_ALIASES _category.description ; This category holds a list of possible alias names or synonyms for each data item. Each alias name is identified by the name and version of the dictionary to which it belongs. ; _category.id item_aliases _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name item_aliases '_item_aliases.alias_name' item_aliases '_item_aliases.dictionary' item_aliases '_item_aliases.version' save_ save__item_aliases.name _item_description.name '_item_aliases.name' _item_description.description ; Name for the data item. ; _item.name '_item_aliases.name' _item.category_id item_aliases _item.mandatory_code implicit _item_type.name '_item_aliases.name' _item_type.code name save_ save__item_aliases.alias_name _item_description.name '_item_aliases.alias_name' _item_description.description ; Alias name for the data item. ; _item.name '_item_aliases.alias_name' _item.category_id item_aliases _item.mandatory_code yes _item_type.name '_item_aliases.alias_name' _item_type.code aliasname save_ save__item_aliases.dictionary _item_description.name '_item_aliases.dictionary' _item_description.description ; The dictionary in which the alias name is defined. ; _item.name '_item_aliases.dictionary' _item.category_id item_aliases _item.mandatory_code yes _item_type.name '_item_aliases.dictionary' _item_type.code char save_ save__item_aliases.version _item_description.name '_item_aliases.version' _item_description.description ; The version of the dictionary in which the alias name is defined. ; _item.name '_item_aliases.version' _item.category_id item_aliases _item.mandatory_code yes _item_type.name '_item_aliases.version' _item_type.code char save_ # ---------------------------------------------------------------------------- save_ITEM_DEFAULT _category.description ; Attributes specifying the default value for a data item. ; _category.id item_default _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id item_default _category_key.name '_item_default.name' loop_ _category_group.id _category_group.category_id 'ddl_group' item_default 'item_group' item_default save_ save__item_default.name _item_description.name '_item_default.name' _item_description.description ; The name of item for which the default value is defined ; _item.name '_item_default.name' _item.category_id item_default _item.mandatory_code implicit _item_type.name '_item_default.name' _item_type.code name save_ save__item_default.value _item_description.name '_item_default.value' _item_description.description ; 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. ; _item.name '_item_default.value' _item.category_id item_default _item.mandatory_code no _item_type.name '_item_default.value' _item_type.code any save_ # ---------------------------------------------------------------------------- save_ITEM_DEPENDENT _category.description ; Attributes which identify other data items that must be specified for the defined data item to be valid. ; _category.id item_dependent _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name item_dependent '_item_dependent.name' item_dependent '_item_dependent.dependent_name' save_ save__item_dependent.name _item_description.name '_item_dependent.name' _item_description.description ; Item name of a dependent item. ; _item.name '_item_dependent.name' _item.category_id item_dependent _item.mandatory_code implicit _item_type.name '_item_dependent.name' _item_type.code name save_ save__item_dependent.dependent_name _item_description.name '_item_dependent.dependent_name' _item_description.description ; Data name of a dependent item. ; _item.name '_item_dependent.dependent_name' _item.category_id item_dependent _item.mandatory_code yes _item_type.name '_item_dependent.dependent_name' _item_type.code name save_ # ---------------------------------------------------------------------------- save_ITEM_DESCRIPTION _category.description ; This category holds the descriptions of each data item. ; _category.id item_description _category.mandatory_code yes _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name item_description '_item_description.name' item_description '_item_description.description' loop_ _category_group.id _category_group.category_id 'ddl_group' item_description 'item_group' item_description save_ save__item_description.name _item_description.name '_item_description.name' _item_description.description ; Tne name of data item. ; _item.name '_item_description.name' _item.category_id item_description _item.mandatory_code implicit _item_type.name '_item_description.name' _item_type.code name save_ save__item_description.description _item_description.name '_item_description.description' _item_description.description ; Text decription of the defined data item. ; _item.name '_item_description.description' _item.category_id item_description _item.mandatory_code yes _item_type.name '_item_description.description' _item_type.code text save_ # ---------------------------------------------------------------------------- save_ITEM_ENUMERATION _category.description ; Attributes which specify the permitted enumeration of the items. ; _category.id item_enumeration _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name item_enumeration '_item_enumeration.name' item_enumeration '_item_enumeration.value' loop_ _category_group.id _category_group.category_id 'ddl_group' item_enumeration 'item_group' item_enumeration save_ save__item_enumeration.name _item_description.name '_item_enumeration.name' _item_description.description ; Name of data item. ; _item.name '_item_enumeration.name' _item.category_id item_enumeration _item.mandatory_code implicit _item_type.name '_item_enumeration.name' _item_type.code name save_ save__item_enumeration.value _item_description.name '_item_enumeration.value' _item_description.description ; A permissible value, character or number, for the defined item. ; _item.name '_item_enumeration.value' _item.category_id item_enumeration _item.mandatory_code yes _item_type.name '_item_enumeration.value' _item_type.code any save_ save__item_enumeration.detail _item_description.name '_item_enumeration.detail' _item_description.description ; A description of a permissible value for the defined item. ; _item.name '_item_enumeration.detail' _item.category_id item_enumeration _item.mandatory_code no _item_type.name '_item_enumeration.detail' _item_type.code text save_ # ---------------------------------------------------------------------------- save_ITEM_EXAMPLES _category.description ; Attributes for describing application examples of the data item. ; _category.id item_examples _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name item_examples '_item_examples.name' item_examples '_item_examples.case' loop_ _category_group.id _category_group.category_id 'ddl_group' item_examples 'item_group' item_examples save_ save__item_examples.name _item_description.name '_item_examples.name' _item_description.description ; The name of data item for the example. ; _item.name '_item_examples.name' _item.category_id item_examples _item.mandatory_code implicit _item_type.name '_item_examples.name' _item_type.code name save_ save__item_examples.case _item_description.name '_item_examples.case' _item_description.description ; An example application of the defined data item. ; _item.name '_item_examples.case' _item.category_id item_examples _item.mandatory_code no _item_type.name '_item_examples.case' _item_type.code text save_ save__item_examples.detail _item_description.name '_item_examples.detail' _item_description.description ; A description of an example specified in _item_example.case ; _item.name '_item_examples.detail' _item.category_id item_examples _item.mandatory_code no _item_type.name '_item_examples.detail' _item_type.code text save_ # ---------------------------------------------------------------------------- save_ITEM_LINKED _category.description ; Attributes which describe how equivalent data items are linked within categories and across different categories. ; _category.id item_linked _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name item_linked '_item_linked.child_name' item_linked '_item_linked.parent_name' loop_ _category_group.id _category_group.category_id 'ddl_group' item_linked 'item_group' item_linked save_ save__item_linked.child_name _item_description.name '_item_linked.child_name' _item_description.description ; Name of the child data item. ; _item.name '_item_linked.child_name' _item.category_id item_linked _item.mandatory_code yes _item_type.name '_item_linked.child_name' _item_type.code name save_ save__item_linked.parent_name _item_description.name '_item_linked.parent_name' _item_description.description ; Name of the parent data item. ; _item.name '_item_linked.parent_name' _item.category_id item_linked _item.mandatory_code implicit _item_type.name '_item_linked.parent_name' _item_type.code name save_ # ---------------------------------------------------------------------------- save_ITEM_METHODS _category.description ; Attributes specifying the association between data items and methods. ; _category.id item_methods _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name item_methods '_item_methods.method_id' item_methods '_item_methods.name' loop_ _category_group.id _category_group.category_id 'ddl_group' item_methods 'item_group' item_methods save_ save__item_methods.name _item_description.name '_item_methods.name' _item_description.description ; The name of the item ; _item.name '_item_methods.name' _item.category_id item_methods _item.mandatory_code implicit _item_type.name '_item_methods.name' _item_type.code name save_ save__item_methods.method_id _item_description.name '_item_methods.method_id' _item_description.description ; The name of itemthe method ; _item.name '_item_methods.method_id' _item.category_id item_methods _item.mandatory_code yes _item_type.name '_item_methods.method_id' _item_type.code idname save_ # ---------------------------------------------------------------------------- save_ITEM_RANGE _category.description ; The range of permissible values of a data item. When multiple ranges are specified they are interpreted sequentially using a logical OR. To specify that an item value may be equal to a boundary value, specify an item range where the maximum and mimimum values equal the boundary value. ; _category.id item_range _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name item_range '_item_range.name' item_range '_item_range.minimum' item_range '_item_range.maximum' loop_ _category_group.id _category_group.category_id 'ddl_group' item_range 'item_group' item_range save_ save__item_range.name _item_description.name '_item_range.name' _item_description.description ; Name of data item ... ; _item.name '_item_range.name' _item.category_id item_range _item.mandatory_code implicit _item_type.name '_item_range.name' _item_type.code name save_ save__item_range.minimum _item_description.name '_item_range.minimum' _item_description.description ; Minimum permissible value of a data item or the lower bound of a permissible range. ( minimum value < data value) ; _item.name '_item_range.minimum' _item.category_id item_range _item.mandatory_code no _item_type.name '_item_range.minimum' _item_type.code any save_ save__item_range.maximum _item_description.name '_item_range.maximum' _item_description.description ; Maximum permissible value of a data item or the upper bound of a permissible range. ( maximum value > data value) ; _item.name '_item_range.maximum' _item.category_id item_range _item.mandatory_code no _item_type.name '_item_range.maximum' _item_type.code any save_ # ---------------------------------------------------------------------------- save_ITEM_RELATED _category.description ; Attributes which specify recognized relationships between data items. ; _category.id item_related _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name item_related '_item_related.name' item_related '_item_related.related_name' item_related '_item_related.function_code' loop_ _category_group.id _category_group.category_id 'ddl_group' item_related 'item_group' item_related save_ save__item_related.name _item_description.name '_item_related.name' _item_description.description ; Identifies a defined data item ... ; _item.name '_item_related.name' _item.category_id item_related _item.mandatory_code implicit _item_type.name '_item_related.name' _item_type.code name save_ save__item_related.related_name _item_description.name '_item_related.related_name' _item_description.description ; Identifies a data item by name which is closely related to the defined data item by the manner described by _item_related.function_code ; _item.name '_item_related.related_name' _item.category_id item_related _item.mandatory_code yes _item_type.name '_item_related.related_name' _item_type.code name save_ save__item_related.function_code _item_description.name '_item_related.function_code' _item_description.description ; The code for the type of relationship of the item identified by _item_related.name and the defined item. ALTERNATE indicates that the item identified in _item_related.related_name is an alternative expression in terms of its application and attributes to the item in this definition. ALTERNATE_EXCLUSIVE indicates that the item identified in _item_related.related_name is an alternative expression in terms of its application and attributes to the item in this definition. Only one of the alternative forms may be specified. CONVENTION indicates that the item identified in _item_related.related_name differs from the defined item only in terms of a convention in its expression. CONVERSION_CONSTANT indicates that the item identified in _item_related.related_name differs from the defined item only by a known constant. CONVERSION_ARBITRARY indicates that the item identified in _item_related.related_name differs from the defined item only by a arbitrary constant. REPLACES indicates that the defined item replaces the item identified in _item_related.related_name. REPLACEDBY indicates that the defined item is replaced by the item identified in _item_related.related_name. ASSOCIATED_VALUE indicates that the item identified in _item_related.related_name is meaningful when associated with the defined item. ASSOCIATED_ESD indicates that the item identified in _item_related.related_name is the estimated standard deviation of of the defined item. ; _item.name '_item_related.function_code' _item.category_id item_related _item.mandatory_code yes _item_type.name '_item_related.function_code' _item_type.code code loop_ _item_enumeration.name _item_enumeration.value _item_enumeration.detail '_item_related.function_code' alternate 'alternate form of the item' '_item_related.function_code' alternate_exclusive 'mutually exclusive alternate form of the item' '_item_related.function_code' convention 'depends on defined convention' '_item_related.function_code' conversion_constant 'related by a known conversion factor' '_item_related.function_code' conversion_arbitrary 'related by a arbitrary conversion factor' '_item_related.function_code' replaces 'a replacement definition' '_item_related.function_code' replacedby 'an obsolete definition' '_item_related.function_code' associated_value 'a meaningful value when related to the item' '_item_related.function_code' associated_esd 'an estimated standard deviation of the item' '_item_related.function_code' associated_error 'an estimated error of the item' save_ # ---------------------------------------------------------------------------- save_ITEM_STRUCTURE _category.description ; This category holds the association between data items and named vector/matrix declarations. ; _category.id item_structure _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id item_structure _category_key.name '_item_structure.name' loop_ _category_group.id _category_group.category_id 'ddl_group' item_structure 'item_group' item_structure save_ save__item_structure.name _item_description.name '_item_structure.name' _item_description.description ; The name of data item ; _item.name '_item_structure.name' _item.category_id item_structure _item.mandatory_code implicit _item_type.name '_item_structure.name' _item_type.code name save_ save__item_structure.code _item_description.name '_item_structure.code' _item_description.description ; Provides an indirect reference into the list of structure type definition in category item_structure_list. ; _item.name '_item_structure.code' _item.category_id item_structure _item.mandatory_code yes _item_type.name '_item_structure.code' _item_type.code code save_ save__item_structure.organization _item_description.name '_item_structure.organization' _item_description.description ; Identifies if the struct is defined in column or row major order. Only the unique elements of symmetric matrices are specified. ; _item.name '_item_structure.organization' _item.category_id item_structure _item.mandatory_code yes _item_type.name '_item_structure.organization' _item_type.code code loop_ _item_enumeration.name _item_enumeration.value _item_enumeration.detail '_item_structure.organization' 'columnwise' 'column major order' '_item_structure.organization' 'rowwise' 'row major order' save_ # ---------------------------------------------------------------------------- save_ITEM_STRUCTURE_LIST _category.description ; This category holds a description for each structure type. ; _category.id item_structure_list _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name item_structure_list '_item_structure_list.code' item_structure_list '_item_structure_list.index' loop_ _category_group.id _category_group.category_id 'ddl_group' item_structure_list 'item_group' item_structure_list save_ save__item_structure_list.code _item_description.name '_item_structure_list.code' _item_description.description ; The name of the matrix/vector structure declaration. ; _item.name '_item_structure_list.code' _item.category_id item_structure_list _item.mandatory_code yes _item_linked.parent_name '_item_structure_list.code' _item_linked.child_name '_item_structure.code' _item_type.name '_item_structure_list.code' _item_type.code code save_ save__item_structure_list.index _item_description.name '_item_structure_list.index' _item_description.description ; Identifies the one based index of a row/column of the structure. ; _item.name '_item_structure_list.index' _item.category_id item_structure_list _item.mandatory_code yes loop_ _item_range.name _item_range.minimum _item_range.maximum '_item_structure_list.index' 1 1 '_item_structure_list.index' 1 . _item_type.name '_item_structure_list.index' _item_type.code int save_ save__item_structure_list.dimension _item_description.name '_item_structure_list.dimension' _item_description.description ; Identifies the length of this row/column of the structure. ; _item.name '_item_structure_list.dimension' _item.category_id item_structure_list _item.mandatory_code yes loop_ _item_range.name _item_range.minimum _item_range.maximum '_item_structure_list.dimension' 1 1 '_item_structure_list.dimension' 1 . _item_type.name '_item_structure_list.dimension' _item_type.code int save_ # ---------------------------------------------------------------------------- save_ITEM_SUB_CATEGORY _category.description ; This category assigns data items to subcategories. ; _category.id item_sub_category _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name item_sub_category '_item_sub_category.id' item_sub_category '_item_sub_category.name' loop_ _category_group.id _category_group.category_id 'sub_category_group' item_sub_category 'item_group' item_sub_category save_ save__item_sub_category.name _item_description.name '_item_sub_category.name' _item_description.description ; The name of data item ; _item.name '_item_sub_category.name' _item.category_id item_sub_category _item.mandatory_code implicit _item_type.name '_item_sub_category.name' _item_type.code name save_ save__item_sub_category.id _item_description.name '_item_sub_category.id' _item_description.description ; The identifier of subcategory ; _item.name '_item_sub_category.id' _item.category_id item_sub_category _item.mandatory_code yes _item_type.name '_item_sub_category.id' _item_type.code idname save_ # ---------------------------------------------------------------------------- save_ITEM_TYPE _category.description ; Attributes for specifying the data type code for each data item. ; _category.id item_type _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id item_type _category_key.name '_item_type.name' loop_ _category_group.id _category_group.category_id 'ddl_group' item_type 'item_group' item_type save_ save__item_type.name _item_description.name '_item_type.name' _item_description.description ; The name of data item ; _item.name '_item_type.name' _item.category_id item_type _item.mandatory_code implicit _item_type.name '_item_type.name' _item_type.code name save_ save__item_type.code _item_description.name '_item_type.code' _item_description.description ; Data type of defined data item ; _item.name '_item_type.code' _item.category_id item_type _item.mandatory_code yes _item_type.name '_item_type.code' _item_type.code code save_ # ---------------------------------------------------------------------------- save_ITEM_TYPE_CONDITIONS _category.description ; Attributes for specifying additional conditions associated with the data type of the item. ; _category.id item_type_conditions _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id item_type_conditions _category_key.name '_item_type_conditions.name' loop_ _category_group.id _category_group.category_id 'ddl_group' item_type_conditions 'item_group' item_type_conditions 'compliance_group' item_type_conditions save_ save__item_type_conditions.name _item_description.name '_item_type_conditions.name' _item_description.description ; The name of data item ; _item.name '_item_type_conditions.name' _item.category_id item_type_conditions _item.mandatory_code implicit _item_type.name '_item_type_conditions.name' _item_type.code name save_ save__item_type_conditions.code _item_description.name '_item_type_conditions.code' _item_description.description ; Codes defining conditions on the _item_type.code 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 or the data item. * The sequence v1:v2 signals that v1 and v2 are the boundary values of a continuous range of values. This mechanism was used to specify permitted ranges of an item in previous DDL versions. Combinations of alternate and range sequences are permitted. ; _item.name '_item_type_conditions.code' _item.category_id item_type_conditions _item.mandatory_code yes _item_type.name '_item_type_conditions.code' _item_type.code code loop_ _item_enumeration.name _item_enumeration.value _item_enumeration.detail '_item_type_conditions.code' none 'no extra conditions apply to this data item' '_item_type_conditions.code' esd 'numbers may have esd values appended within ()' '_item_type_conditions.code' seq 'data may be declared as a comma or colon separated sequence' save_ # ---------------------------------------------------------------------------- save_ITEM_TYPE_LIST _category.description ; Attributes which define each type code. ; _category.id item_type_list _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id item_type_list _category_key.name '_item_type_list.code' loop_ _category_group.id _category_group.category_id 'ddl_group' item_type_list 'item_group' item_type_list save_ save__item_type_list.code _item_description.name '_item_type_list.code' _item_description.description ; The codes specifying the nature of the data value. ; _item.name '_item_type_list.code' _item.category_id item_type_list _item.mandatory_code yes _item_type.name '_item_type_list.code' _item_type.code code _item_linked.child_name '_item_type.code' _item_linked.parent_name '_item_type_list.code' save_ save__item_type_list.primitive_code _item_description.name '_item_type_list.primitive_code' _item_description.description ; The codes specifying the primitive type of the data value. ; _item.name '_item_type_list.primitive_code' _item.category_id item_type_list _item.mandatory_code yes _item_type.name '_item_type_list.primitive_code' _item_type.code code loop_ _item_enumeration.name _item_enumeration.value _item_enumeration.detail '_item_type_list.primitive_code' numb 'numerically-interpretable string' '_item_type_list.primitive_code' char 'character or text string (case-sensitive)' '_item_type_list.primitive_code' uchar 'character or text string (case-insensitive)' '_item_type_list.primitive_code' null 'for dictionary purposes only' save_ save__item_type_list.construct _item_description.name '_item_type_list.construct' _item_description.description ; When a data value can be defined as a pre-determined sequence of characters, or optional characters, or data names (for which the definition is also available), it is specified as a construction. 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'). Resolved data names for which _item_type_list.construct specifications exist are replaced by these constructions, otherwise the data name string is not replaced. ; _item.name '_item_type_list.construct' _item.category_id item_type_list _item.mandatory_code no _item_type.name '_item_type_list.construct' _item_type.code text _item_examples.name '_item_type_list.construct' _item_examples.case '{_year}-{_month}-{_day}' _item_examples.detail 'typical construction for _date' save_ save__item_type_list.detail _item_description.name '_item_type_list.detail' _item_description.description ; An optional description of the data type ; _item.name '_item_type_list.detail' _item.category_id item_type_list _item.mandatory_code no _item_type.name '_item_type_list.detail' _item_type.code text save_ # ---------------------------------------------------------------------------- save_ITEM_UNITS _category.description ; Specifies the physical units in which data items are expressed. ; _category.id item_units _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id item_units _category_key.name '_item_units.name' loop_ _category_group.id _category_group.category_id 'ddl_group' item_units 'item_group' item_units save_ save__item_units.name _item_description.name '_item_units.name' _item_description.description ; The name of data item ; _item.name '_item_units.name' _item.category_id item_units _item.mandatory_code implicit _item_type.name '_item_units.name' _item_type.code name save_ save__item_units.code _item_description.name '_item_units.code' _item_description.description ; The identifier of unit in which the data item is expressed. ; _item.name '_item_units.code' _item.category_id item_units _item.mandatory_code yes _item_type.name '_item_units.code' _item_type.code code save_ # ---------------------------------------------------------------------------- save_ITEM_UNITS_CONVERSION _category.description ; Conversion factors between the various units of measure defined in the ITEM_UNITS_LIST category. ; _category.id item_units_conversion _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name item_units_conversion '_item_units_conversion.from_code' item_units_conversion '_item_units_conversion.to_code' loop_ _category_group.id _category_group.category_id 'ddl_group' item_units_conversion 'item_group' item_units_conversion save_ save__item_units_conversion.from_code _item_description.name '_item_units_conversion.from_code' _item_description.description ; The unit system on which the conversion operation is applied to produce the unit system specified in _item_units_conversion.to_code. <to_code> = <from_code> <operator> <factor> ; _item.name '_item_units_conversion.from_code' _item.category_id item_units_conversion _item.mandatory_code yes _item_type.name '_item_units_conversion.from_code' _item_type.code code save_ save__item_units_conversion.to_code _item_description.name '_item_units_conversion.to_code' _item_description.description ; The unit system produced after an operation is applied to the unit system specified by _item_units_conversion.from_code. <to_code> = <from_code> <operator> <factor> ; _item.name '_item_units_conversion.to_code' _item.category_id item_units_conversion _item.mandatory_code yes _item_type.name '_item_units_conversion.to_code' _item_type.code code save_ save__item_units_conversion.operator _item_description.name '_item_units_conversion.operator' _item_description.description ; The arithmetic operator required to convert between the unit systems: <to_code> = <from_code> <operator> <factor> ; _item.name '_item_units_conversion.operator' _item.category_id item_units_conversion _item.mandatory_code yes _item_type.name '_item_units_conversion.operator' _item_type.code code loop_ _item_enumeration.name _item_enumeration.value _item_enumeration.detail '_item_units_conversion.operator' '+' 'addition' '_item_units_conversion.operator' '-' 'subtraction' '_item_units_conversion.operator' '*' 'multiplication' '_item_units_conversion.operator' '/' 'division' save_ save__item_units_conversion.factor _item_description.name '_item_units_conversion.factor' _item_description.description ; The arithmetic operation required to convert between the unit systems: <to_code> = <from_code> <operator> <factor> ; _item.name '_item_units_conversion.factor' _item.category_id item_units_conversion _item.mandatory_code yes _item_type.name '_item_units_conversion.factor' _item_type.code any save_ # ---------------------------------------------------------------------------- save_ITEM_UNITS_LIST _category.description ; Attributes which describe the physical units of measure in which data items may be expressed. ; _category.id item_units_list _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id item_units_list _category_key.name '_item_units_list.code' loop_ _category_group.id _category_group.category_id 'ddl_group' item_units_list 'item_group' item_units_list save_ save__item_units_list.code _item_description.name '_item_units_list.code' _item_description.description ; The code specifying the name of the unit of measure. ; _item.name '_item_units_list.code' _item.category_id item_units_list _item.mandatory_code yes _item_type.name '_item_units_list.code' _item_type.code code loop_ _item_linked.child_name _item_linked.parent_name '_item_units.code' '_item_units_list.code' '_item_units_conversion.from_code' '_item_units_list.code' '_item_units_conversion.to_code' '_item_units_list.code' save_ save__item_units_list.detail _item_description.name '_item_units_list.detail' _item_description.description ; A description of the unit of measure. ; _item.name '_item_units_list.detail' _item.category_id item_units_list _item.mandatory_code no _item_type.name '_item_units_list.detail' _item_type.code text save_ # ---------------------------------------------------------------------------- save_METHOD_LIST _category.description ; Attributes specifying the list of methods applicable to data items, sub-categories, and categories. ; _category.id method_list _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id method_list _category_key.name '_method_list.id' loop_ _category_group.id _category_group.category_id 'ddl_group' method_list 'item_group' method_list 'category_group' method_list save_ save__method_list.id _item_description.name '_method_list.id' _item_description.description ; Identity of method in the list referenced by _method.id ; _item.name '_method_list.id' _item.category_id method_list _item.mandatory_code yes _item_type.name '_method_list.id' _item_type.code idname loop_ _item_linked.child_name _item_linked.parent_name '_item_methods.method_id' '_method_list.id' '_category_methods.method_id' '_method_list.id' '_sub_category_methods.method_id' '_method_list.id' '_datablock_methods.method_id' '_method_list.id' save_ save__method_list.detail _item_description.name '_method_list.detail' _item_description.description ; Description of application method in _method_list.id ; _item.name '_method_list.detail' _item.category_id method_list _item.mandatory_code no _item_type.name '_method_list.detail' _item_type.code text save_ save__method_list.inline _item_description.name '_method_list.inline' _item_description.description ; Inline text of a method associated with the data item. ; _item.name '_method_list.inline' _item.category_id method_list _item.mandatory_code yes _item_type.name '_method_list.inline' _item_type.code text save_ save__method_list.code _item_description.name '_method_list.code' _item_description.description ; A code that describes the function of the method. ; _item.name '_method_list.code' _item.category_id method_list _item.mandatory_code yes _item_type.name '_method_list.code' _item_type.code code loop_ _item_examples.name _item_examples.case _item_examples.detail '_method_list.code' calculation 'method to calculate the item ' '_method_list.code' verification 'method to verify the data item ' '_method_list.code' cast 'method to provide cast conversion ' '_method_list.code' addition 'method to define item + item ' '_method_list.code' division 'method to define item / item ' '_method_list.code' multiplication 'method to define item * item ' '_method_list.code' equivalence 'method to define item = item ' '_method_list.code' other 'miscellaneous method ' save_ save__method_list.language _item_description.name '_method_list.language' _item_description.description ; Language in which the method is expressed. ; _item.name '_method_list.language' _item.category_id method_list _item.mandatory_code yes _item_type.name '_method_list.language' _item_type.code code loop_ _item_examples.name _item_examples.case _item_examples.detail '_method_list.language' BNF ? '_method_list.language' C ? '_method_list.language' C++ ? '_method_list.language' FORTRAN ? '_method_list.language' LISP ? '_method_list.language' PASCAL ? '_method_list.language' PEARL ? '_method_list.language' TCL ? '_method_list.language' OTHER ? save_ # ---------------------------------------------------------------------------- save_DICTIONARY _category.description ; Attributes for specifying the dictionary title, version and data block identifier. ; _category.id dictionary _category.mandatory_code yes _category.implicit_key mmcif_ddl.dic _category_key.id dictionary _category_key.name '_dictionary.datablock_id' loop_ _category_group.id _category_group.category_id 'ddl_group' dictionary 'datablock_group' dictionary 'dictionary_group' dictionary save_ save__dictionary.datablock_id _item_description.name '_dictionary.datablock_id' _item_description.description ; The identifier for the data block containing the dictionary. ; _item.name '_dictionary.datablock_id' _item.category_id dictionary _item.mandatory_code implicit _item_type.name '_dictionary.datablock_id' _item_type.code code save_ save__dictionary.title _item_description.name '_dictionary.title' _item_description.description ; Title identification of the dictionary. ; _item.name '_dictionary.title' _item.category_id dictionary _item.mandatory_code yes _item_type.name '_dictionary.title' _item_type.code char save_ save__dictionary.version _item_description.name '_dictionary.version' _item_description.description ; A unique version identifier for the dictionary. ; _item.name '_dictionary.version' _item.category_id dictionary _item.mandatory_code yes _item_type.name '_dictionary.version' _item_type.code char save_ # ---------------------------------------------------------------------------- save_DICTIONARY_HISTORY _category.description ; Attributes for specifying the revision history of the dictionary. ; _category.id dictionary_history _category.mandatory_code no _category.implicit_key mmcif_ddl.dic _category_key.id dictionary_history _category_key.name '_dictionary_history.version' loop_ _category_group.id _category_group.category_id 'ddl_group' dictionary_history 'dictionary_group' dictionary_history save_ save__dictionary_history.version _item_description.name '_dictionary_history.version' _item_description.description ; A unique version identifier for the dictionary revision. ; _item.name '_dictionary_history.version' _item.category_id dictionary_history _item.mandatory_code yes _item_type.name '_dictionary_history.version' _item_type.code char _item_linked.child_name '_dictionary.version' _item_linked.parent_name '_dictionary_history.version' save_ save__dictionary_history.update _item_description.name '_dictionary_history.update' _item_description.description ; The date that the last dictionary revision took place. ; _item.name '_dictionary_history.update' _item.category_id dictionary_history _item.mandatory_code yes _item_type.name '_dictionary_history.update' _item_type.code yyyy-mm-dd save_ save__dictionary_history.revision _item_description.name '_dictionary_history.revision' _item_description.description ; Text description of the dictionary revision. ; _item.name '_dictionary_history.revision' _item.category_id dictionary_history _item.mandatory_code yes _item_type.name '_dictionary_history.revision' _item_type.code text save_ ### EOF mmcif_ddl-def-1.dic ########################################################################### # # File: mmcif_ddl-def-1.dic # # mmCIF DDL Core Dictionary with NDB extensions # # This DDL dictionary is a mirror of ddl_core.dic-org with all implicit # data items fully expanded and with NDB extensions added. # # Definition Section 2. # (NDB Extension Definitions) # # ########################################################################### save_NDB_CATEGORY_DESCRIPTION _category.description ; NDB description of data items in this category. ; _category.id ndb_category_description _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name ndb_category_description '_ndb_category_description.id' ndb_category_description '_ndb_category_description.description' save_ save__ndb_category_description.id _item.name '_ndb_category_description.id' _item.category_id ndb_category_description _item.mandatory_code implicit _item_type.name '_ndb_category_description.id' _item_type.code idname _item_linked.child_name '_ndb_category_description.id' _item_linked.parent_name '_category.id' save_ save__ndb_category_description.description _item_description.name '_ndb_category_description.description' _item_description.description ; NDB text description of a category. ; _item.name '_ndb_category_description.description' _item.category_id ndb_category_description _item.mandatory_code yes _item_type.name '_ndb_category_description.description' _item_type.code text save_ # -------------------------------------------------------------------------- save_NDB_CATEGORY_EXAMPLES _category.description ; NDB example applications and descriptions of data items in this category. ; _category.id ndb_category_examples _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name ndb_category_examples '_ndb_category_examples.id' ndb_category_examples '_ndb_category_examples.case' save_ save__ndb_category_examples.id _item.name '_ndb_category_examples.id' _item.category_id ndb_category_examples _item.mandatory_code implicit _item_type.name '_ndb_category_examples.id' _item_type.code idname _item_linked.child_name '_ndb_category_examples.id' _item_linked.parent_name '_category.id' save_ save__ndb_category_examples.case _item_description.name '_ndb_category_examples.case' _item_description.description ; NDB case of examples involving items in this category. ; _item.name '_ndb_category_examples.case' _item.category_id ndb_category_examples _item.mandatory_code yes _item_type.name '_ndb_category_examples.case' _item_type.code text save_ save__ndb_category_examples.detail _item_description.name '_ndb_category_examples.detail' _item_description.description ; NDB description of an example _category_examples.case ; _item.name '_ndb_category_examples.detail' _item.category_id ndb_category_examples _item.mandatory_code no _item_type.name '_ndb_category_examples.detail' _item_type.code text save_ #-------------------------------------------------------------------------- save_NDB_ITEM_DESCRIPTION _category.description ; This category holds the NDB descriptions of each data item. ; _category.id ndb_item_description _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name ndb_item_description '_ndb_item_description.name' ndb_item_description '_ndb_item_description.description' loop_ _category_group.id _category_group.category_id 'ddl_group' ndb_item_description 'item_group' ndb_item_description save_ save__ndb_item_description.name _item_description.name '_ndb_item_description.name' _item_description.description ; Data name of the defined item. ; _item.name '_ndb_item_description.name' _item.category_id ndb_item_description _item.mandatory_code implicit _item_type.name '_ndb_item_description.name' _item_type.code name _item_linked.child_name '_ndb_item_description.name' _item_linked.parent_name '_item.name' save_ save__ndb_item_description.description _item_description.name '_ndb_item_description.description' _item_description.description ; NDB text description of the defined data item. ; _item.name '_ndb_item_description.description' _item.category_id ndb_item_description _item.mandatory_code yes _item_type.name '_ndb_item_description.description' _item_type.code text save_ # -------------------------------------------------------------------------- save_NDB_ITEM_ENUMERATION _category.description ; Attributes which specify the permitted enumeration of the items. ; _category.id ndb_item_enumeration _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name ndb_item_enumeration '_ndb_item_enumeration.name' ndb_item_enumeration '_ndb_item_enumeration.value' loop_ _category_group.category_id _category_group.id ndb_item_enumeration 'ddl_group' ndb_item_enumeration 'item_group' save_ save__ndb_item_enumeration.name _item.name '_ndb_item_enumeration.name' _item.category_id ndb_item_enumeration _item.mandatory_code implicit _item_type.name '_ndb_item_enumeration.name' _item_type.code name _item_linked.child_name '_ndb_item_enumeration.name' _item_linked.parent_name '_item.name' save_ save__ndb_item_enumeration.value _item_description.name '_ndb_item_enumeration.value' _item_description.description ; A permissible value, character or number, for the defined item. ; _item.name '_ndb_item_enumeration.value' _item.category_id ndb_item_enumeration _item.mandatory_code yes _item_type.name '_ndb_item_enumeration.value' _item_type.code any save_ save__ndb_item_enumeration.detail _item_description.name '_ndb_item_enumeration.detail' _item_description.description ; A description of a permissible value for the defined item. ; _item.name '_ndb_item_enumeration.detail' _item.category_id ndb_item_enumeration _item.mandatory_code no _item_type.name '_ndb_item_enumeration.detail' _item_type.code text save_ # -------------------------------------------------------------------------- save_NDB_ITEM_EXAMPLES _category.description ; Attributes for describing application examples of the data item. ; _category.id ndb_item_examples _category.mandatory_code no _category.implicit_key mmcif_ddl.dic loop_ _category_key.id _category_key.name ndb_item_examples '_ndb_item_examples.name' ndb_item_examples '_ndb_item_examples.case' loop_ _category_group.id _category_group.category_id 'ddl_group' ndb_item_examples 'item_group' ndb_item_examples save_ save__ndb_item_examples.case _item_description.name '_ndb_item_examples.case' _item_description.description ; NDB example application of the defined data item. ; _item.name '_ndb_item_examples.case' _item.category_id ndb_item_examples _item.mandatory_code yes _item_type.name '_ndb_item_examples.case' _item_type.code text save_ save__ndb_item_examples.detail _item_description.name '_ndb_item_examples.detail' _item_description.description ; NDB description of an example specified in _ndb_item_example.case ; _item.name '_ndb_item_examples.detail' _item.category_id ndb_item_examples _item.mandatory_code yes _item_type.name '_ndb_item_examples.detail' _item_type.code text save_ save__ndb_item_examples.name _item.name '_ndb_item_examples.name' _item.category_id ndb_item_examples _item.mandatory_code implicit _item_type.name '_ndb_item_examples.name' _item_type.code name _item_linked.child_name '_ndb_item_examples.name' _item_linked.parent_name '_item.name' save_ #### EOF mmcif_ddl-def-2.dic