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_item_related.function_code

  • Subject: _item_related.function_code
  • From: Richard Gildea <rgildea@xxxxxxxxx>
  • Date: Mon, 14 Jun 2010 13:07:08 +0100
Dear All,

I have query regarding the _item_related.function_code definitions and their use in item definitions.

The descriptions for the 'replaces' and 'replacedby' value for _item_related.function_code are:

"REPLACES  indicates that the defined item replaces the item identified in _item_related.related_name."

and

"REPLACEDBY  indicates that the defined item is replaced by the item identified in  _item_related.related_name."

From the _atom_site.refinement_flags definition in cif_mm.dic these items are defined as follows:

    loop_
     _item_related.related_name
     _item_related.function_code
                               '_atom_site.refinement_flags_posn'      replaces
                               '_atom_site.refinement_flags_adp'       replaces
                               '_atom_site.refinement_flags_occupancy' replaces

From the above definitions, I would take this to mean that _atom_site.refinement_flags ("the defined item") replaces the three items *_posn, *_adp, *_occupancy ("the items identified in _item_related.related_name").

This interpretation is clearly at odds with the associated description which says

"It has been replaced by _atom_site.refinement_flags_posn, *_adp and *_occupancy".

Either my interpretation of the DDL2 definitions is wrong, or I suspect that it is "replacedby" which should be used here, and not "replaces". In fact the only occurrences of "replacedby" in cif_mm.dic are in commented out definitions.

Thanks,

Richard
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