Discussion List Archives

[Date Prev][Date Next][Thread Prev][Thread Next][Date Index][Thread Index]

_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"It has been replaced by _atom_site.refinement_flags_posn, *_adp and *_occupancy".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
_______________________________________________
cif-developers mailing list
cif-developers@iucr.org
http://scripts.iucr.org/mailman/listinfo/cif-developers

Reply to: [list | sender only]
International Union of Crystallography

Scientific Union Member of the International Science Council (admitted 1947). Member of CODATA, the ISC Committee on Data. Partner with UNESCO, the United Nations Educational, Scientific and Cultural Organization in the International Year of Crystallography 2014.

International Science Council Scientific Freedom Policy

The IUCr observes the basic policy of non-discrimination and affirms the right and freedom of scientists to associate in international scientific activity without regard to such factors as ethnic origin, religion, citizenship, language, political stance, gender, sex or age, in accordance with the Statutes of the International Council for Science.