COMCIFS / Powder_Dictionary

CIF definitions for powder diffraction
4 stars 4 forks source link

Deprecated _pd_refln.wavelength_id. #6

Closed jamesrhester closed 2 years ago

jamesrhester commented 2 years ago

As per #4 fixing the treatment of _pd_refln.wavelength_id so that merging of cif_core into cif_pow treats _pd_refln.wavelength_id as if it were _refln.wavelength_id for the purposes of dREL methods, effectively adding _pd_refln.wavelength_id as an alias to _refln.wavelength_id. Also indicated in the definition that _refln.wavelength_id should be used.

jamesrhester commented 2 years ago

Closes #4

vaitkus commented 2 years ago

Great, thanks! I do not have write access to this repository, so I cannot make any changes to the PR nor merge it.

There are a few additional minor changes that should be made before merging. The proposed updated definition is provided below with the explanation of the changes following it:

 save_refln.wavelength_id

    _definition.id               '_refln.wavelength_id'
    _definition.update           2021-12-06
    loop_
      _alias.definition_id
          '_refln_wavelength_id'
          '_pd_refln.wavelength_id'
          '_pd_refln_wavelength_id' 
    _description.text                   
;
      _pd_refln.wavelength_id is DEPRECATED. _refln.wavelength_id should
      be used instead.
;
    _name.category_id            refln
    _name.object_id              wavelength_id
    _name.linked_item_id         '_diffrn_radiation_wavelength.id'
    _type.purpose                Link
    _type.source                 Related
    _type.container              Single
    _type.contents               Word

save_

Changes:

  1. Save frame name was changed from __refln.wavelength_id to _refln.wavelength_id (note the single "_") so it can be correctly recognised during the importation of CIF_CORE.
  2. Dictionary style guide [1] rule 5.1 requires the save frame name to match the _definition.id data item value. Due to this, the_definition.id value was changed to "_refln.wavelength_id", value "_pd_refln.wavelength_id" was added to the alias list and value "_refln.wavelength_id" was removed from the alias list.
  3. Since definition in CIF_POW overwrites the definition in CIF_CORE it makes sense to make these definitions as similar as possible (retain the content type, aliases, etc.). Due to this, several attributes were slightly changed and the "_refln_wavelength_id" value was added to the alias list.

[1] https://github.com/COMCIFS/comcifs.github.io/blob/master/accepted/ddlm_dictionary_style_guide.md

jamesrhester commented 2 years ago

Thanks @vaitkus , I have made those changes and added you to the repository.

vaitkus commented 2 years ago

Great, thanks!