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COMCIFS / TopoCif

Development of the Topology CIF Dictionary
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Data item `_topol_node.wyckoff_symbol` should be redefined as an enumeration set #46

Closed vaitkus closed 3 years ago

vaitkus commented 3 years ago

Data item _topol_node.Wyckoff_symbol draws its values from a finite set of values therefore it makes sense to redefine it as an enumeration set (for example, see a most similar data item _space_group_Wyckoff.letter from the CIF_CORE dictionary that already has its values expressed an enumeration set).

Note, that a similar issue has been raised for the _atom_site.Wyckoff_symbol from the CIF_CORE dictionary (see [1]) with an additional proposal to move the shared enumeration values to the templ_attr.cif file. Due to this, it would probably be better to wait until the aforementioned issue is resolved and import the enumeration values from the updated templ_attr.cif file.

[1] https://github.com/COMCIFS/cif_core/issues/71

vaitkus commented 3 years ago

Issue resolved by merging PR #58.