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_cif_ prefix #329
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In Materials-Consortia/optimade-python-tools#552 I have suggested using subnamespace |
With the merging of #473 this should be much more easier to implement now:
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On the OPTIMADE call came up the idea of a
_cif_
prefix (which was previously suggested and at the time rejected in #143).The idea is that any identifier
_x
defined in the CIF standard (https://www.iucr.org/resources/cif/dictionaries) which can be represented with OPTIMADE datatypes MAY be provided under the name_cif_x
. CIF loop data is represented as OPTIMADE correlated lists.The maintainer for this prefix would be OPTIMADE (i.e., we ourselves). There may be some more work to do in that we need to keep, and maintain, a record over CIF identifiers where the representation in terms of OPTIMADE datatypes is not obvious and how they should be represented.
One thing this prefix can be used for is to allow queries against COD for chemical formulas containing H, D, T (see #327), if that functionality isn't easily provided in the OPTIMADE structure representation.
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