[Cod-bugs] Optimade question

[Robert Hanson]

Thank you Andrius. Glad to see that that revised link worked. Interesting
question -- clearly an advantage to *not* sending
 the data inline or having to convert from such a good primary standard as
CIF. I will vote that one up!

BTW, Andrius, the IUPAC FAIRSpec standard is really coming along. I think
this could be of interest to you.

VERY preliminary spec:
https://docs.google.com/document/d/1BBxdcpBtzsIzhsUb54GCYsX55qD5_emqKRl_xg1PbiA/edit?usp=sharing

sample finding aids:
https://chemapps.stolaf.edu/iupac/site/ifd2/









On Wed, Apr 13, 2022 at 9:40 AM Andrius Merkys <andrius.merkys at gmail.com>
wrote:

> Hello,
>
> On 2022-04-13 17:31, Robert Hanson wrote:
> > On Tue, Apr 12, 2022 at 7:58 AM Robert Hanson <hansonr at stolaf.edu
> > <mailto:hansonr at stolaf.edu>> wrote:
> >     I have a question for you. When I issue this request:
> >
> >
> https://www.crystallography.net/cod/optimade/structures?filter=nelements=6&page_limit=2
> >     <
> https://www.crystallography.net/cod/optimade/structures?filter=nelements=6&page_limit=2
> >
> >
> >     I get a circular reference:
> >
> >     image.png
> >
> >     with
> >
> https://www.crystallography.net/cod/optimade/v1.1.0/structures/1000096
> >     <
> https://www.crystallography.net/cod/optimade/v1.1.0/structures/1000096>
> >     having the same link -- to itself!
>
> Yes, this is intentional. "self" is supposed to be a link to the record
> itself per OPTIMADE specification, I believe.
>
> >     I was hoping for a reference to a cif file. :)
> >
> >     Q: Is this the way OPTIMADE is supposed to work? Or is there a
> >     problem with COD's implementation?
>
> Support for links to files is not yet in the OPTIMADE specification. It
> has a long standing feature request, though [1].
>
> [1] https://github.com/Materials-Consortia/OPTIMADE/issues/211
>
> Best wishes,
> Andrius
>
> --
> Andrius Merkys
> Vilnius University Institute of Biotechnology, Saulėtekio al. 7
> LT-10257 Vilnius, Lithuania
>


-- 
Robert M. Hanson
Professor of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr


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