Jacob's ladder: support for ontology annotation
As a first step to supporting our DFT ontology, I would like to store the URI for some Jacob's Ladder (LDA, GGA, Meta-GGA, hybrids, hyper-GGA, Rung 5/RPA-like) as metadata. My long-term view here is that NOMAD should eventually allow for the option to export data in a knowledge graph format, after which a user can locally enhance it with an ontology.
I am building a DFT ontology (which could be readily extendible to ab initio at large), but it hasn't been published yet.
Therefore, I cannot guarantee that the IRL for the Jacob's Ladder subclasses will remain fixed.
Since we want this feature for showcase purposes, I suggest that we hold off on merging it into develop
, or is there a better workaround?
Implementation-wise, I basically have 1 question and 1 request atm:
- Do we want a general subsection to store all ontology URIs, or should each go to the most corresponding Metainfo subsection?
- Would it be possible to, in the GUI, only show the last link in the URI, e.g. if we have
/host-domain/ab-initio-ontology/F.owl#GGA
to automatically show it asGGA
?
In particular, I would really appreciate feedback from @himanel1 and @lucamghi