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Resolving a specific definition for a field from within the info endpoints #525

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ml-evs opened this issue Jun 12, 2024 · 1 comment
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@ml-evs
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ml-evs commented Jun 12, 2024

Part of the discussion around properties lead to the idea that even database-specific definitions could be promoted as a "namespace" provider, so that e.g., NOMAD could use the definition from OQMD, without having an external provider definition.

I think all we would need for that is a way to resolve a single definition, e.g., /info/structures/_mp_band_gap.

@merkys
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merkys commented Jun 27, 2024

Part of the discussion around properties lead to the idea that even database-specific definitions could be promoted as a "namespace" provider, so that e.g., NOMAD could use the definition from OQMD, without having an external provider definition.

I always thought that serving database-specific properties of other database providers was allowed. Or are there any paragraphs in the specification blocking this?

I think all we would need for that is a way to resolve a single definition, e.g., /info/structures/_mp_band_gap.

I do not quite understand the need of fragmentation, maybe I cannot envisage a use case here. Our (COD) implementation already for v1.2.0 serves OPTIMADE properties from core, _cod_ provider and will serve _cheminfo_ in a short while. For the requests on /info/structures I read in all core and _cod_ property definitions in JSON, merge them and return in a single response. When _cheminfo_ namespace gets added, I will read in its property definitions in JSON and append to what our server already returns.

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