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FAIRmat-NFDI / AreaA-data_modeling_and_schemas

The ELN custom schemas from synthesis experiments
https://fairmat-nfdi.github.io/AreaA-Documentation/
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Substrate: how to fill the list of substances it is composed of #44

Open aalbino2 opened 1 year ago

aalbino2 commented 1 year ago

Connected to the Substance refinements #40 I was wondering whether we can add some API call also when indicating the Substances that compose a more complex Material.

Imagine that there could be some more complex substrates such as GaN-on-Sapphire, etc.

Do we want the user to instantiate each Substance and then to reference them in the Substrate, or we can think to, e.g., dumping the CAS numbers in the composition section of the Substrate directly and when saving the Substance are already instantiated as archive and referenced in the Substrate?

aalbino2 commented 1 year ago

https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/1441

aalbino2 commented 1 year ago

in more refined words, do we have a strategy to benefit of ElementalComposition into the Substrate class? Substrate is not yet a base section, should we inherit from Substance or Ensemble? or simply compose elementalComposition inside Substrate for now? @hampusnasstrom

hampusnasstrom commented 1 year ago

The way I added it in https://github.com/FAIRmat-NFDI/AreaA-data_modeling_and_schemas/blob/49-add-materi[…]hema-and-plugin/base_sections/base_sections.schema.archive.yaml it is using the ElementalComposition by inheriting from Ensemble. That would be the way I intended it but am open to discuss other solutions.

aalbino2 commented 1 year ago

Note: if I press "plus" to create a component from the ensemble class, there's not a "create button" in that referenceeditquantity because component is not entry data, so I can only reference existing stuff. I hope this issue is solving my problem: https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/1578 @hampusnasstrom

hampusnasstrom commented 1 year ago

Thanks for figuring that out @aalbino2! I was always wondering why I sometimes got a plus and sometimes not. For now we can go ahead and you just have to create them on the upload page but will be great when that issue is solved.