FAIRmat-NFDI / nomad-material-processing

A NOMAD plugin containing base sections for material processing.
https://fairmat-nfdi.github.io/nomad-material-processing/
Apache License 2.0
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to_task function #102

Closed aalbino2 closed 1 month ago

aalbino2 commented 1 month ago

I was implementing the MBE use case and we realized we needed the sources as referenced entries and not nested sub_sections.

This would lead the to_task function to fail because it doesn't find source.material (it is now source.reference.material)

Should be make to_task accept also referecnes @hampusnasstrom ?

hampusnasstrom commented 1 month ago

@aalbino2, I think we should still have a nested source object which caries the instance data of the source in the deposition. Such as the temperature as a function of process time. What we discussed with Oliver was to have an additional entity for the whole instrument which would contain the "static" information of the source such as model, manufacturer, etc. This static data is also step independent I guess. In the filling of the instance data there could then be certain things which are filled by default from the instrument description. What do you think?

hampusnasstrom commented 1 month ago

Anyways, the material should not be static but can I guess change from deposition to deposition. Unless you are referring to the crucible with the material in which case I think that can be the material reference.

aalbino2 commented 1 month ago

Yeah, there are several viable ways that look all equally good.

I would in any case create a separate entry for the instrument with stable metadata such as chamber geometry, etc.

The metadata such as Temperature vs time can be placed in a nested section or in an entry, with not much substantial difference. I will try to stick to what we have now to avoid causing mess, though

hampusnasstrom commented 1 month ago

By "I will try to stick to what we have now" do you mean the composed section as it is in the VaporDepostion data model?

aalbino2 commented 1 month ago

exactly