Initial creation of properties definition
@josma @sakl @lucamghi @himanel1 @hnaesstroem
Pepe and I were taking and it is a good moment to start to slowly define a schema that can then be used for new properties. I share some an initial work plan (I can handle this first situation, in any case I am working on #1728 and everything needs to align), feel free to append / give feedback / suggest other route.
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Create a repo for the nomad-schema-properties. -
Define BaseProperty
with some basic attributes:iri
,name
,source
,type
,label
. -
Fix MetainfoNormalizer so that the properties normalize() functions are executed at the very end.
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-
Start with some easy example using theory data to showcase. I suggest: Spectra
, as defined in nomad/datamodel/results.py.-
Define Spectra(BaseProperty)
and its normalizers and methods. -
Use it to inherit in Calculation.spectra
. -
Parse test BSE data and add testing into the properties-plugin.
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Initially, this will map to results.properties and the corresponding sub-section (results.properties.spectroscopic), but this will change later on once we are more advanced and are able to define summary
for the EntryArchive fully from the taxonomy. Everything will be done by hand for now. I will just copy-paste the basic description in the schema definitions.