Materials-Consortia / Materials-Consortia/optimade-python-tools

Add support for partial data format to Optimade python tools.

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#1,738 0 comments 0 reactions 1 assignee View on GitHub

@JPBergsma is already working on this.

Since Aug 4, 2023.

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Python
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Description

After the last optimade workshop, the option to return data in parts was added to the OPTIMADE specification. OPTIMADE PR#467
With this issue, I would like to keep track of the different steps needed to implement this in the optimade-python-tools.

  • Create a pydantic model of the partial data response format.
  • Add code to convert python object to appropriate jsonlines response.
  • Add validators
  • Add unit tests for validator model and jsonlines response generator.
  • Add example data
  • Add code to recognize a property should be returned as partial data and correctly split up data in this case.
  • Add/Update integration tests

Questions ?

It would seem logical to store data/files in Grid FS of MongoDB. Do we want to enable this by default or make it optional ?

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