Commits on Jan 19, 2024

1. Add AEP: Add a schema to ORM classes …

   AiiDA's Python API provides an object relational mapper (ORM) that
   abstracts the various entities that can be stored inside the provenance
   graph and the relationships between them. In most use cases, users use
   this ORM directly in Python to construct new instances of entities and
   retrieve existing ones, in order to get access to their data and
   manipulate it.
   
   A current shortcoming of the ORM is that it is not possible to
   programmatically introspect the schema of each entity: that is to say,
   what data each entity stores. This makes it difficult for external
   applications to provide interfaces to create and or retrieve entity
   instances. It also makes it difficult to take the data outside of the
   Python environment since the data would have to be serialized. However,
   without a well-defined schema, doing this without an ad-hoc solution is
   practically impossible.
   
   Clear data schemas for all ORM entities would enable the creation of
   external applications to work with the data stored in AiiDA's provenance
   graph. A typical example use case would be a web API whose interface, to
   create and return ORM entities from an AiiDA profile, would be
   dynamically generated by programmatically introspecting the schema of
   all ORM entities stored within it. Currently, the interface has to be
   manually generated for each ORM entity, and data (de)serialization has
   to be implemented.

   

   sphuber committed Jan 19, 2024
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