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This was done on purpose. This information can directly be retrieved from the ports in the specification, e.g.:
In [1]: fromaiida_common_workflows.workflows.relax.quantum_espressoimportQuantumEspressoCommonRelaxInputGeneratorIn [2]: QuantumEspressoCommonRelaxInputGenerator.spec().inputs['electronic_type'].choicesOut[2]: (<ElectronicType.METAL: 'metal'>, <ElectronicType.INSULATOR: 'insulator'>)
In this way, not just the arguments for which we decided to add a special method is introspectable, and it is not just the choices, it also provides the valid type and all other information specified in the spec.
The one thing that I considered adding is a single method that essentially returns spec().inputs, so the line becomes:
In [2]: QuantumEspressoCommonRelaxInputGenerator.get_input_spec()['electronic_type'].choicesOut[2]: (<ElectronicType.METAL: 'metal'>, <ElectronicType.INSULATOR: 'insulator'>)
Name to be discussed. If we agree on it, I can add it and close this issue with it.
The various
get_relax_types
,get_electronic_types
and so on are now missing. Just introspection of protocols have been preserved.The text was updated successfully, but these errors were encountered: