aiida_chemshell.workflows.utils module

Shared utility helpers for aiida-chemshell WorkChains.

aiida_chemshell.workflows.utils.apply_default_input_node_tags(inputs: Mapping, default_tags: dict) → None

Apply default labels and descriptions to WorkChain input nodes.

Iterates over the provided input nodes and, for any node named in default_tags that does not already have a label or description set, assigns the corresponding default value. Existing labels and descriptions are left untouched. Namespaced inputs (e.g. an input namespace containing multiple nodes) are handled by tagging every node they contain.

Parameters:

• inputs (Mapping) – The WorkChain input namespace (i.e. self.inputs).

• default_tags (dict[str, tuple[str, str]]) – A mapping of input port name to a (label, description) tuple.