aiida_catmat.utils package

Submodules

aiida_catmat.utils.mapping module

from aiida-quantumespresso plugin

aiida_catmat.utils.mapping.prepare_process_inputs(process, inputs)

Prepare the inputs for submission for the given process, according to its spec. That is to say that when an input is found in the inputs that corresponds to an input port in the spec of the process that expects a Dict, yet the value in the inputs is a plain dictionary, the value will be wrapped in by the Dict class to create a valid input. :param process: sub class of Process for which to prepare the inputs dictionary :param inputs: a dictionary of inputs intended for submission of the process :return: a dictionary with all bare dictionaries wrapped in Dict if dictated by the process spec

aiida_catmat.utils.mapping.wrap_bare_dict_inputs(port_namespace, inputs)

Wrap bare dictionaries in inputs in a Dict node if dictated by the corresponding port in given namespace. :param port_namespace: a PortNamespace :param inputs: a dictionary of inputs intended for submission of the process :return: a dictionary with all bare dictionaries wrapped in Dict if dictated by the port namespace

Module contents

Initialize utils