aiida_quantumespresso.utils.mapping

Utilities to deal with various mapping data structures.

Module Contents

Functions

get_logging_container()	Return an AttributeDict that can be used to map logging messages to certain log levels.
update_mapping(original, source)	Update a nested dictionary with another optionally nested dictionary.
prepare_process_inputs(process, inputs)	Prepare the inputs for submission for the given process, according to its spec.
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.

aiida_quantumespresso.utils.mapping.get_logging_container()

Return an AttributeDict that can be used to map logging messages to certain log levels.

This datastructure is useful to add log messages in a function that does not have access to the right logger. Once returned, the caller who does have access to the logger can then easily loop over the contents and pipe the messages through the actual logger.

Returns:

AttributeDict

aiida_quantumespresso.utils.mapping.update_mapping(original, source)

Update a nested dictionary with another optionally nested dictionary.

The dictionaries may be plain Mapping objects or Dict nodes. If the original dictionary is an instance of Dict the returned dictionary will also be wrapped in Dict.

Parameters:

• original – Mapping object or Dict instance

• source – Mapping object or Dict instance

Returns:

the original dictionary updated with the source dictionary

aiida_quantumespresso.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.

Parameters:

• process – sub class of Process for which to prepare the inputs dictionary

• inputs – a dictionary of inputs intended for submission of the process

Returns:

a dictionary with all bare dictionaries wrapped in Dict if dictated by the process spec

aiida_quantumespresso.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.

Parameters:

• port_namespace – a PortNamespace

• inputs – a dictionary of inputs intended for submission of the process

Returns:

a dictionary with all bare dictionaries wrapped in Dict if dictated by the port namespace