diff --git a/src/aiida_quantumespresso/workflows/xps.py b/src/aiida_quantumespresso/workflows/xps.py index d06286f81..ce121de67 100644 --- a/src/aiida_quantumespresso/workflows/xps.py +++ b/src/aiida_quantumespresso/workflows/xps.py @@ -374,11 +374,11 @@ def get_treatment_filepath(cls): return files(protocols) / 'core_hole_treatments.yaml' @classmethod - def get_builder_from_protocol( # pylint: disable=too-many-statements + def get_builder_from_protocol( cls, code, structure, pseudos, core_hole_treatments=None, protocol=None, overrides=None, elements_list=None, atoms_list=None, options=None, structure_preparation_settings=None, correction_energies=None, **kwargs - ): # pylint: enable=too-many-statements + ): # pylint: disable=too-many-statements """Return a builder prepopulated with inputs selected according to the chosen protocol. :param code: the ``Code`` instance configured for the ``quantumespresso.pw`` plugin. @@ -584,8 +584,8 @@ def prepare_structures(self): 'call_link_label' : 'get_marked_structures' } } - result = get_marked_structures(input_structure, **inputs) # pylint: disable=unexpected-keyword-arg - self.ctx.supercell = input_structure # pylint: enable=unexpected-keyword-arg + result = get_marked_structures(input_structure, **inputs) + self.ctx.supercell = input_structure self.ctx.equivalent_sites_data = result.pop('output_parameters').get_dict() structures_to_process = {f'{Key.split("_")[0]}_{Key.split("_")[1]}' : Value for Key, Value in result.items()} self.report(f'structures_to_process: {structures_to_process}')