From d39289072c32b125e65b291c0482d6317994e30c Mon Sep 17 00:00:00 2001 From: pyiron-runner Date: Mon, 20 Nov 2023 04:14:43 +0000 Subject: [PATCH] Format black --- pyiron_workflow/atomistics_library/macronodes.py | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/pyiron_workflow/atomistics_library/macronodes.py b/pyiron_workflow/atomistics_library/macronodes.py index c612bc62..f65b8789 100644 --- a/pyiron_workflow/atomistics_library/macronodes.py +++ b/pyiron_workflow/atomistics_library/macronodes.py @@ -10,7 +10,6 @@ def atomistics_meta_macro(task_generator_node_class, macro_name) -> type[Macro]: - def generic_macro(wf: Macro) -> None: wf.tasks = task_generator_node_class() wf.structures = generate_structures(instance=wf.tasks) @@ -18,11 +17,13 @@ def generic_macro(wf: Macro) -> None: wf.fit = analyse_structures(instance=wf.tasks, output_dict=wf.calc) inputs_map = { # Dynamically expose _all_ task generator input directly on the macro - "tasks__" + s: s for s in wf.tasks.inputs.labels + "tasks__" + s: s + for s in wf.tasks.inputs.labels } inputs_map["calc__calculator"] = "calculator" wf.inputs_map = inputs_map wf.outputs_map = {"fit__result_dict": "result_dict"} + generic_macro.__name__ = macro_name return macro_node()(generic_macro) @@ -34,7 +35,8 @@ def generic_macro(wf: Macro) -> None: energy_volume_curve = atomistics_meta_macro( - get_evcurve_task_generator, "energy_volume_curve", + get_evcurve_task_generator, + "energy_volume_curve", ) phonons = atomistics_meta_macro(get_phonons_task_generator, "phonons")