From 5a8cfee66369bba90a9ae6a12d8e6c9c13bd4a12 Mon Sep 17 00:00:00 2001 From: Christine Date: Wed, 3 Jul 2024 12:51:01 +0200 Subject: [PATCH] Ruff formatting --- artisatomic/__init__.py | 2 +- artisatomic/groundstatesonlynist.py | 21 ++++++++++++++++----- 2 files changed, 17 insertions(+), 6 deletions(-) diff --git a/artisatomic/__init__.py b/artisatomic/__init__.py index c02bd49..0f9df71 100755 --- a/artisatomic/__init__.py +++ b/artisatomic/__init__.py @@ -487,7 +487,7 @@ def process_files(ion_handlers: list[tuple[int, list[int | tuple[int, str]]]], a transition_count_of_level_name[i], ) = readtanakajpltdata.read_levels_and_transitions(atomic_number, ion_stage, flog) - elif handler == "gsnist": #ground states taken from NIST + elif handler == "gsnist": # ground states taken from NIST ( ionization_energy_ev[i], energy_levels[i], diff --git a/artisatomic/groundstatesonlynist.py b/artisatomic/groundstatesonlynist.py index 9c57cdb..3b2633b 100644 --- a/artisatomic/groundstatesonlynist.py +++ b/artisatomic/groundstatesonlynist.py @@ -9,6 +9,7 @@ hc_in_ev_cm = (const.h * const.c).to("eV cm").value + class EnergyLevel(t.NamedTuple): levelname: str energyabovegsinpercm: float @@ -16,7 +17,9 @@ class EnergyLevel(t.NamedTuple): parity: float -datafilepath = Path(os.path.dirname(os.path.abspath(__file__)), "..", "atomic-data-groundstatesonlynist", "groundstates.dat") +datafilepath = Path( + os.path.dirname(os.path.abspath(__file__)), "..", "atomic-data-groundstatesonlynist", "groundstates.dat" +) def read_ground_levels(atomic_number, ion_stage, flog): @@ -28,8 +31,14 @@ def read_ground_levels(atomic_number, ion_stage, flog): ionization_energy_in_ev = this_ion["IonizationEnergy"].to_numpy()[0] artisatomic.log_and_print(flog, f"ionization energy: {ionization_energy_in_ev} eV") energy_levels = [None] - energy_levels.append(EnergyLevel(levelname=this_ion["config"].to_numpy()[0], parity=0, g=this_ion["g"].to_numpy()[0], - energyabovegsinpercm=0.0)) + energy_levels.append( + EnergyLevel( + levelname=this_ion["config"].to_numpy()[0], + parity=0, + g=this_ion["g"].to_numpy()[0], + energyabovegsinpercm=0.0, + ) + ) transitions = [] transition_count_of_level_name = defaultdict(int) @@ -54,8 +63,10 @@ def extend_ion_list(ion_handlers): if not found_element: ion_handlers.append( - (atomic_number, - [(ion_stage, "gsnist")],) + ( + atomic_number, + [(ion_stage, "gsnist")], + ) ) ion_handlers.sort(key=lambda x: x[0]) return ion_handlers