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Update readtanakajpltdata.py
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lukeshingles committed Dec 18, 2024
1 parent b5c9d92 commit 7dc707d
Showing 1 changed file with 9 additions and 7 deletions.
16 changes: 9 additions & 7 deletions artisatomic/readtanakajpltdata.py
Original file line number Diff line number Diff line change
Expand Up @@ -79,8 +79,10 @@ def read_levels_and_transitions(atomic_number, ion_stage, flog):
# dflevels = pd.concat(reader, ignore_index=True)

dflevels = artisatomic.add_dummy_zero_level(
pl.from_pandas(reader.get_chunk(levelcount)).with_columns(
pl.col("g").cast(pl.Float64),
pl.from_pandas(reader.get_chunk(levelcount)).select(
energyabovegsinpercm=pl.col("energy_ev").cast(pl.Float64) / hc_in_ev_cm,
parity=pl.when(pl.col("parity").str.strip_chars() == "odd").then(1).otherwise(0),
g=pl.col("g").cast(pl.Float64),
levelname=pl.format(
"{},{},{}", pl.col("num"), pl.col("parity"), pl.col("configuration").str.strip_chars()
),
Expand All @@ -90,12 +92,12 @@ def read_levels_and_transitions(atomic_number, ion_stage, flog):

energy_levels = [None]
for row in dflevels[1:].iter_rows(named=True):
parity = 1 if row["parity"].strip() == "odd" else 0
energyabovegsinpercm = float(row["energy_ev"] / hc_in_ev_cm)

energy_levels.append(
energy_levels.append( # noqa: PERF401
EnergyLevel(
levelname=row["levelname"], parity=parity, g=row["g"], energyabovegsinpercm=energyabovegsinpercm
levelname=row["levelname"],
parity=row["parity"],
g=row["g"],
energyabovegsinpercm=row["energyabovegsinpercm"],
)
)

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