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7 files changed

+310
-313
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.pre-commit-config.yaml

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -24,7 +24,7 @@ repos:
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hooks:
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- id: yamlfmt
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- repo: https://github.com/astral-sh/ruff-pre-commit
27-
rev: v0.14.14
27+
rev: v0.15.4
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hooks:
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- id: ruff-check
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args: [--fix]

artisatomic/__init__.py

Lines changed: 2 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -1187,7 +1187,7 @@ def weightedavgthresholdinev(energylevels_thision, ids) -> float:
11871187
# reads a Hillier level name and returns the term
11881188
# tuple (twosplusone, l, parity)
11891189
def get_term_as_tuple(config: str) -> tuple[int, int, int]:
1190-
config = config.split("[")[0]
1190+
config = config.split("[", maxsplit=1)[0]
11911191

11921192
if "{" in config and "}" in config: # JJ coupling, no L and S
11931193
if config[-1] == "e":
@@ -1261,7 +1261,7 @@ def interpret_parent_term(strin: str) -> tuple[int, int, int]:
12611261
def reduce_configuration(instr: str) -> str:
12621262
if instr == "-1":
12631263
return "-1"
1264-
instr = instr.split("[")[0] # remove trailing bracketed J value
1264+
instr = instr.split("[", maxsplit=1)[0] # remove trailing bracketed J value
12651265

12661266
if instr[-1] not in ["o", "e"]:
12671267
instr = instr + "e" # last character being S,P,D, etc means even

artisatomic/readfacdata.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -269,7 +269,7 @@ def read_levels_and_transitions(atomic_number, ion_stage, flog):
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270270

271271
def get_level_valence_n(levelname: str):
272-
part = levelname.split(" ")[-1]
272+
part = levelname.rsplit(" ", maxsplit=1)[-1]
273273
if part[-1] not in "spdfg":
274274
# end of string is a number of electrons in the orbital, not a principal quantum number, so remove it
275275
assert part[-1].isdigit()

artisatomic/readfloers25data.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -109,7 +109,7 @@ def read_levels_and_transitions(atomic_number: int, ion_stage: int, flog, calibr
109109

110110

111111
def get_level_valence_n(levelname: str):
112-
part = levelname.split(".")[-1]
112+
part = levelname.rsplit(".", maxsplit=1)[-1]
113113
if part[-1] not in "spdfg":
114114
# end of string is a number of electrons in the orbital, not a principal quantum number, so remove it
115115
assert part[-1].isdigit()

artisatomic/readtanakajpltdata.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -111,7 +111,7 @@ def read_levels_and_transitions(atomic_number, ion_stage, flog):
111111

112112

113113
def get_level_valence_n(levelname: str):
114-
n = int(levelname.split(" ")[-1].split(" ", maxsplit=1)[0].rstrip("spdfg+-"))
114+
n = int(levelname.rsplit(" ", maxsplit=1)[-1].split(" ", maxsplit=1)[0].rstrip("spdfg+-"))
115115
assert n >= 0
116116
assert n < 20
117117
return n

pyproject.toml

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -30,7 +30,7 @@ dependencies = [
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"h5py>=3.10.0",
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"numpy>=2.2.6",
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"pandas>=3.0.0",
33-
"polars>=1.31.0",
33+
"polars>=1.37.1",
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"pyarrow>=18.1.0",
3535
"requests>=2.32.5",
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"scipy>=1.15.3",

uv.lock

Lines changed: 303 additions & 306 deletions
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