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Fix species dump #129

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Merged
chengcli merged 1 commit into from
May 12, 2026
Merged

Fix species dump #129

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3 changes: 1 addition & 2 deletions python/spectra/dump_cli.py
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Original file line number Diff line number Diff line change
Expand Up @@ -292,8 +292,7 @@ def _xsection_dataset(
keep_cia_generic = False
if keep_cia_generic:
rename_map["sigma_cia_cm2_molecule"] = "sigma_cia"
dataset = dataset.rename_vars(rename_map)
dataset = dataset.swap_dims({"wavenumber_cm1": "wavenumber"})
dataset = dataset.rename(rename_map)
add_wavenumber_attrs(dataset)
dataset[f"sigma_line_{species_token}"].attrs = {"long_name": f"{species_name or spectrum.species_name} line absorption cross section", "units": "cm^2 molecule^-1"}
dataset["sigma_total"].attrs = {"long_name": "total absorption cross section", "units": "cm^2 molecule^-1"}
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27 changes: 27 additions & 0 deletions tests/spectra/test_cli.py
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Expand Up @@ -628,6 +628,33 @@ def test_stack_state_grid_datasets_adds_del_temperature_and_pressure_dimensions(
fourth.close()


def test_xsection_dataset_renames_wavenumber_dimension_without_leaving_legacy_dim() -> None:
spectrum = AbsorptionSpectrum(
species_name="H2O",
wavenumber_cm1=np.array([20.0, 21.0]),
sigma_line_cm2_molecule=np.array([1.0, 2.0]),
sigma_cia_cm2_molecule=np.array([0.1, 0.2]),
sigma_total_cm2_molecule=np.array([1.1, 2.2]),
kappa_line_cm1=np.array([3.0, 4.0]),
kappa_cia_cm1=np.array([0.3, 0.4]),
kappa_total_cm1=np.array([3.3, 4.4]),
attenuation_line_m1=np.array([5.0, 6.0]),
attenuation_cia_m1=np.array([0.5, 0.6]),
attenuation_total_m1=np.array([5.5, 6.6]),
temperature_k=300.0,
pressure_pa=1.0e5,
number_density_cm3=2.4e19,
)

dataset = _xsection_dataset(spectrum, species_name="H2O", wn_range=(20.0, 22.0))
try:
assert tuple(dataset.dims) == ("wavenumber",)
assert "wavenumber_cm1" not in dataset.dims
assert "wavenumber_cm1" not in dataset.coords
finally:
dataset.close()


def test_cli_xsection_temperature_list_writes_temperature_stacked_dataset(monkeypatch, tmp_path, capsys) -> None:
monkeypatch.setattr(
sys,
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