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Add molecular data exposure to tardis atom data #2806

Merged
merged 13 commits into from
Aug 22, 2024
25 changes: 25 additions & 0 deletions tardis/io/atom_data/base.py
Original file line number Diff line number Diff line change
Expand Up @@ -221,6 +221,17 @@ def from_hdf(cls, fname=None):
if "linelist" in store:
dataframes["linelist"] = store["linelist"]

if "molecules" in store:
dataframes["molecular_equilibrium_constants"] = store[
"molecules/equilibrium_constants"
]
dataframes["molecular_partition_functions"] = store[
"molecules/partition_functions"
]
dataframes["molecular_dissociation_energies"] = store[
"molecules/dissociation_energies"
]

atom_data = cls(**dataframes)

try:
Expand Down Expand Up @@ -284,6 +295,9 @@ def __init__(
two_photon_data=None,
linelist=None,
decay_radiation_data=None,
molecular_equilibrium_constants=None,
molecular_partition_functions=None,
molecular_dissociation_energies=None,
):
self.prepared = False

Expand Down Expand Up @@ -346,6 +360,17 @@ def __init__(
if linelist is not None:
self.linelist = linelist

if molecular_equilibrium_constants is not None:
self.molecular_equilibrium_constants = (
molecular_equilibrium_constants
)
if molecular_partition_functions is not None:
self.molecular_partition_functions = molecular_partition_functions
if molecular_dissociation_energies is not None:
self.molecular_dissociation_energies = (
molecular_dissociation_energies
)

if decay_radiation_data is not None:
self.decay_radiation_data = decay_radiation_data
self._check_related()
Expand Down
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