skyscapes.physical_model.exojax.components.species ================================================== .. py:module:: skyscapes.physical_model.exojax.components.species .. autoapi-nested-parse:: Atmospheric-gas components. Each :class:`MolecularSpecies` is a self-contained record for one atmospheric molecule: its per-planet log mass-mixing ratio (a PyTree leaf, fittable) plus the shared static data needed to evaluate both line absorption and Rayleigh scattering for that species. The atmosphere holds a tuple of these plus an optional :class:`BulkGasResidual` for the implicit residual gas (N2 for terrestrial atmospheres, H2 for gas giants). To mix and match molecules: just change the tuple. To add a new molecule supported by HITRAN, register its recipe in :data:`MOLECULE_RECIPES`. The 8-molecule set used by Star+ "Earth through time" (H2O, O2, O3, CH4, CO2, CO, N2O, SO2) is preregistered. Attributes ---------- .. autoapisummary:: skyscapes.physical_model.exojax.components.species.N2O_POLARIZABILITY_CM3 skyscapes.physical_model.exojax.components.species.PSG_O3_URL skyscapes.physical_model.exojax.components.species.PSG_SO2_URL skyscapes.physical_model.exojax.components.species.MOLECULE_RECIPES skyscapes.physical_model.exojax.components.species.BULK_GAS_RECIPES Classes ------- .. autoapisummary:: skyscapes.physical_model.exojax.components.species.MolecularSpecies skyscapes.physical_model.exojax.components.species.BulkGasResidual skyscapes.physical_model.exojax.components.species.MoleculeRecipe skyscapes.physical_model.exojax.components.species.BulkGasRecipe Functions --------- .. autoapisummary:: skyscapes.physical_model.exojax.components.species._build_rayleigh_xs skyscapes.physical_model.exojax.components.species.build_species_prebuilt skyscapes.physical_model.exojax.components.species.recipe_default_molmass skyscapes.physical_model.exojax.components.species.build_bulk_prebuilt Module Contents --------------- .. py:class:: MolecularSpecies Bases: :py:obj:`equinox.Module` One atmospheric molecule with an altitude-resolved mixing ratio. The mixing ratio is encoded as a profile component (e.g. :class:`~skyscapes.physical_model.exojax.components.mmr_profile.ConstantMmr` for well-mixed gases, ``StratosphericPeakMmr`` for O3, ``TroposphericMmr`` for H2O) rather than a single scalar, so altitude variation is represented explicitly. Attributes: profile: Per-species mmr profile. Owns the fittable log-mixing-ratio leaves. name: Molecule name, e.g. ``"H2O"``. molmass: Molar mass [g/mol]. opa: Opacity engine. Either an ExoJAX ``OpaPremodit`` (for HITRAN-backed line-list molecules) or :class:`~skyscapes.physical_model.exojax.o3_chappuis.O3ChappuisOpacity` (for visible cross-section absorbers like O3). May be ``None`` if the species contributes only Rayleigh scattering. rayleigh_xs: Pre-computed Rayleigh cross-section [cm^2/molecule] on the atmosphere's wavenumber grid, shape ``(n_nu,)``. Set to all-zeros to disable per-species Rayleigh contribution. .. py:attribute:: profile :type: skyscapes.physical_model.exojax.components.mmr_profile.AbstractMmrProfile .. py:attribute:: name :type: str .. py:attribute:: molmass :type: float .. py:attribute:: opa :type: Any .. py:attribute:: rayleigh_xs :type: jaxtyping.Array .. py:class:: BulkGasResidual Bases: :py:obj:`equinox.Module` Implicit residual gas filling the unallocated mass fraction. The mass-mixing ratio is computed dynamically as ``max(0, 1 - sum(tracked species mmrs))``. Contributes only to Rayleigh scattering (no line-list absorption is associated with the bulk gas in this model -- N2 is essentially transparent across 300--1100 nm, H2/He likewise). Attributes: name: Gas name, e.g. ``"N2"`` for Earth or ``"H2"`` for gas giants. molmass: Molar mass [g/mol]. rayleigh_xs: Rayleigh cross-section [cm^2/molecule] on the atmosphere's wavenumber grid, shape ``(n_nu,)``. .. py:attribute:: name :type: str .. py:attribute:: molmass :type: float .. py:attribute:: rayleigh_xs :type: jaxtyping.Array .. py:data:: N2O_POLARIZABILITY_CM3 :value: 3.03e-24 .. py:class:: MoleculeRecipe Build instructions for one molecule. Attributes: name: Molecule name (must match ExoJAX's HITRAN / polarizability keys when those tables apply). psg_xs_url: If set, use a PSG cross-section file at this URL (:class:`~skyscapes.physical_model.exojax.psg_xs.PsgCrossSectionOpacity`) instead of an ExoJAX line-list opa. Required for species whose absorption is dominated by electronic transitions in the visible/NIR (e.g. O3 Chappuis, SO2 UV). psg_xs_molmass: Molar mass [g/mol]; required when ``psg_xs_url`` is set since we can't extract it from HITRAN in that case. polarizability_override: Explicit polarizability [cm^3] for the Rayleigh cross-section, used when ExoJAX's table doesn't have an entry. ``None`` lets ``OpaRayleigh`` look it up. .. py:attribute:: name :type: str .. py:attribute:: psg_xs_url :type: str | None :value: None .. py:attribute:: psg_xs_molmass :type: float | None :value: None .. py:attribute:: polarizability_override :type: float | None :value: None .. py:data:: PSG_O3_URL :value: 'https://psg.gsfc.nasa.gov/data/linelists/xuv/data/o3.txt' .. py:data:: PSG_SO2_URL :value: 'https://psg.gsfc.nasa.gov/data/linelists/xuv/data/so2.txt' .. py:data:: MOLECULE_RECIPES :type: dict[str, MoleculeRecipe] .. py:class:: BulkGasRecipe Build instructions for the implicit residual gas. Attributes: name: Gas name; must match an ExoJAX polarizability key (or provide ``polarizability_override``). molmass: Molar mass [g/mol]. polarizability_override: Override polarizability if missing from ExoJAX's table. .. py:attribute:: name :type: str .. py:attribute:: molmass :type: float .. py:attribute:: polarizability_override :type: float | None :value: None .. py:data:: BULK_GAS_RECIPES :type: dict[str, BulkGasRecipe] .. py:function:: _build_rayleigh_xs(nu_grid, name, polarizability_override) Compute Rayleigh cross-section [cm^2/molecule] vs wavenumber. .. py:function:: build_species_prebuilt(*, name, nu_grid, nu_min, nu_max, databases_dir, crit) Construct (molmass, opa, rayleigh_xs) for one molecule. Used by ``build_exojax_engines``; not typically called by users directly. Returns the static parts of a :class:`MolecularSpecies` (everything except ``log_mmr``). .. py:function:: recipe_default_molmass(name) Fallback molar mass [g/mol] when HITRAN provides no entry. Uses ExoJAX's ``molinfo.molmass`` lookup. Used when the species has no HITRAN lines in the configured wavenumber range and we therefore can't construct an MdbHitran to get the value from. .. py:function:: build_bulk_prebuilt(*, name, nu_grid) Construct (molmass, rayleigh_xs) for the implicit residual gas.