Absorption Module Methods & Types

artifact(molecule::AbstractString, database::AbstractString = "hitran")

Given a molecule name and a database name, retrieve the transition file

read_hitran(filepath::String, mol::Int=-1, iso::Int=-1, ν_min::Real=0, ν_max::Real=Inf)

Read/parse a HITRAN data file and return the data in HitranTable format

make_hitran_model(hitran::HitranTable, 
                  broadening::AbstractBroadeningFunction; 
                  wing_cutoff::Real=40, 
                  vmr::Real=0, 
                  CEF::AbstractComplexErrorFunction=HumlicekWeidemann32SDErrorFunction(), 
                  architecture::AbstractArchitecture = default_architecture())

Convenience function to make a HitranModel out of the parameters (Matches makeinterpolationmodel)

make_interpolation_model(hitran::HitranTable, 
                broadening::AbstractBroadeningFunction, 
                wave_grid::AbstractRange{<:Real}, 
                p_grid::AbstractRange{<:Real},
                t_grid::AbstractRange{<:Real}; 
                wavelength_flag::Bool=false,
                wing_cutoff::Real=40, 
                vmr::Real=0, 
                CEF::AbstractComplexErrorFunction=HumlicekWeidemann32SDErrorFunction(),
                architecture::AbstractArchitecture = default_architecture())

Using a HitranModel, create an InterpolationModel by interpolating the lineshape function at the given pressure and temperature grids

absorption_cross_section(model::HitranModel, grid::AbstractRange{<:Real}, pressure::Real, temperature::Real; wavelength_flag::Bool=false)

Calculate absorption cross-section at the given pressure, temperature, and grid of wavelengths (or wavenumbers), and have the option to perform auto-differentiation

struct HitranTable{FT}

A struct, which provides all HITRAN line parameters needed to compute absorption cross sections

See https://hitran.org/docs/definitions-and-units/ for details

Fields

• mol: The molecular species identification (ID) number

• iso: The isotopologue ID number

• νᵢ: The wavenumber of the spectral line transition (cm-1) in vacuum

• Sᵢ: The spectral line intensity (cm−1/(molecule·cm−2)) at Tref=296K

• Aᵢ: The Einstein-A coefficient (s-1) of a transition

• γ_air: The air-broadened half width at half maximum (HWHM) (cm−1/atm) at Tref=296K and reference pressure pref=1atm

• γ_self: The self-broadened half width at half maximum (HWHM) (cm−1/atm) at Tref=296K and reference pressure pref=1atm

• E″: The lower-state energy of the transition (cm-1)

• n_air: The coefficient of the temperature dependence of the air-broadened half width

• δ_air: The pressure shift (cm−1/atm) at Tref=296K and pref=1atm of the line position with respect to the vacuum transition wavenumber νij

• global_upper_quanta: The electronic and vibrational quantum numbers and labels for the upper state of a transition

• global_lower_quanta: The electronic and vibrational quantum numbers and labels for the lower state of a transition

• local_upper_quanta: Rotational, hyperfine and other quantum numbers and labels for the upper state of a transition

• local_lower_quanta: Rotational, hyperfine and other quantum numbers and labels for the lower state of a transition

• ierr: Ordered list of indices corresponding to uncertainty estimates of transition parameters

• iref: Ordered list of reference identifiers for transition parameters

• line_mixing_flag: A flag indicating the presence of additional data and code relating to line-mixing

• g′: The upper state degeneracy

• g″: The lower state degeneracy

Doppler line broadening

Lorentz line broadening

Voigt line broadening

Humlicek only formulation for Complex Error Function

Mix of Humlicek and Weidemann (N=32) Error Function, suggested for Voigt function

Mix of Humlicek and Weidemann (N=32) Error Function, suggested for Speed Dependent Voigt function

Humlicek with a single rational approximation.

Mix of Humplicek and erfc Special Function for Voigt

Mix of Humplicek and erfc Special Function for Voigt

erfc Special Function for Voigt

struct HitranModel{FT}

A struct which provides all model parameters needed for cross-section calculations using HITRAN data

Fields

• hitran: Struct with hitran data

• broadening: Broadening function (Doppler/Lorentz/Voigt)

• wing_cutoff: Wing cutoff [cm-1]

• vmr: VMR of gas itself [0-1]

• CEF: Complex Error Function to Use

• architecture: Computer Architecture on which Model is run

struct InterpolationModel{FT}

A struct which provides all model parameters needed for cross-section calculations using an Interpolator

Fields

• itp: The interpolator

• mol: The molecular species identification (ID) number

• iso: The isotopologue ID number

• ν_grid: Wavelength grids

• p_grid: Wavelength grids

• t_grid: Wavelength grids