Absorption Module Methods & Types

Downloading HITRAN Data

vSmartMOM.artifact — Function

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

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

Reading HITRAN Files

vSmartMOM.Absorption.read_hitran — Function

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

Defining Models with Cross-Section Parameters

vSmartMOM.Absorption.make_hitran_model — Function

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

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

vSmartMOM.Absorption.make_interpolation_model — Function

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

Computing Absorption Cross-Sections

vSmartMOM.Absorption.absorption_cross_section — Function

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

Types

Hitran Data Structure Type

vSmartMOM.Absorption.HitranTable — Type

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