Absorption::LineMixing Namespace Reference

Namespaces
namespace	LinearRovibErrorCorrectedSudden
	Generic interface for ECS calculations.
namespace	Makarov2020etal

Classes
struct	EcsReturn
struct	EquivalentLines
	Contains recomputed equivalent lines (sorting is unknown) More...
struct	ErrorCorrectedSuddenData
	Rovibrational line mixing data following the ideas of Collisional Effects On Molecular Spectra by J. More...
struct	MapOfErrorCorrectedSuddenData
struct	PopulationAndDipole
	Contains the population distribution and dipole. More...
struct	SpeciesErrorCorrectedSuddenData

Typedefs
using	EnergyFunction = std::function< Numeric(const Rational)>
using	ArrayOfSpeciesErrorCorrectedSuddenData = Array< SpeciesErrorCorrectedSuddenData >

Functions
std::ostream &	operator<< (std::ostream &os, const EquivalentLines &eqv)
std::ostream &	operator<< (std::ostream &os, const SpeciesErrorCorrectedSuddenData &srbd)
std::istream &	operator>> (std::istream &is, SpeciesErrorCorrectedSuddenData &srbd)
std::pair< ArrayOfIndex, PopulationAndDipole >	sorted_population_and_dipole (const Numeric T, const AbsorptionLines &band)
PopulationAndDipole	presorted_population_and_dipole (const Numeric T, const ArrayOfIndex &presorting, const AbsorptionLines &band)
ComplexMatrix	single_species_ecs_relaxation_matrix (const AbsorptionLines &band, const ArrayOfIndex &sorting, const Numeric T, const Numeric P, const SpeciesErrorCorrectedSuddenData &species_ecs_data, const Index species_pos)
ComplexMatrix	ecs_relaxation_matrix (const Numeric T, const Numeric P, const Vector &vmrs, const ErrorCorrectedSuddenData &ecs_data, const AbsorptionLines &band, const ArrayOfIndex &sorting, const Numeric frenorm)
std::pair< ComplexVector, bool >	ecs_absorption_impl (const Numeric T, const Numeric H, const Numeric P, const Numeric this_vmr, const Vector &vmrs, const ErrorCorrectedSuddenData &ecs_data, const Vector &f_grid, const Zeeman::Polarization zeeman_polarization, const AbsorptionLines &band)
EcsReturn	ecs_absorption (const Numeric T, const Numeric H, const Numeric P, const Numeric this_vmr, const Vector &vmrs, const ErrorCorrectedSuddenData &ecs_data, const Vector &f_grid, const Zeeman::Polarization zeeman_polarization, const AbsorptionLines &band, const ArrayOfRetrievalQuantity &jacobian_quantities)
Index	band_eigenvalue_adaptation (AbsorptionLines &band, const Tensor4 &tempdata, const Vector &temperatures, const Numeric P0, const Index ord)
	Adapts the band to the temperature data.
Vector	RosenkranzY (const Vector &dip, const ConstMatrixView &W, const AbsorptionLines &band)
Vector	RosenkranzG (const Vector &dip, const ConstMatrixView &W, const AbsorptionLines &band)
Vector	RosenkranzDV (const Vector &dip, const ConstMatrixView &W, const AbsorptionLines &band)
EquivalentLines	eigenvalue_adaptation_of_relmat (const ComplexMatrix &W, const Vector &pop, const Vector &dip, const AbsorptionLines &band, const Numeric frenorm, const Numeric T, const Numeric P, const Numeric QT, const Numeric QT0, const Index broadener)
	Adapts the relaxation matrix eigenvalues to a form where they represent additions towards the three Rosenkranz parameters and the 3rd order pressure broadening term.
Tensor4	ecs_eigenvalue_approximation (const AbsorptionLines &band, const Vector &temperatures, const ErrorCorrectedSuddenData &ecs_data, const Numeric P)
Tensor4	rosenkranz_approximation (const AbsorptionLines &band, const Vector &temperatures, const ErrorCorrectedSuddenData &ecs_data, const Numeric P)
void	ecs_eigenvalue_adaptation (AbsorptionLines &band, const Vector &temperatures, const ErrorCorrectedSuddenData &ecs_data, const Numeric P0, const Index ord, const bool robust, const bool rosenkranz_adaptation, const Verbosity &verbosity)
Tensor5	ecs_eigenvalue_adaptation_test (const AbsorptionLines &band, const Vector &temperatures, const ErrorCorrectedSuddenData &ecs_data, const Vector &pressures)
std::ostream &	operator<< (std::ostream &os, const ErrorCorrectedSuddenData &rbd)
std::istream &	operator>> (std::istream &is, ErrorCorrectedSuddenData &rbd)
std::ostream &	operator<< (std::ostream &os, const MapOfErrorCorrectedSuddenData &m)

Typedef Documentation

ArrayOfSpeciesErrorCorrectedSuddenData

using Absorption::LineMixing::ArrayOfSpeciesErrorCorrectedSuddenData = typedef Array<SpeciesErrorCorrectedSuddenData>

Definition at line 106 of file linemixing.h.

EnergyFunction

using Absorption::LineMixing::EnergyFunction = typedef std::function<Numeric (const Rational)>

Definition at line 70 of file linemixing.h.

Function Documentation

band_eigenvalue_adaptation()

Index Absorption::LineMixing::band_eigenvalue_adaptation	(	AbsorptionLines &	band,
		const Tensor4 &	tempdata,
		const Vector &	temperatures,
		const Numeric	P0,
		const Index	ord
	)

Adapts the band to the temperature data.

Returns

EXIT_FAILURE on failure

EXIT_SUCCESS on success

Definition at line 1110 of file linemixing.cc.

References ARTS_USER_ERROR, c, joker, Absorption::Lines::lines, LineShape::ModelParameters::N, N, Absorption::Lines::normalization, Absorption::Lines::NumBroadeners(), Absorption::Lines::NumLines(), and Absorption::Lines::population.

Referenced by ecs_eigenvalue_adaptation(), and lm_hitran_2017::hitran_lm_eigenvalue_adaptation().

ecs_absorption()

EcsReturn Absorption::LineMixing::ecs_absorption	(	const Numeric	T,
		const Numeric	H,
		const Numeric	P,
		const Numeric	this_vmr,
		const Vector &	vmrs,
		const ErrorCorrectedSuddenData &	ecs_data,
		const Vector &	f_grid,
		const Zeeman::Polarization	zeeman_polarization,
		const AbsorptionLines &	band,
		const ArrayOfRetrievalQuantity &	jacobian_quantities = {}
	)

Computed the Error Corrected Sudden Complex absorption with Zeeman effect perturbations

Note that Zeeman perturbations are only applied after the ECS computations, and only if zeeman_polarization is not None

Parameters

[in]	T	The temperature
[in]	P	The pressure
[in]	this_vmr	The VMR of this species
[in]	vmrs	The VMRs of all broadeners of the absorption band
[in]	mass	The mass of all broadeners of the absorption band
[in]	f_grid	The grid of frequencies
[in]	zeeman_polarization	The Zeeman polarization to consider
[in]	band	The absorption band

Returns

Complex absorption of the Zeeman component

Definition at line 763 of file linemixing.cc.

References ARTS_USER_ERROR_IF, Absorption::Lines::bathbroadening, Absorption::Lines::broadeningspecies, Absorption::Lines::BroadeningSpeciesPosition(), d, Absorption::Lines::DoVmrDerivative(), ecs_absorption_impl(), Absorption::Lines::Isotopologue(), Absorption::Lines::lines, Array< base >::nelem(), Absorption::Lines::NumLines(), Absorption::LineMixing::ErrorCorrectedSuddenData::pos(), Absorption::Lines::quantumidentity, Absorption::Lines::selfbroadening, and Absorption::LineMixing::ErrorCorrectedSuddenData::size().

Referenced by main(), propmat_clearskyAddOnTheFlyLineMixing(), and propmat_clearskyAddOnTheFlyLineMixingWithZeeman().

ecs_absorption_impl()

std::pair< ComplexVector, bool > Absorption::LineMixing::ecs_absorption_impl	(	const Numeric	T,
		const Numeric	H,
		const Numeric	P,
		const Numeric	this_vmr,
		const Vector &	vmrs,
		const ErrorCorrectedSuddenData &	ecs_data,
		const Vector &	f_grid,
		const Zeeman::Polarization	zeeman_polarization,
		const AbsorptionLines &	band
	)

Definition at line 691 of file linemixing.cc.

References a, Absorption::Lines::DopplerConstant(), ecs_relaxation_matrix(), Absorption::Lines::F_mean(), Constant::h, Constant::k, Absorption::Lines::lineshapetype, ConstVectorView::nelem(), number_density(), Absorption::Lines::NumLines(), ComplexVectorView::real(), real_val(), sorted_population_and_dipole(), Constant::sqrt_ln_2, Constant::sqrt_pi, Absorption::LineMixing::EquivalentLines::str, Absorption::LineMixing::EquivalentLines::val, w, Absorption::Lines::ZeemanCount(), Absorption::Lines::ZeemanSplitting(), and Absorption::Lines::ZeemanStrength().

Referenced by ecs_absorption().

ecs_eigenvalue_adaptation()

void Absorption::LineMixing::ecs_eigenvalue_adaptation	(	AbsorptionLines &	band,
		const Vector &	temperatures,
		const ErrorCorrectedSuddenData &	ecs_data,
		const Numeric	P0,
		const Index	ord,
		const bool	robust,
		const bool	rosenkranz_adaptation,
		const Verbosity &	verbosity
	)

Adapts the band to use Rosenkranz parameters from Eigenvalue decomposition

Fits will be of form:

Y ~ P * polyfit(x, y, LineShape::ModelParameters::N - 1) DV ~ P ** 2 * polyfit(x, dv, LineShape::ModelParameters::N - 1) G ~ P ** 2 * polyfit(x, g, LineShape::ModelParameters::N - 1) DG ~ P ** 3 * polyfit(x, dg, LineShape::ModelParameters::N - 1)

where all the values are computed at P0 but re-normalized by the order above

Note that these parameters will fail at high pressures

Parameters

[in]	band	The absorption band
[in]	temperatures	The temperature grid for fitting parameters upon
[in]	mass	The mass of all broadeners of the absorption band
[in]	P0	The pressure at which temperature dependencies are computed at
[in]	ord	The order of the parameters [1: Y; 2: Y, DF, G; 3: Y, DF, G, DG], the last is still not supported fully
[in]	robust	Doesn't throw on failure if true
[in]	rosenkranz_adaptation	Makes the explicit computation of Rosenkranz parameters
[in]	verbosity	As WSM

Returns

EXIT_FAILURE when some parameterization fit fails

EXIT_SUCCESS if all algorithms worked (independent of if the absorption will be reasonable)

Definition at line 1452 of file linemixing.cc.

References ARTS_USER_ERROR_IF, band_eigenvalue_adaptation(), CREATE_OUT3, ecs_eigenvalue_approximation(), is_sorted(), Absorption::Lines::lines, Absorption::Lines::normalization, Absorption::Lines::population, Absorption::Lines::quantumidentity, and rosenkranz_approximation().

Referenced by abs_linesAdaptOnTheFlyLineMixing(), and main().

ecs_eigenvalue_adaptation_test()

Tensor5 Absorption::LineMixing::ecs_eigenvalue_adaptation_test	(	const AbsorptionLines &	band,
		const Vector &	temperatures,
		const ErrorCorrectedSuddenData &	ecs_data,
		const Vector &	pressures
	)

Outputs the adaptation values used for ecs_eigenvalue_adaptation but as a function of pressure. ecs_eigenvalue_adaptation makes strong assumptions about the pressure order of the outputs used, and if this work for a given band can be found out using this data

Parameters

[in]	band	The absorption band [N lines]
[in]	temperatures	The temperature grid for fitting parameters upon [K temperatures]
[in]	mass	The mass of all broadeners of the absorption band [M broadeners]
[in]	pressures	The pressures for testing [L pressures]

Returns

Tensor with size [4, N, M, K, L]

Definition at line 1500 of file linemixing.cc.

References ecs_eigenvalue_approximation(), joker, M, N, ConstVectorView::nelem(), Absorption::Lines::NumBroadeners(), Absorption::Lines::NumLines(), and ConstVectorView::size().

ecs_eigenvalue_approximation()

Tensor4 Absorption::LineMixing::ecs_eigenvalue_approximation	(	const AbsorptionLines &	band,
		const Vector &	temperatures,
		const ErrorCorrectedSuddenData &	ecs_data,
		const Numeric	P
	)

Computes the Eigenvalue adaptation values

The output is sorted based on frequency. If pressure shifts moves one line's frequency past another, this introduces errors. This is uncommon but happens more easily at higher pressures.

If this happens, the output of this function is not usable, but no safe-guards are in place to guard against this.

Parameters

[in]	band	The absorption band [N lines]
[in]	temperatures	The temperature grid for fitting parameters upon [K temperatures]
[in]	mass	The mass of all broadeners of the absorption band [M broadeners]

Returns

Eigenvalue line mixing parameters

Definition at line 1351 of file linemixing.cc.

References Absorption::Lines::broadeningspecies, eigenvalue_adaptation_of_relmat(), Absorption::Lines::F_mean(), Absorption::Lines::Isotopologue(), joker, Absorption::Lines::lines, M, N, ConstVectorView::nelem(), Absorption::Lines::NumBroadeners(), Absorption::Lines::NumLines(), presorted_population_and_dipole(), single_partition_function(), single_species_ecs_relaxation_matrix(), sorted_population_and_dipole(), and Absorption::Lines::T0.

Referenced by ecs_eigenvalue_adaptation(), and ecs_eigenvalue_adaptation_test().

ecs_relaxation_matrix()

ComplexMatrix Absorption::LineMixing::ecs_relaxation_matrix	(	const Numeric	T,
		const Numeric	P,
		const Vector &	vmrs,
		const ErrorCorrectedSuddenData &	ecs_data,
		const AbsorptionLines &	band,
		const ArrayOfIndex &	sorting,
		const Numeric	frenorm
	)

Computes the Error Corrected Sudden relaxation matrix

Parameters

[in]	T	The temperature
[in]	P	The pressure
[in]	vmrs	The VMRs of all broadeners of the absorption band
[in]	mass	The mass of all broadeners of the absorption band
[in]	band	The absorption band
[in]	sorting	The sorting of the band
[in]	frenorm	The renormalization of frequency

Returns

The relaxation matrix

Definition at line 660 of file linemixing.cc.

References Absorption::Lines::broadeningspecies, Absorption::Lines::lines, M, matpack::eigen::mat(), N, ConstVectorView::nelem(), Absorption::Lines::NumLines(), real_val(), and single_species_ecs_relaxation_matrix().

Referenced by ecs_absorption_impl().

eigenvalue_adaptation_of_relmat()

EquivalentLines Absorption::LineMixing::eigenvalue_adaptation_of_relmat	(	const ComplexMatrix &	W,
		const Vector &	pop,
		const Vector &	dip,
		const AbsorptionLines &	band,
		const Numeric	frenorm,
		const Numeric	T,
		const Numeric	P,
		const Numeric	QT,
		const Numeric	QT0,
		const Index	broadener
	)

Adapts the relaxation matrix eigenvalues to a form where they represent additions towards the three Rosenkranz parameters and the 3rd order pressure broadening term.

The EquivalentLines are sorted by the real part of the val-component. At a sufficiently small pressure, this is equivalent to sorting by line frequency. At higher pressures, the sorting might be wrong

The output is adapted to fit into standard LBL calculations assuming that the pressure-sorting works. This happens via an adaptation so that

X = val - Complex(F0 + D0(T), G0(T)) Y = str / I(T) - 1

are the two return values, where val and str are the output of the standard constructor of EquivalentLines.

Definition at line 1282 of file linemixing.cc.

References Constant::h, Constant::k, Absorption::Lines::lines, Absorption::Lines::NumLines(), LineShape::LocalThermodynamicEquilibrium::S, ConstVectorView::size(), Absorption::LineMixing::EquivalentLines::sort_by_frequency(), Absorption::LineMixing::EquivalentLines::str, Absorption::Lines::T0, and Absorption::LineMixing::EquivalentLines::val.

Referenced by ecs_eigenvalue_approximation(), and lm_hitran_2017::hitran_lm_eigenvalue_approximation().

operator<<() [1/4]

std::ostream & Absorption::LineMixing::operator<<	(	std::ostream &	os,
		const EquivalentLines &	eqv
	)

Definition at line 128 of file linemixing.cc.

operator<<() [2/4]

std::ostream & Absorption::LineMixing::operator<<	(	std::ostream &	os,
		const ErrorCorrectedSuddenData &	rbd
	)

Definition at line 1516 of file linemixing.cc.

operator<<() [3/4]

std::ostream & Absorption::LineMixing::operator<<	(	std::ostream &	os,
		const MapOfErrorCorrectedSuddenData &	m
	)

Definition at line 1570 of file linemixing.cc.

operator<<() [4/4]

std::ostream & Absorption::LineMixing::operator<<	(	std::ostream &	os,
		const SpeciesErrorCorrectedSuddenData &	srbd
	)

Definition at line 137 of file linemixing.cc.

operator>>() [1/2]

std::istream & Absorption::LineMixing::operator>>	(	std::istream &	is,
		ErrorCorrectedSuddenData &	rbd
	)

Definition at line 1525 of file linemixing.cc.

operator>>() [2/2]

std::istream & Absorption::LineMixing::operator>>	(	std::istream &	is,
		SpeciesErrorCorrectedSuddenData &	srbd
	)

Definition at line 147 of file linemixing.cc.

presorted_population_and_dipole()

PopulationAndDipole Absorption::LineMixing::presorted_population_and_dipole	(	const Numeric	T,
		const ArrayOfIndex &	presorting,
		const AbsorptionLines &	band
	)

Returns pre-sorted population distribtions and dipoles

Parameters

[in]	T	The temperature
[in]	presorting	Changes positions from [0 ... N-1] to presorting positions
[in]	band	The absorption band

Returns

Pre-sorted population distribtions and dipoles

Definition at line 259 of file linemixing.cc.

References Absorption::LineMixing::PopulationAndDipole::sort().

Referenced by ecs_eigenvalue_approximation(), and rosenkranz_approximation().

rosenkranz_approximation()

Tensor4 Absorption::LineMixing::rosenkranz_approximation	(	const AbsorptionLines &	band,
		const Vector &	temperatures,
		const ErrorCorrectedSuddenData &	ecs_data,
		const Numeric	P
	)

Computes the Eigenvalue adaptation values

The output is sorted based on frequency. If pressure shifts moves one line's frequency past another, this introduces errors. This is uncommon but happens more easily at higher pressures.

If this happens, the output of this function is not usable, but no safe-guards are in place to guard against this.

Parameters

[in]	band	The absorption band [N lines]
[in]	temperatures	The temperature grid for fitting parameters upon [K temperatures]
[in]	mass	The mass of all broadeners of the absorption band [M broadeners]

Returns

Eigenvalue line mixing parameters

Definition at line 1411 of file linemixing.cc.

References Absorption::Lines::broadeningspecies, Absorption::Lines::F_mean(), ComplexMatrixView::imag(), joker, Absorption::Lines::lines, M, N, ConstVectorView::nelem(), Absorption::Lines::NumBroadeners(), Absorption::Lines::NumLines(), presorted_population_and_dipole(), RosenkranzDV(), RosenkranzG(), RosenkranzY(), single_species_ecs_relaxation_matrix(), sorted_population_and_dipole(), and Absorption::Lines::T0.

Referenced by ecs_eigenvalue_adaptation().

RosenkranzDV()

Vector Absorption::LineMixing::RosenkranzDV	(	const Vector &	dip,
		const ConstMatrixView &	W,
		const AbsorptionLines &	band
	)

Computes the Rosenkranz second order imaginary perturbation

Parameters

[in]	dip	Reduced dipoles
[in]	W	The relaxation matrix
[in]	band	The absorption band

Returns

Second order imaginary coefficients

Definition at line 1262 of file linemixing.cc.

References Absorption::Lines::lines, N, and ConstVectorView::nelem().

Referenced by rosenkranz_approximation().

RosenkranzG()

Vector Absorption::LineMixing::RosenkranzG	(	const Vector &	dip,
		const ConstMatrixView &	W,
		const AbsorptionLines &	band
	)

Computes the Rosenkranz second order real perturbation

Parameters

[in]	dip	Reduced dipoles
[in]	W	The relaxation matrix
[in]	band	The absorption band

Returns

Second order real coefficients

Definition at line 1228 of file linemixing.cc.

References Absorption::Lines::lines, N, ConstVectorView::nelem(), and Math::pow2().

Referenced by rosenkranz_approximation().

RosenkranzY()

Vector Absorption::LineMixing::RosenkranzY	(	const Vector &	dip,
		const ConstMatrixView &	W,
		const AbsorptionLines &	band
	)

Computes the Rosenkranz first order perturbation

Parameters

[in]	dip	Reduced dipoles
[in]	W	The relaxation matrix
[in]	band	The absorption band

Returns

First order coefficients

Definition at line 1201 of file linemixing.cc.

References Absorption::Lines::lines, N, and ConstVectorView::nelem().

Referenced by rosenkranz_approximation().

single_species_ecs_relaxation_matrix()

ComplexMatrix Absorption::LineMixing::single_species_ecs_relaxation_matrix	(	const AbsorptionLines &	band,
		const ArrayOfIndex &	sorting,
		const Numeric	T,
		const Numeric	P,
		const SpeciesErrorCorrectedSuddenData &	species_ecs_data,
		const Index	species_pos
	)

Computes the Error Corrected Sudden relaxation matrix for a single species

The band population type is used to select type of off-diagonal element computations

Parameters

[in]	band	The absorption band
[in]	sorting	The sorting of the band
[in]	T	The temperature
[in]	P	The pressure
[in]	species_mass	The mass of the colliding species
[in]	species_pos	The index position of the colliding species among the band broadeners

Returns

The single species relaxation matrix

Definition at line 613 of file linemixing.cc.

References ARTS_ASSERT, ComplexMatrixView::imag(), N, Absorption::Lines::NumLines(), Absorption::Lines::population, Absorption::LineMixing::Makarov2020etal::relaxation_matrix_offdiagonal(), Absorption::LineMixing::LinearRovibErrorCorrectedSudden::relaxation_matrix_offdiagonal(), and Absorption::Lines::ShapeParameters().

Referenced by ecs_eigenvalue_approximation(), ecs_relaxation_matrix(), and rosenkranz_approximation().

sorted_population_and_dipole()

std::pair< ArrayOfIndex, PopulationAndDipole > Absorption::LineMixing::sorted_population_and_dipole	(	const Numeric	T,
		const AbsorptionLines &	band
	)

Returns sorted population distribtions and dipoles and the original sorting

Parameters

[in]	T	The temperature
[in]	band	The absorption band

Returns

{sorting, sorted population distribtions and dipoles}

Definition at line 245 of file linemixing.cc.

References Absorption::LineMixing::PopulationAndDipole::sort().

Referenced by ecs_absorption_impl(), ecs_eigenvalue_approximation(), and rosenkranz_approximation().