Computations of line shape derived parameters. More...

Namespaces
namespace	LegacyLineFunctionData
	Legacy dealing with reading old LineFunctionData.

namespace	LegacyLineMixingData
	Legacy dealing with reading old LineMixingData.

namespace	LegacyPressureBroadeningData
	Legacy dealing with reading old PressureBroadeningData.

Classes
class	Calculator
	Line shape calculator. More...

struct	ComputeData
	Main computational data for the line shape and strength calculations. More...

struct	ComputeValues

struct	CutoffRange
	Struct to keep the cutoff limited range values. More...

struct	Derivatives
	Data struct for keeping derivative keys and values. More...

struct	Doppler

struct	FullNonLocalThermodynamicEquilibrium

struct	FullNonLocalThermodynamicEquilibriumInitialization

struct	HartmannTran

class	IntensityCalculator
	Class encapsulating all supported types of intensity calculations of individual absorption lines. More...

struct	LocalThermodynamicEquilibrium

struct	Lorentz

class	Model
	Main line shape model class. More...

struct	ModelParameters
	Coefficients and temperature model for SingleSpeciesModel. More...

struct	Nonorm

class	Normalizer

struct	Noshape

struct	Nostrength

struct	Output
	Main output of Model. More...

struct	RosenkranzQuadratic

struct	SimpleFrequencyScaling

class	SingleSpeciesModel
	Compute the line shape parameters for a single broadening species. More...

struct	SparseLimitRange
	Struct to keep the cutoff limited range values and the sparse limits. More...

struct	SpeedDependentVoigt

struct	VanVleckHuber

struct	VanVleckWeisskopf

struct	VibrationalTemperaturesNonLocalThermodynamicEquilibrium

struct	VibrationalTemperaturesNonLocalThermodynamicEquilibriumInitializer

struct	Voigt

Typedefs
using	ArrayOfDerivatives = Array< Derivatives >
	Helper to keep function signature clean.

Functions
constexpr Numeric	abs_squared (Complex z) noexcept

CutoffRange	limited_range (const Numeric fl, const Numeric fu, const Vector &f_grid) ARTS_NOEXCEPT
	Gets the start and size of a range such that.

SparseLimitRange	linear_sparse_limited_range (const Numeric flc, const Numeric fuc, const Numeric fls, const Numeric fus, const Vector &f_grid, const Vector &sparse_f_grid) ARTS_NOEXCEPT

SparseLimitRange	quad_sparse_limited_range (const Numeric flc, const Numeric fuc, const Numeric fls, const Numeric fus, const Vector &f_grid, const Vector &sparse_f_grid) ARTS_NOEXCEPT

Index	active_nelem (const ArrayOfDerivatives &derivs) noexcept
	Helper function to find the last relevant derivative.

void	cutoff_frequency_loop (ComputeValues &com, Calculator &ls, Calculator &ls_mirr, Normalizer &ls_norm, const Calculator &ls_cut, const Calculator &ls_mirr_cut, const IntensityCalculator &ls_str, const ArrayOfDerivatives &derivs, const Complex LM, const Numeric &T, const Numeric &dfdH, const Numeric &Sz, const Species::Species self_species) ARTS_NOEXCEPT
	Cutoff frequency loop of the line shape call.

void	frequency_loop (ComputeValues &com, Calculator &ls, Calculator &ls_mirr, Normalizer &ls_norm, const IntensityCalculator &ls_str, const ArrayOfDerivatives &derivs, const Complex LM, const Numeric &T, const Numeric &dfdH, const Numeric &Sz, const Species::Species self_species) ARTS_NOEXCEPT
	Frequency loop of the line shape call.

void	cutoff_loop_sparse_linear (ComputeData &com, ComputeData &sparse_com, Normalizer ls_norm, const IntensityCalculator ls_str, const AbsorptionLines &band, const ArrayOfDerivatives &derivs, const Output X, const Numeric &T, const Numeric &H, const Numeric &sparse_lim, const Numeric &DC, const Index i, const Zeeman::Polarization zeeman_polarization) ARTS_NOEXCEPT
	Cutoff considerations of the line shape.

void	cutoff_loop_sparse_triple (ComputeData &com, ComputeData &sparse_com, Normalizer ls_norm, const IntensityCalculator ls_str, const AbsorptionLines &band, const ArrayOfDerivatives &derivs, const Output X, const Numeric &T, const Numeric &H, const Numeric &sparse_lim, const Numeric &DC, const Index i, const Zeeman::Polarization zeeman_polarization) ARTS_NOEXCEPT

void	cutoff_loop (ComputeData &com, Normalizer ls_norm, const IntensityCalculator ls_str, const AbsorptionLines &band, const ArrayOfDerivatives &derivs, const Output X, const Numeric &T, const Numeric &H, const Numeric &DC, const Index i, const Zeeman::Polarization zeeman_polarization) ARTS_NOEXCEPT
	Cutoff considerations of the line shape.

void	line_loop (ComputeData &com, ComputeData &sparse_com, const AbsorptionLines &band, const ArrayOfRetrievalQuantity &jacobian_quantities, const EnergyLevelMap &nlte, const Vector &vmrs, const ArrayOfSpeciesTag &self_tag, const Numeric &P, const Numeric &T, const Numeric &H, const Numeric &sparse_lim, const Numeric QT, const Numeric QT0, const Numeric dQTdT, const Numeric r, const Numeric drdSELFVMR, const Numeric drdT, const Zeeman::Polarization zeeman_polarization, const Options::LblSpeedup speedup_type) ARTS_NOEXCEPT
	Loop all the lines of the band.

void	compute (ComputeData &com, ComputeData &sparse_com, const AbsorptionLines &band, const ArrayOfRetrievalQuantity &jacobian_quantities, const EnergyLevelMap &rtp_nlte, const Vector &vmrs, const ArrayOfSpeciesTag &self_tag, const Numeric &self_vmr, const Numeric &isot_ratio, const Numeric &rtp_pressure, const Numeric &rtp_temperature, const Numeric &H, const Numeric &sparse_lim, const Zeeman::Polarization zeeman_polarization, const Options::LblSpeedup speedup_type, const bool robust) ARTS_NOEXCEPT
	Compute the absorption of an absorption band.

Index	sparse_f_grid_red (const Vector &f_grid, const Numeric &sparse_df) noexcept

Vector	linear_sparse_f_grid (const Vector &f_grid, const Numeric &sparse_df) ARTS_NOEXCEPT

bool	good_linear_sparse_f_grid (const Vector &f_grid_dense, const Vector &f_grid_sparse) noexcept

Vector	triple_sparse_f_grid (const Vector &f_grid, const Numeric &sparse_df) noexcept

std::ostream &	operator<< (std::ostream &os, const Model &m)

std::istream &	operator>> (std::istream &is, Model &m)

String	ModelShape2MetaData (const Model &m)

Model	MetaData2ModelShape (const String &s)

String	modelparameters2metadata (const ModelParameters mp, const Numeric T0)

ArrayOfString	ModelMetaDataArray (const LineShape::Model &m, const bool self, const ArrayOfSpecies &sts, const Numeric T0)

Numeric &	SingleModelParameter (ModelParameters &mp, const String &type)
	Get a coefficient from ModelParameters by name.

std::ostream &	operator<< (std::ostream &os, const ModelParameters &mp)

std::istream &	operator>> (std::istream &is, ModelParameters &mp)

std::ostream &	operator<< (std::ostream &os, const SingleSpeciesModel &ssm)

std::istream &	operator>> (std::istream &is, SingleSpeciesModel &ssm)

std::ostream &	operator<< (std::ostream &os, Output x)

Model	hitran_model (Numeric sgam, Numeric nself, Numeric agam, Numeric nair, Numeric psf)

Model	lblrtm_model (Numeric sgam, Numeric nself, Numeric agam, Numeric nair, Numeric psf, std::array< Numeric, 12 > aer_interp)

	ENUMCLASS (Type, char, DP, LP, VP, SDVP, HTP, SplitLP, SplitVP, SplitSDVP, SplitHTP) const expr std
	Type of line shape to compute.

	ENUMCLASS (TemperatureModel, char, None, T0, T1, T2, T3, T4, T5, LM_AER, DPL, POLY) ENUMCLASS(Variable
	Temperature models.

constexpr ModelParameters	modelparameterGetEmpty (const TemperatureModel t) noexcept

constexpr bool	modelparameterEmpty (const ModelParameters mp) noexcept

constexpr Numeric	modelparameterFirstExponent (const ModelParameters mp) noexcept

constexpr Output	mirroredOutput (Output x) noexcept
	Output to be used by mirroring calls.

constexpr Output	negativeOutput (Output x) noexcept
	Output turned negative.

constexpr Output	si2cgs (Output x) noexcept
	Output turned from SI to CGS units.

constexpr Output	differenceOutput (Output y, Output x) noexcept
	Diff of two output.

Vector	vmrs (const ConstVectorView &atmospheric_vmrs, const ArrayOfArrayOfSpeciesTag &atmospheric_species, const ArrayOfSpecies &lineshape_species) ARTS_NOEXCEPT
	Returns a VMR vector for this model's main calculations.

Vector	mass (const ConstVectorView &atmospheric_vmrs, const ArrayOfArrayOfSpeciesTag &atmospheric_species, const ArrayOfSpecies &lineshape_species, const SpeciesIsotopologueRatios &ir) ARTS_NOEXCEPT
	Returns a mass vector for this model's main calculations.

std::istream &	from_artscat4 (std::istream &is, Type &type, bool &self, bool &bath, Model &m, ArrayOfSpecies &species, const QuantumIdentifier &qid)

std::istream &	from_linefunctiondata (std::istream &data, Type &type, bool &self, bool &bath, Model &m, ArrayOfSpecies &species)

std::istream &	from_linemixingdata (std::istream &data, Model &lsc)
	Legacy reading of old deprecated LineMixingData class.

std::istream &	from_pressurebroadeningdata (std::istream &data, LineShape::Type &type, bool &self, bool &bath, Model &m, ArrayOfSpecies &species, const QuantumIdentifier &qid)
	Legacy reading of old deprecated PressureBroadeningData class.

Variables
	char

	G0

	D0

	G2

	D2

	FVC

	ETA

	Y

	G

constexpr Index	nVars = Index(Variable::FINAL)
	Current max number of line shape variables.

constexpr std::string_view	bath_broadening = "AIR"
	Name for bath broadening in printing and reading user input.

constexpr std::string_view	self_broadening = "SELF"
	Name for self broadening in printing and reading user input.

Detailed Description

Computations of line shape derived parameters.

Defines many classes and IO routines for line shape parameters to comply with everything from no line mixing Doppler to coefficient-based line mixing Hartman-Tran profiles

Typedef Documentation

◆ ArrayOfDerivatives

using LineShape::ArrayOfDerivatives = typedef Array<Derivatives>

Helper to keep function signature clean.

Definition at line 2195 of file lineshape.cc.

Function Documentation

◆ abs_squared()

constexpr Numeric LineShape::abs_squared ( Complex z )

constexprnoexcept

Definition at line 415 of file lineshape.cc.

Referenced by LineShape::HartmannTran::calc(), LineShape::SpeedDependentVoigt::init(), and LineShape::HartmannTran::init().

◆ active_nelem()

Index LineShape::active_nelem ( const ArrayOfDerivatives & derivs )

noexcept

Helper function to find the last relevant derivative.

Definition at line 2198 of file lineshape.cc.

◆ compute()

void LineShape::compute	(	ComputeData &	com,
		ComputeData &	sparse_com,
		const AbsorptionLines &	band,
		const ArrayOfRetrievalQuantity &	jacobian_quantities,
		const EnergyLevelMap &	rtp_nlte,
		const Vector &	vmrs,
		const ArrayOfSpeciesTag &	self_tag,
		const Numeric &	self_vmr,
		const Numeric &	isot_ratio,
		const Numeric &	rtp_pressure,
		const Numeric &	rtp_temperature,
		const Numeric &	H,
		const Numeric &	sparse_lim,
		const Zeeman::Polarization	zeeman_polarization,
		const Options::LblSpeedup	speedup_type,
		const bool	robust
	)

Compute the absorption of an absorption band.

For a single line the line shape is

\[ F_i = S_{z_i} S_{n_i} S_i LM_i F_i( \cdots ), \]

where \( S_{z_i} \) is the Zeeman scaling, \( S_{n_i} \) is the normalization scaling, \( S_i \) is the line strength scaling, \( LM_i \) is the line mixing scaling, and \( F_i( \cdots )\) is the shape.

and the derivatives are

\[ \frac{\partial F_l}{\partial t} = S_{z_i} \left( \frac{\partial S_{n_i}}{\partial t} S_i LM_i F_i( \cdots ) + S_{n_i} \frac{\partial S_i}{\partial t} LM_i F_i( \cdots ) + S_{n_i} S_i \frac{\partial LM_i}{\partial t} F_i( \cdots ) + S_{n_i} S_i LM_i \frac{\partial F_i( \cdots )}{\partial t} \right), \]

where \( t \) is some arbitrary variable.

Parameters

[in,out]	com	Main computations variable. Should be initialized and may have been used before.
[in,out]	sparse_com	Sparse computations variable. Should be initialized and may have been used before.
[in]	band	The absorption band
[in]	jacobian_quantities	As WSV
[in]	rtp_nlte	As WSV
[in]	vmrs	The volume mixing ratios of the band's line shape model
[in]	self_tag	The species tag from abs_species this band belongs to (only used for derivatives)
[in]	self_vmr	The volume mixing of the band's species.
[in]	isot_ratio	The sotopologue ratio of the band's species
[in]	rtp_pressure	As WSV
[in]	rtp_temperature	As WSV
[in]	H	The magnetic field strength in Teslas
[in]	sparse_lim	The frequency separating the sparse and dense frequency grid calculations
[in]	zeeman_polarization	Type of Zeeman polarization
[in]	speedup_type	Type of sparse grid interactions
[in]	robust	If true, a band with line mixing parameters guarantees non-negative output by allocating its own com and sparse_com for local calculations

Definition at line 3549 of file lineshape.cc.

References ARTS_ASSERT, dnumber_density_dt(), dsingle_partition_function_dT(), LineShape::ComputeData::enforce_positive_absorption(), line_loop(), number_density(), Absorption::relaxationtype_relmat(), single_partition_function(), and vmrs().

Referenced by propmat_clearskyAddLines(), and zeeman_on_the_fly().

◆ cutoff_frequency_loop()

void LineShape::cutoff_frequency_loop	(	ComputeValues &	com,
		Calculator &	ls,
		Calculator &	ls_mirr,
		Normalizer &	ls_norm,
		const Calculator &	ls_cut,
		const Calculator &	ls_mirr_cut,
		const IntensityCalculator &	ls_str,
		const ArrayOfDerivatives &	derivs,
		const Complex	LM,
		const Numeric &	T,
		const Numeric &	dfdH,
		const Numeric &	Sz,
		const Species::Species	self_species
	)

Cutoff frequency loop of the line shape call.

This simply adds to the four output vectors/matrices for each frequency grid.

The equation solved is the inner part of

\[ F(f) = \sum_i S_{lm} S_n(f) S_z S_i \left[F_i\left(f\right) + F^M_i\left(f\right) - F_i\left(f_c\right) - F^M_i\left(f_c\right)\right], \]

where \( f \) is the frequency, \( i \) is the line index, \( S_{lm} \) is the line mixing scaling, \( S_n(f) \) is the line normalization at \( f \), \( S_z \) is the Zeeman line strength scaling, \( S_i \) is the line strength, \( F_i\left(f\right) \) is the line shape at \( f \), \( F^M_i\left(f\right) \) is the mirrored line shape at \( f \), and \( f_c \) is the cutoff frequency.

Each of \( S_n \), \( S_i \), \( F_i\left(f\right) \), and \( F^M_i\left(f\right) \) are setup to work as functional classes. They each define a set of possible derivatives and these possible derivatives are used to setup the chain rules required to computed \( \partial F(f) / \partial x \). Also, \( S_i \) is setup so to return the NLTE ratios required for computing

\[ N(f) = \sum_i S_{lm} S_n(f) S_z N_i \left[F_i\left(f\right) + F^M_i\left(f\right) - F_i\left(f_c\right) - F^M_i\left(f_c\right)\right], \]

with the same rules applied to \( \partial N(f) / \partial x \) as on \( \partial F(f) / \partial x \).

Note that even though not directly implied by this notation, most of the variables used in these two equations depends on some line parameters. Also note that the idea is to add full cross-section at once so as to limit the number of allocations in nested runs, so the calculations must happen in the inner most loop.

This function is not possible to run on multiple cores. Such parallelisms must happen at a much higher level.

Parameters

[in]	jacobian_quantities	As WSV
[in]	T	The atmospheric temperature
[in]	do_nlte	Flag for whether or not NLTE will be computed
[in]	LM	The line mixing scaling. \( S_{lm} \)
[in]	ls_str	The line strength calculator. \( S_i \)
[in,out]	ls_norm	The normalization calculator. \( S_n \)
[in]	derivs	A list of pre-computed derivative values and keys
[in,out]	F	The cross-section. \( F \)
[in,out]	dF	The cross-section's derivatives. \( \partial F / \partial x \)
[in,out]	N	The cross-section ratio of the NLTE source. \( N \)
[in,out]	dN	The cross-section ratio of the NLTE source's derivatives. \( \partial N / \partial x \)
[in]	f_grid	The frequency grid. \( \left[ f_0, \cdots, f_n \right] \)
[in]	dfdH	The derivative of the change of frequency w.r.t. magnetic field strength
[in]	Sz	The relative Zeeman strength. \( S_z \)
[in]	ls	The line shape calculator. \( F_i \)
[in]	ls_mirr	The mirrored line shape calculator. \( F^M_i \)

Definition at line 2663 of file lineshape.cc.

References CutInternalDerivatives, d, D0, D2, ETA, FVC, G0, G2, InternalDerivativesG, InternalDerivativesY, and mirroredOutput().

Referenced by cutoff_loop(), cutoff_loop_sparse_linear(), and cutoff_loop_sparse_triple().

◆ cutoff_loop()

void LineShape::cutoff_loop	(	ComputeData &	com,
		Normalizer	ls_norm,
		const IntensityCalculator	ls_str,
		const AbsorptionLines &	band,
		const ArrayOfDerivatives &	derivs,
		const Output	X,
		const Numeric &	T,
		const Numeric &	H,
		const Numeric &	DC,
		const Index	i,
		const Zeeman::Polarization	zeeman_polarization
	)

Cutoff considerations of the line shape.

This function takes care of setting up cutoff and line shape considerations for the frequency loop function it wraps. Internally, the cutoff is calculated from the band information and a view of the correct data is sent on.

The Zeeman effect is also considered internally if applicable (or ignored otherwise)

This function is not possible to run on multiple cores. Such parallelisms must happen at a much higher level.

Parameters

[in,out]	F	The cross-section. \( F \)
[in,out]	dF	The cross-section's derivatives. \( \partial F / \partial x \)
[in,out]	N	The cross-section ratio of the NLTE source. \( N \)
[in,out]	dN	The cross-section ratio of the NLTE source's derivatives. \( \partial N / \partial x \)
[in]	f_grid	The frequency grid. \( \left[ f_0, \cdots, f_n \right] \)
[in]	band	The absorption band
[in]	jacobian_quantities	As WSV
[in]	T	The atmospheric temperature
[in]	do_nlte	Flag for whether or not NLTE will be computed
[in]	H	The magnetic field magnitude
[in]	do_zeeman	Flag for whether this is part of some Zeeman calculations
[in]	zeeman_polarization	The type of Zeeman polarization to consider (if any)
[in]	f_mean	The mean frequency of the absorption band
[in]	DC	The Doppler broadening constant of the band
[in]	i	The line index
[in]	X	The line shape model parameters of the atmosphere
[in]	LM	The line mixing scaling. \( S_{lm} \)
[in]	ls_str	The line strength calculator. \( S_i \)
[in]	ls_norm	The normalization calculator. \( S_n \)
[in]	derivs	A list of pre-computed derivative values and keys

Definition at line 3290 of file lineshape.cc.

References cutoff_frequency_loop(), frequency_loop(), and limited_range().

Referenced by line_loop().

◆ cutoff_loop_sparse_linear()

void LineShape::cutoff_loop_sparse_linear	(	ComputeData &	com,
		ComputeData &	sparse_com,
		Normalizer	ls_norm,
		const IntensityCalculator	ls_str,
		const AbsorptionLines &	band,
		const ArrayOfDerivatives &	derivs,
		const Output	X,
		const Numeric &	T,
		const Numeric &	H,
		const Numeric &	sparse_lim,
		const Numeric &	DC,
		const Index	i,
		const Zeeman::Polarization	zeeman_polarization
	)

Cutoff considerations of the line shape.

This function takes care of setting up cutoff and line shape considerations for the frequency loop function it wraps. Internally, the cutoff is calculated from the band information and a view of the correct data is sent on.

The Zeeman effect is also considered internally if applicable (or ignored otherwise)

This function is not possible to run on multiple cores. Such parallelisms must happen at a much higher level.

Parameters

[in,out]	F	The cross-section. \( F \)
[in,out]	dF	The cross-section's derivatives. \( \partial F / \partial x \)
[in,out]	N	The cross-section ratio of the NLTE source. \( N \)
[in,out]	dN	The cross-section ratio of the NLTE source's derivatives. \( \partial N / \partial x \)
[in]	f_grid	The frequency grid. \( \left[ f_0, \cdots, f_n \right] \)
[in]	band	The absorption band
[in]	jacobian_quantities	As WSV
[in]	T	The atmospheric temperature
[in]	do_nlte	Flag for whether or not NLTE will be computed
[in]	H	The magnetic field magnitude
[in]	do_zeeman	Flag for whether this is part of some Zeeman calculations
[in]	zeeman_polarization	The type of Zeeman polarization to consider (if any)
[in]	f_mean	The mean frequency of the absorption band
[in]	DC	The Doppler broadening constant of the band
[in]	i	The line index
[in]	X	The line shape model parameters of the atmosphere
[in]	LM	The line mixing scaling. \( S_{lm} \)
[in]	ls_str	The line strength calculator. \( S_i \)
[in]	ls_norm	The normalization calculator. \( S_n \)
[in]	derivs	A list of pre-computed derivative values and keys

Definition at line 3084 of file lineshape.cc.

References cutoff_frequency_loop(), frequency_loop(), and linear_sparse_limited_range().

Referenced by line_loop().

◆ cutoff_loop_sparse_triple()

void LineShape::cutoff_loop_sparse_triple	(	ComputeData &	com,
		ComputeData &	sparse_com,
		Normalizer	ls_norm,
		const IntensityCalculator	ls_str,
		const AbsorptionLines &	band,
		const ArrayOfDerivatives &	derivs,
		const Output	X,
		const Numeric &	T,
		const Numeric &	H,
		const Numeric &	sparse_lim,
		const Numeric &	DC,
		const Index	i,
		const Zeeman::Polarization	zeeman_polarization
	)

Definition at line 3168 of file lineshape.cc.

References cutoff_frequency_loop(), frequency_loop(), and quad_sparse_limited_range().

Referenced by line_loop().

◆ differenceOutput()

constexpr Output LineShape::differenceOutput	(	Output	y,
		Output	x
	)

constexprnoexcept

Diff of two output.

Definition at line 567 of file lineshapemodel.h.

References LineShape::Output::G0.

◆ ENUMCLASS() [1/2]

LineShape::ENUMCLASS	(	TemperatureModel	,
		char	,
		None	,
		T0	,
		T1	,
		T2	,
		T3	,
		T4	,
		T5	,
		LM_AER	,
		DPL	,
		POLY
	)

Temperature models.

Each input here should correspond to a method of how to compute the variable given the coefficients and Interpolation data available to SingleSpeciesModel

FIXME: The python API breaks if this is a char type even though it can be???? List of possible shape variables

Should correspond to strings in AllLineShapeVars()

◆ ENUMCLASS() [2/2]

LineShape::ENUMCLASS	(	Type	,
		char	,
		DP	,
		LP	,
		VP	,
		SDVP	,
		HTP	,
		SplitLP	,
		SplitVP	,
		SplitSDVP	,
		SplitHTP
	)		const

Type of line shape to compute.

Turns selected Type into a human readable string

This function takes the input Type and returns it as a string

Parameters

[in] type The Type

Returns: std::string_view of Type Is the Type independent per broadener?

If it is, the line shape is computed as F_1(...) + F_2(...) + /// + F_N(...) If it is not, then it is computed as F(avg(..._1 + ..._2 + /// + ..._N))

Where F is the lineshape, the subindex is the line parameter (such as pressure broadening) and avg(///) is an averaging function

Parameters

[in] type The LineShape::Type

Returns: true If we compute the line shape per broadener and then sum it up; false If we average line parameters for all broadeners and then compute the line shape

Definition at line 44 of file lineshapemodel.h.

◆ frequency_loop()

void LineShape::frequency_loop	(	ComputeValues &	com,
		Calculator &	ls,
		Calculator &	ls_mirr,
		Normalizer &	ls_norm,
		const IntensityCalculator &	ls_str,
		const ArrayOfDerivatives &	derivs,
		const Complex	LM,
		const Numeric &	T,
		const Numeric &	dfdH,
		const Numeric &	Sz,
		const Species::Species	self_species
	)

Frequency loop of the line shape call.

This simply adds to the four output vectors/matrices for each frequency grid.

The equation solved is the inner part of

\[ F(f) = \sum_i S_{lm} S_n(f) S_z S_i \left[F_i\left(f\right) + F^M_i\left(f\right)\right], \]

where \( f \) is the frequency, \( i \) is the line index, \( S_{lm} \) is the line mixing scaling, \( S_n(f) \) is the line normalization at \( f \), \( S_z \) is the Zeeman line strength scaling, \( S_i \) is the line strength, \( F_i\left(f\right) \) is the line shape at \( f \), and \( F^M_i\left(f\right) \) is the mirrored line shape at \( f \).

Each of \( S_n \), \( S_i \), \( F_i\left(f\right) \), and \( F^M_i\left(f\right) \) are setup to work as functional classes. They each define a set of possible derivatives and these possible derivatives are used to setup the chain rules required to computed \( \partial F(f) / \partial x \). Also, \( S_i \) is setup so to return the NLTE ratios required for computing

\[ N(f) = \sum_i S_{lm} S_n(f) S_z N_i \left[F_i\left(f\right) + F^M_i\left(f\right)\right], \]

with the same rules applied to \( \partial N(f) / \partial x \) as on \( \partial F(f) / \partial x \).

Note that even though not directly implied by this notation, most of the variables used in these two equations depends on some line parameters. Also note that the idea is to add full cross-section at once so as to limit the number of allocations in nested runs, so the calculations must happen in the inner most loop.

This function is not possible to run on multiple cores. Such parallelisms must happen at a much higher level.

Parameters

[in]	jacobian_quantities	As WSV
[in]	T	The atmospheric temperature
[in]	do_nlte	Flag for whether or not NLTE will be computed
[in]	LM	The line mixing scaling. \( S_{lm} \)
[in]	ls_str	The line strength calculator. \( S_i \)
[in,out]	ls_norm	The normalization calculator. \( S_n \)
[in]	derivs	A list of pre-computed derivative values and keys
[in,out]	F	The cross-section. \( F \)
[in,out]	dF	The cross-section's derivatives. \( \partial F / \partial x \)
[in,out]	N	The cross-section ratio of the NLTE source. \( N \)
[in,out]	dN	The cross-section ratio of the NLTE source's derivatives. \( \partial N / \partial x \)
[in]	f_grid	The frequency grid. \( \left[ f_0, \cdots, f_n \right] \)
[in]	dfdH	The derivative of the change of frequency w.r.t. magnetic field strength
[in]	Sz	The relative Zeeman strength. \( S_z \)
[in]	ls	The line shape calculator. \( F_i \)
[in]	ls_mirr	The mirrored line shape calculator. \( F^M_i \)

Definition at line 2890 of file lineshape.cc.

References d, D0, D2, ETA, FVC, G0, G2, InternalDerivatives, InternalDerivativesG, InternalDerivativesY, and mirroredOutput().

Referenced by cutoff_loop(), cutoff_loop_sparse_linear(), and cutoff_loop_sparse_triple().

◆ from_artscat4()

std::istream & LineShape::from_artscat4	(	std::istream &	is,
		Type &	type,
		bool &	self,
		bool &	bath,
		Model &	m,
		ArrayOfSpecies &	species,
		const QuantumIdentifier &	qid
	)

Definition at line 64 of file lineshapemodel.cc.

References ARTS_USER_ERROR_IF, Quantum::Number::GlobalState::Isotopologue(), LineShape::Model::mdata, LineShape::Model::Remove(), Quantum::Number::GlobalState::Species(), and v.

Referenced by Absorption::ReadFromArtscat4Stream().

◆ from_linefunctiondata()

std::istream & LineShape::from_linefunctiondata	(	std::istream &	data,
		Type &	type,
		bool &	self,
		bool &	bath,
		Model &	m,
		ArrayOfSpecies &	species
	)

Definition at line 124 of file lineshapemodel.cc.

References ARTS_USER_ERROR, ARTS_USER_ERROR_IF, bath_broadening, check_enum_error(), good_enum(), LineShape::Model::mdata, self_broadening, and toString().

Referenced by Absorption::ReadFromArtscat5Stream().

◆ from_linemixingdata()

std::istream & LineShape::from_linemixingdata	(	std::istream &	data,
		LineShape::Model &	lsc
	)

Legacy reading of old deprecated LineMixingData class.

Definition at line 260 of file lineshapemodel.cc.

Referenced by Absorption::ReadFromArtscat5Stream().

◆ from_pressurebroadeningdata()

std::istream & LineShape::from_pressurebroadeningdata	(	std::istream &	data,
		LineShape::Type &	type,
		bool &	self,
		bool &	bath,
		Model &	m,
		ArrayOfSpecies &	species,
		const QuantumIdentifier &	qid
	)

Legacy reading of old deprecated PressureBroadeningData class.

Definition at line 229 of file lineshapemodel.cc.

References Quantum::Number::GlobalState::Species().

Referenced by Absorption::ReadFromArtscat5Stream().

◆ good_linear_sparse_f_grid()

bool LineShape::good_linear_sparse_f_grid	(	const Vector &	f_grid_dense,
		const Vector &	f_grid_sparse
	)

noexcept

Definition at line 3662 of file lineshape.cc.

Referenced by sparse_f_gridFromFrequencyGrid().

◆ hitran_model()

Model LineShape::hitran_model	(	Numeric	sgam,
		Numeric	nself,
		Numeric	agam,
		Numeric	nair,
		Numeric	psf
	)

Definition at line 1096 of file lineshapemodel.cc.

References LineShape::Model::Data().

Referenced by Absorption::ReadFromHitran2001Stream(), Absorption::ReadFromHitran2004Stream(), Absorption::ReadFromHitranOnlineStream(), and Absorption::ReadFromLBLRTMStream().

◆ lblrtm_model()

Model LineShape::lblrtm_model	(	Numeric	sgam,
		Numeric	nself,
		Numeric	agam,
		Numeric	nair,
		Numeric	psf,
		std::array< Numeric, 12 >	aer_interp
	)

Definition at line 1112 of file lineshapemodel.cc.

References LineShape::Model::Data().

Referenced by Absorption::ReadFromLBLRTMStream().

◆ limited_range()

CutoffRange LineShape::limited_range	(	const Numeric	fl,
		const Numeric	fu,
		const Vector &	f_grid
	)

Gets the start and size of a range such that.

\[ fl \leq f_grid[i] \leq fu \]

for i such that all fl <= f_grid[Range(out.first, out.second, 1)] <= fu

Parameters

[in]	fl	Lower frequency limit
[in]	fu	Upper frequency limit
[in]	f_grid	As WSV, must be sorted

Returns: out so that the Range above can be formed

Definition at line 2031 of file lineshape.cc.

References ARTS_ASSERT.

Referenced by cutoff_loop().

◆ line_loop()

void LineShape::line_loop	(	ComputeData &	com,
		ComputeData &	sparse_com,
		const AbsorptionLines &	band,
		const ArrayOfRetrievalQuantity &	jacobian_quantities,
		const EnergyLevelMap &	nlte,
		const Vector &	vmrs,
		const ArrayOfSpeciesTag &	self_tag,
		const Numeric &	P,
		const Numeric &	T,
		const Numeric &	H,
		const Numeric &	sparse_lim,
		const Numeric	QT,
		const Numeric	QT0,
		const Numeric	dQTdT,
		const Numeric	r,
		const Numeric	drdSELFVMR,
		const Numeric	drdT,
		const Zeeman::Polarization	zeeman_polarization,
		const Options::LblSpeedup	speedup_type
	)

Loop all the lines of the band.

This function is not possible to run on multiple cores. Such parallelisms must happen at a much higher level.

Parameters

[in,out]	F	The cross-section. \( F \)
[in,out]	dF	The cross-section's derivatives. \( \partial F / \partial x \)
[in,out]	N	The cross-section ratio of the NLTE source. \( N \)
[in,out]	dN	The cross-section ratio of the NLTE source's derivatives. \( \partial N / \partial x \)
[in]	f_grid	The frequency grid. \( \left[ f_0, \cdots, f_n \right] \)
[in]	band	The absorption band
[in]	jacobian_quantities	As WSV
[in]	nlte	A map of NLTE data
[in]	vmrs	The band volume mixing ratio
[in]	isot_ratio	The isotopic ratio of the isotopologue
[in]	P	The atmospheric pressure
[in]	T	The atmospheric temperature
[in]	do_nlte	Flag for whether or not NLTE will be computed
[in]	H	The magnetic field magnitude
[in]	do_zeeman	Flag for whether this is part of some Zeeman calculations
[in]	zeeman_polarization	The type of Zeeman polarization to consider (if any)
[in]	f_mean	The mean frequency of the absorption band
[in]	QT	The partition function at the temperature
[in]	QT0	The partition function at the reference temperature
[in]	dQTdT	The derivative of the partition function at the temperature wrt temperature

Definition at line 3369 of file lineshape.cc.

References LineShape::IntensityCalculator::adaptive_scaling(), cutoff_loop(), cutoff_loop_sparse_linear(), cutoff_loop_sparse_triple(), D0, D2, ETA, FVC, G, G0, G2, InternalDerivativesSetup, vmrs(), and Y.

Referenced by compute().

◆ linear_sparse_f_grid()

Vector LineShape::linear_sparse_f_grid	(	const Vector &	f_grid,
		const Numeric &	sparse_df
	)

Definition at line 3639 of file lineshape.cc.

References sparse_f_grid_red().

Referenced by sparse_f_gridFromFrequencyGrid().

◆ linear_sparse_limited_range()

SparseLimitRange LineShape::linear_sparse_limited_range	(	const Numeric	flc,
		const Numeric	fuc,
		const Numeric	fls,
		const Numeric	fus,
		const Vector &	f_grid,
		const Vector &	sparse_f_grid
	)

Definition at line 2048 of file lineshape.cc.

References ARTS_ASSERT.

Referenced by cutoff_loop_sparse_linear().

◆ mass()

Vector LineShape::mass	(	const ConstVectorView &	atmospheric_vmrs,
		const ArrayOfArrayOfSpeciesTag &	atmospheric_species,
		const ArrayOfSpecies &	lineshape_species,
		const SpeciesIsotopologueRatios &	ir
	)

Returns a mass vector for this model's main calculations.

Sets a vector that matches the mdata size of VMRs based on atmospheric species and VMRs

Only checks the first species in inner atmosphere

Renormalizes the values to unity. If this renormalization is impossible then it throws an error

Parameters

[in]	atmospheric_vmrs	VMRS in atmosphere
[in]	atmospheric_species	Species in atmosphere
[in]	lineshape_species	Species affecting lineshape

Definition at line 480 of file lineshapemodel.cc.

References ARTS_ASSERT, and Species::mean_mass().

Referenced by Absorption::Lines::BroadeningSpeciesMass().

◆ MetaData2ModelShape()

Model LineShape::MetaData2ModelShape ( const String & s )

Definition at line 555 of file lineshapemodel.cc.

References my_basic_string< charT >::nelem().

Referenced by xml_read_from_stream().

◆ mirroredOutput()

constexpr Output LineShape::mirroredOutput ( Output x )

constexprnoexcept

Output to be used by mirroring calls.

Definition at line 543 of file lineshapemodel.h.

References LineShape::Output::G0.

Referenced by LineShape::Calculator::Calculator(), cutoff_frequency_loop(), and frequency_loop().

◆ ModelMetaDataArray()

ArrayOfString LineShape::ModelMetaDataArray	(	const LineShape::Model &	m,
		const bool	self,
		const ArrayOfSpecies &	sts,
		const Numeric	T0
	)

Definition at line 640 of file lineshapemodel.cc.

References LineShape::Model::Data(), modelparameters2metadata(), Array< base >::nelem(), and self_broadening.

Referenced by Absorption::Lines::MetaData().

◆ modelparameterEmpty()

constexpr bool LineShape::modelparameterEmpty ( const ModelParameters mp )

constexprnoexcept

Definition at line 328 of file lineshapemodel.h.

Referenced by abs_linesEmptyBroadeningParameters(), Absorption::Lines::MakeLineShapeModelCommon(), and LineShape::SingleSpeciesModel::MatchTypes().

◆ modelparameterFirstExponent()

constexpr Numeric LineShape::modelparameterFirstExponent ( const ModelParameters mp )

constexprnoexcept

Definition at line 356 of file lineshapemodel.h.

◆ modelparameterGetEmpty()

constexpr ModelParameters LineShape::modelparameterGetEmpty ( const TemperatureModel t )

constexprnoexcept

Definition at line 300 of file lineshapemodel.h.

Referenced by Absorption::Lines::MakeLineShapeModelCommon().

◆ modelparameters2metadata()

String LineShape::modelparameters2metadata	(	const ModelParameters	mp,
		const Numeric	T0
	)

Definition at line 594 of file lineshapemodel.cc.

References LineShape::ModelParameters::type, LineShape::ModelParameters::X0, LineShape::ModelParameters::X1, LineShape::ModelParameters::X2, and LineShape::ModelParameters::X3.

Referenced by ModelMetaDataArray().

◆ ModelShape2MetaData()

String LineShape::ModelShape2MetaData ( const Model & m )

Definition at line 536 of file lineshapemodel.cc.

References LineShape::Model::Data(), and toString().

Referenced by Absorption::Lines::LineShapeMetaData().

◆ negativeOutput()

constexpr Output LineShape::negativeOutput ( Output x )

constexprnoexcept

Output turned negative.

Definition at line 548 of file lineshapemodel.h.

References LineShape::Output::G0.

◆ operator<<() [1/4]

std::ostream & LineShape::operator<<	(	std::ostream &	os,
		const Model &	m
	)

Definition at line 526 of file lineshapemodel.cc.

◆ operator<<() [2/4]

std::ostream & LineShape::operator<<	(	std::ostream &	os,
		const ModelParameters &	mp
	)

Definition at line 689 of file lineshapemodel.cc.

◆ operator<<() [3/4]

std::ostream & LineShape::operator<<	(	std::ostream &	os,
		const SingleSpeciesModel &	ssm
	)

Definition at line 1039 of file lineshapemodel.cc.

◆ operator<<() [4/4]

std::ostream & LineShape::operator<<	(	std::ostream &	os,
		Output	x
	)

Definition at line 1053 of file lineshapemodel.cc.

◆ operator>>() [1/3]

std::istream & LineShape::operator>>	(	std::istream &	is,
		Model &	m
	)

Definition at line 531 of file lineshapemodel.cc.

◆ operator>>() [2/3]

std::istream & LineShape::operator>>	(	std::istream &	is,
		ModelParameters &	mp
	)

Definition at line 695 of file lineshapemodel.cc.

◆ operator>>() [3/3]

std::istream & LineShape::operator>>	(	std::istream &	is,
		SingleSpeciesModel &	ssm
	)

Definition at line 1046 of file lineshapemodel.cc.

◆ quad_sparse_limited_range()

SparseLimitRange LineShape::quad_sparse_limited_range	(	const Numeric	flc,
		const Numeric	fuc,
		const Numeric	fls,
		const Numeric	fus,
		const Vector &	f_grid,
		const Vector &	sparse_f_grid
	)

Definition at line 2106 of file lineshape.cc.

References ARTS_ASSERT.

Referenced by cutoff_loop_sparse_triple().

◆ si2cgs()

constexpr Output LineShape::si2cgs ( Output x )

constexprnoexcept

Output turned from SI to CGS units.

Definition at line 553 of file lineshapemodel.h.

References Conversion::freq2kaycm().

◆ SingleModelParameter()

Numeric & LineShape::SingleModelParameter	(	ModelParameters &	mp,
		const String &	type
	)

Get a coefficient from ModelParameters by name.

Will throw a runtime_error if type is bad

Parameters

[in]	mp	The model parameters
[in]	type	The coefficient by name

Returns: a reference to the coefficient

Definition at line 674 of file lineshapemodel.cc.

References ARTS_USER_ERROR, LineShape::ModelParameters::X0, LineShape::ModelParameters::X1, LineShape::ModelParameters::X2, and LineShape::ModelParameters::X3.

◆ sparse_f_grid_red()

Index LineShape::sparse_f_grid_red	(	const Vector &	f_grid,
		const Numeric &	sparse_df
	)

noexcept

Definition at line 3630 of file lineshape.cc.

Referenced by linear_sparse_f_grid(), and triple_sparse_f_grid().

◆ triple_sparse_f_grid()

Vector LineShape::triple_sparse_f_grid	(	const Vector &	f_grid,
		const Numeric &	sparse_df
	)

noexcept

Definition at line 3677 of file lineshape.cc.

References sparse_f_grid_red().

Referenced by sparse_f_gridFromFrequencyGrid().

◆ vmrs()

Vector LineShape::vmrs	(	const ConstVectorView &	atmospheric_vmrs,
		const ArrayOfArrayOfSpeciesTag &	atmospheric_species,
		const ArrayOfSpecies &	lineshape_species
	)

Returns a VMR vector for this model's main calculations.

Sets a vector that matches the mdata size of VMRs based on atmospheric species and VMRs

Only checks the first species in inner atmosphere

Renormalizes the values to unity. If this renormalization is impossible then it throws an error

Parameters

[in]	atmospheric_vmrs	VMRS in atmosphere
[in]	atmospheric_species	Species in atmosphere
[in]	lineshape_species	Species affecting lineshape

Definition at line 438 of file lineshapemodel.cc.

References ARTS_ASSERT.

Referenced by Absorption::Lines::BroadeningSpeciesVMR(), compute(), and line_loop().

Variable Documentation

◆ bath_broadening

constexpr std::string_view LineShape::bath_broadening = "AIR"

inlineconstexpr

Name for bath broadening in printing and reading user input.

Definition at line 617 of file lineshapemodel.h.

Referenced by abs_linesLineShapeModelParametersMatchingLines(), ArtsXMLTag::add_attribute(), from_linefunctiondata(), ArtsXMLTag::get_attribute_value(), and jacobianAddShapeCatalogParameter().

◆ char

LineShape::char

Definition at line 137 of file lineshapemodel.h.

◆ D0

◆ D2

◆ ETA

◆ FVC

◆ G

LineShape::G

Definition at line 145 of file lineshapemodel.h.

Referenced by LineShape::SingleSpeciesModel::at(), LineShape::SingleSpeciesModel::dT(), LineShape::SingleSpeciesModel::dT0(), LineShape::SingleSpeciesModel::dX(), LineShape::SingleSpeciesModel::Get(), line_loop(), and LineShape::SingleSpeciesModel::Set().

◆ G0

◆ G2

◆ nVars

constexpr Index LineShape::nVars = Index(Variable::FINAL)

constexpr

Current max number of line shape variables.

Definition at line 385 of file lineshapemodel.h.

Referenced by abs_linesEmptyBroadeningParameters(), LineShape::SingleSpeciesModel::at(), LineShape::SingleSpeciesModel::dT(), LineShape::SingleSpeciesModel::dT0(), LineShape::SingleSpeciesModel::dX(), Absorption::Lines::MakeLineShapeModelCommon(), LineShape::SingleSpeciesModel::MatchTypes(), and LineShape::Output::operator-=().

◆ self_broadening

constexpr std::string_view LineShape::self_broadening = "SELF"

inlineconstexpr

Name for self broadening in printing and reading user input.

Definition at line 620 of file lineshapemodel.h.

Referenced by abs_linesLineShapeModelParametersMatchingLines(), ArtsXMLTag::add_attribute(), from_linefunctiondata(), ArtsXMLTag::get_attribute_value(), jacobianAddShapeCatalogParameter(), and ModelMetaDataArray().

◆ Y

LineShape::Y

Definition at line 144 of file lineshapemodel.h.

Referenced by LineShape::SingleSpeciesModel::at(), LineShape::SingleSpeciesModel::dT(), LineShape::SingleSpeciesModel::dT0(), LineShape::SingleSpeciesModel::dX(), LineShape::SingleSpeciesModel::Get(), line_loop(), and LineShape::SingleSpeciesModel::Set().

Namespaces

Classes

Typedefs

Functions

Variables

Detailed Description

Typedef Documentation

◆ ArrayOfDerivatives

Function Documentation

◆ abs_squared()

◆ active_nelem()

◆ compute()

◆ cutoff_frequency_loop()

◆ cutoff_loop()

◆ cutoff_loop_sparse_linear()

◆ cutoff_loop_sparse_triple()

◆ differenceOutput()

◆ ENUMCLASS() [1/2]

◆ ENUMCLASS() [2/2]

◆ frequency_loop()

◆ from_artscat4()

◆ from_linefunctiondata()

◆ from_linemixingdata()

◆ from_pressurebroadeningdata()

◆ good_linear_sparse_f_grid()

◆ hitran_model()

◆ lblrtm_model()

◆ limited_range()

◆ line_loop()

◆ linear_sparse_f_grid()

◆ linear_sparse_limited_range()

◆ mass()

◆ MetaData2ModelShape()

◆ mirroredOutput()

◆ ModelMetaDataArray()

◆ modelparameterEmpty()

◆ modelparameterFirstExponent()

◆ modelparameterGetEmpty()

◆ modelparameters2metadata()

◆ ModelShape2MetaData()

◆ negativeOutput()

◆ operator<<() [1/4]

◆ operator<<() [2/4]

◆ operator<<() [3/4]

◆ operator<<() [4/4]

◆ operator>>() [1/3]

◆ operator>>() [2/3]

◆ operator>>() [3/3]

◆ quad_sparse_limited_range()

◆ si2cgs()

◆ SingleModelParameter()

◆ sparse_f_grid_red()

◆ triple_sparse_f_grid()

◆ vmrs()

Variable Documentation

◆ bath_broadening

◆ char

◆ D0

◆ D2

◆ ETA

◆ FVC

◆ G

◆ G0

◆ G2

◆ nVars

◆ self_broadening

◆ Y