Contains the lookup data for one isotopologue. More...

#include <absorption.h>

Collaboration diagram for IsotopologueRecord:

Public Types
enum	{ PF_FROMCOEFF, PF_FROMTEMP, PF_NOTHING }

Public Member Functions
	IsotopologueRecord ()
	Default constructor. More...

	IsotopologueRecord (const IsotopologueRecord &x)
	Copy constructor. More...

	IsotopologueRecord (const String &name, const Numeric &abundance, const Numeric &mass, const Index &mytrantag, const Index &hitrantag, const MakeArray< Index > &jpltags)
	Constructor that sets the values. More...

const String &	Name () const
	Isotopologue name. More...

const Numeric &	Abundance () const
	Normal abundance ( = isotopologue ratio). More...

const Numeric &	Mass () const
	Mass of the isotopologue. More...

const Index &	MytranTag () const
	MYTRAN2 tag numbers for all isotopologues. More...

const Index &	HitranTag () const
	HITRAN-96 tag numbers for all isotopologues. More...

const ArrayOfIndex &	JplTags () const
	JPL tag numbers for all isotopologues. More...

bool	isContinuum () const
	Check if isotopologue is actually a continuum. More...

void	SetPartitionFctCoeff (const ArrayOfNumeric &qcoeff, const Index &qcoefftype)

Numeric	CalculatePartitionFctRatio (Numeric reference_temperature, Numeric actual_temperature) const
	Calculate partition function ratio. More...

Private Member Functions
Numeric	CalculatePartitionFctAtTempFromCoeff (Numeric temperature) const

Numeric	CalculatePartitionFctAtTempFromData (Numeric temperature) const

Private Attributes
String	mname

Numeric	mabundance

Numeric	mmass

Index	mmytrantag

Index	mhitrantag

ArrayOfIndex	mjpltags

Vector	mqcoeff

Index	mqcoefftype

Vector	mqcoeffgrid

Index	mqcoeffinterporder

Detailed Description

Contains the lookup data for one isotopologue.

Author: Stefan Buehler

Definition at line 191 of file absorption.h.

Member Enumeration Documentation

◆ anonymous enum

anonymous enum

Enumerator
PF_FROMCOEFF
PF_FROMTEMP
PF_NOTHING

Definition at line 338 of file absorption.h.

Constructor & Destructor Documentation

◆ IsotopologueRecord() [1/3]

IsotopologueRecord::IsotopologueRecord ( )

inline

Default constructor.

Needed by make_array.

Definition at line 195 of file absorption.h.

◆ IsotopologueRecord() [2/3]

IsotopologueRecord::IsotopologueRecord ( const IsotopologueRecord & x )

inline

Copy constructor.

We need this, since operator= does not work correctly for Arrays. (Target Array has to be resized first.)

Definition at line 209 of file absorption.h.

◆ IsotopologueRecord() [3/3]

IsotopologueRecord::IsotopologueRecord	(	const String &	name,
		const Numeric &	abundance,
		const Numeric &	mass,
		const Index &	mytrantag,
		const Index &	hitrantag,
		const MakeArray< Index > &	jpltags
	)

inline

Constructor that sets the values.

Definition at line 223 of file absorption.h.

Member Function Documentation

◆ Abundance()

const Numeric& IsotopologueRecord::Abundance ( ) const

inline

Normal abundance ( = isotopologue ratio).

(Absolute number.)

Definition at line 257 of file absorption.h.

Referenced by fillSpeciesAuxDataWithIsotopologueRatiosFromSpeciesData(), and xml_write_to_stream().

◆ CalculatePartitionFctAtTempFromCoeff()

Numeric IsotopologueRecord::CalculatePartitionFctAtTempFromCoeff ( Numeric temperature ) const

private

Definition at line 56 of file absorption.cc.

References VectorView::begin(), VectorView::end(), and mqcoeff.

◆ CalculatePartitionFctAtTempFromData()

Numeric IsotopologueRecord::CalculatePartitionFctAtTempFromData ( Numeric temperature ) const

private

Definition at line 79 of file absorption.cc.

References gridpos_poly(), interp(), interpweights(), mqcoeff, mqcoeffgrid, and mqcoeffinterporder.

◆ CalculatePartitionFctRatio()

Numeric IsotopologueRecord::CalculatePartitionFctRatio	(	Numeric	reference_temperature,
		Numeric	actual_temperature
	)		const

inline

Calculate partition function ratio.

This computes the partition function ratio Q(Tref)/Q(T).

Unfortunately, we have to recalculate also Q(Tref) for each spectral line, because the reference temperatures can be different!

Parameters

reference_temperature	The reference temperature.
actual_temperature	The actual temperature.

Returns: The ratio.

Definition at line 295 of file absorption.h.

References LineshapeRecord::mname.

Referenced by xsec_species().

◆ HitranTag()

const Index& IsotopologueRecord::HitranTag ( ) const

inline

HITRAN-96 tag numbers for all isotopologues.

-1 means not included.

Definition at line 264 of file absorption.h.

Referenced by xml_write_to_stream().

◆ isContinuum()

bool IsotopologueRecord::isContinuum ( ) const

inline

Check if isotopologue is actually a continuum.

Returns: True if this is a continuum.

Definition at line 274 of file absorption.h.

References LineshapeRecord::mname.

◆ JplTags()

const ArrayOfIndex& IsotopologueRecord::JplTags ( ) const

inline

JPL tag numbers for all isotopologues.

Empty array means not included. There can be more than one JPL tag for an isotopologue species, because in JPL different vibrational states have different tags.

Definition at line 268 of file absorption.h.

Referenced by xml_write_to_stream().

◆ Mass()

const Numeric& IsotopologueRecord::Mass ( ) const

inline

Mass of the isotopologue.

(In unified atomic mass units u) If I understand this correctly this is the same as g/mol.

Definition at line 260 of file absorption.h.

Referenced by xml_write_to_stream(), and xsec_species().

◆ MytranTag()

const Index& IsotopologueRecord::MytranTag ( ) const

inline

MYTRAN2 tag numbers for all isotopologues.

-1 means not included.

Definition at line 262 of file absorption.h.

Referenced by xml_write_to_stream().

◆ Name()

const String& IsotopologueRecord::Name ( ) const

inline

Isotopologue name.

Definition at line 255 of file absorption.h.

References LineshapeRecord::mname.

Referenced by xml_write_to_stream(), and xsec_species().

◆ SetPartitionFctCoeff()

void IsotopologueRecord::SetPartitionFctCoeff	(	const ArrayOfNumeric &	qcoeff,
		const Index &	qcoefftype
	)

inline

Definition at line 276 of file absorption.h.

Member Data Documentation

◆ mabundance

Numeric IsotopologueRecord::mabundance

private

Definition at line 352 of file absorption.h.

◆ mhitrantag

Index IsotopologueRecord::mhitrantag

private

Definition at line 355 of file absorption.h.

◆ mjpltags

ArrayOfIndex IsotopologueRecord::mjpltags

private

Definition at line 356 of file absorption.h.

◆ mmass

Numeric IsotopologueRecord::mmass

private

Definition at line 353 of file absorption.h.

◆ mmytrantag

Index IsotopologueRecord::mmytrantag

private

Definition at line 354 of file absorption.h.

◆ mname

String IsotopologueRecord::mname

private

Definition at line 351 of file absorption.h.

◆ mqcoeff

Vector IsotopologueRecord::mqcoeff

private

Definition at line 357 of file absorption.h.

Referenced by CalculatePartitionFctAtTempFromCoeff(), and CalculatePartitionFctAtTempFromData().

◆ mqcoeffgrid

Vector IsotopologueRecord::mqcoeffgrid

private

Definition at line 359 of file absorption.h.

Referenced by CalculatePartitionFctAtTempFromData().

◆ mqcoeffinterporder

Index IsotopologueRecord::mqcoeffinterporder

private

Definition at line 360 of file absorption.h.

Referenced by CalculatePartitionFctAtTempFromData().

◆ mqcoefftype

Index IsotopologueRecord::mqcoefftype

private

Definition at line 358 of file absorption.h.

The documentation for this class was generated from the following files:

Public Types

Public Member Functions

Private Member Functions

Private Attributes

Detailed Description

Member Enumeration Documentation

◆ anonymous enum

Constructor & Destructor Documentation

◆ IsotopologueRecord() [1/3]

◆ IsotopologueRecord() [2/3]

◆ IsotopologueRecord() [3/3]

Member Function Documentation

◆ Abundance()

◆ CalculatePartitionFctAtTempFromCoeff()

◆ CalculatePartitionFctAtTempFromData()

◆ CalculatePartitionFctRatio()

◆ HitranTag()

◆ isContinuum()

◆ JplTags()

◆ Mass()

◆ MytranTag()

◆ Name()

◆ SetPartitionFctCoeff()

Member Data Documentation

◆ mabundance

◆ mhitrantag

◆ mjpltags

◆ mmass

◆ mmytrantag

◆ mname

◆ mqcoeff

◆ mqcoeffgrid

◆ mqcoeffinterporder

◆ mqcoefftype