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amespahdbidlsuite_mcfitted_spectrum__define.pro


Class to manage a spectrum fitted using the Monte Carlo approach.

Updated versions of the NASA Ames PAH IR Spectroscopic Database and more information can be found at: www.astrochemistry.org/pahdb.

Examples

Create and destroy an AmesPAHdbIDLSuite_MCFitted_Spectrum-instance:

IDL> mcfitted = OBJ_NEW('AmesPAHdbIDLSuite_MCFitted_Spectrum') IDL> mcfitted->Set,data IDL> mcfitted->Plot IDL> OBJ_DESTORY,mcfitted

Author information

Author

Dr. Christiaan Boersma

Copyright

BSD licensed

History

Changes:

09-19-2024 Use standard deviation in DESCRIPTION. Christiaan Boersma. 09-10-2024 Added GETAVERAGENUMBEROFCARBONATOMS. Christiaan Boersma. 08-28-2024 Trim trailing whitespace. Christiaan Boersma. 11-22-2023 Add GETTOLERANCE and GETITERATIONS. Christiaan Boersma. 11-17-2023 Add MEDIUM size bin to GETBREAKDOWN, GETCLASSES, and PLOT. Christiaan Boersma. 10-04-2023 Allow setting the SMALL threshold in PLOT through keyword-inheritance. Christiaan Boersma 04-15-2023 Add observation property. Christiaan Boersma. 11-23-2022 Add _overloads and add+propagate missing PAHdb-keyword in INIT and SET. Christiaan Boersma. 06-14-2022 Refactor lazy instantiation and keep track of function signatures Christiaan Boersma. 06-13-2022 Use lazy instantiation for getters. Christiaan Boersma. 05-03-2022 Remove extraneous plot in GETSIZEDISTRIBUTION. Refactor GETCHISQUARED, GETNORM, and GETRESIDUAL, making sure use of proper uncertainties. Christiaan Boersma. 04-28-2022 Use piecewise errors in DESCRIPTION and add filter. Christiaan Boersma. 04-25-2022 First version of the file. Christiaan Boersma.

Class description for AmesPAHdbIDLSuite_MCFitted_Spectrum

Inheritance

Properties

Properties in AmesPAHdbIDLSuite_MCFitted_Spectrum

Distribution init
Obj init
Observation init
PAHdb init
Type init

Routines

Routines from amespahdbidlsuite_mcfitted_spectrum__define.pro

AmesPAHdbIDLSuite_MCFitted_Spectrum::Description [, Str]

Output spectrum description.

AmesPAHdbIDLSuite_MCFitted_Spectrum::Plot [, DistributionSize=int] [, Size=int] [, Charge=int] [, Composition=int] [, Wavelength=int] [, Stick=int] [, Fill=int] [, Legend=int] [, Color=int] [, _EXTRA=struct]

Plot the fitted spectrum.

AmesPAHdbIDLSuite_MCFitted_Spectrum::Write [, Filename]

Write the fitted spectrum to file as an IPAC-table.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::Get()

Retrieves the AmesPAHdbIDLSuite_MCFitted_Spectrum representation in a structure.

AmesPAHdbIDLSuite_MCFitted_Spectrum::Set [, Struct] [, Type=string] [, Obj=obj-array] [, Distribution=string], Observation=Observation, PAHdb=PAHdb

Populates the AmesPAHdbIDLSuite_MCFitted_Spectrum-instance.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetResidual()

Retrieves the residual of the fit.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetFit()

Retrieves the total fit.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetSizeDistribution( [NBins=int] [, Min=float] [, Max=float])

Retrieves the PAH size distribution of the fitted PAHs.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetAverageNumberOfCarbonAtoms()

Retrieves the average number and standard deviation of carbon atoms of the fitted PAHs.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetBreakdown( [Small=int] [, Medium=int] [, Flux=int] [, Absolute=int])

Retrieves the breakdown of the fitted PAHs.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetClasses( [Small=int] [, Medium=int])

Retrieves the spectra of the different classes of the fitted PAHs.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetGrid()

Retrieves the abscissa values.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetNorm()

Retrieves the Norm of the fit

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetChiSquared()

Retrieves the Chi-squared of the fit.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetError()

Retrieves the error for the fit.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetMethod()

Retrieves the method used for the fit.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetTolerance()

Retrieves the tolerance used for the fit.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetIterations()

Retrieves the number of iterations needed for the fit.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetSamples()

Retrieves the number of samples.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetObservation()

Retrieves the observation.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetDistribution()

Retrieves the distribution used for permutating errors.

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::Init( [Struct] [, Type=string] [, Obj=obj-array] [, Distribution=string] [, Observation=string] [, PAHdb=pointer])

Create an AmesPAHdbIDLSuite_MCFitted_Spectrum-instance

Routine details

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::Description

INFORMATIVE

AmesPAHdbIDLSuite_MCFitted_Spectrum::Description [, Str]

Output spectrum description.

Parameters

Str out optional type=string array

Ouput to Str

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::Plot

PLOTTING

AmesPAHdbIDLSuite_MCFitted_Spectrum::Plot [, DistributionSize=int] [, Size=int] [, Charge=int] [, Composition=int] [, Wavelength=int] [, Stick=int] [, Fill=int] [, Legend=int] [, Color=int] [, _EXTRA=struct]

Plot the fitted spectrum.

Keywords

DistributionSize in optional type=int

Toggle to plot the PAH size distribution

Size in optional type=int

Toggle to plot the size breakdown of the fit

Charge in optional type=int

Toggle to plot the charge breakdown of the fit

Composition in optional type=int

Toggle to plot the compositional breakdown of the fit

Wavelength in optional type=int

Whether to set the abscissa units to wavelength

Stick in optional type=int

Whether to plot the spectrum as sticks

Fill in optional type=int

Whether to solid-fill the spectrum

Legend in optional type=int

Whether to show a legend

Color in optional type=int

Color to plot the spectrum with

_EXTRA in optional type=struct

Required for IDL's keyword-inheritance mechanism

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::Write

OUTPUT

AmesPAHdbIDLSuite_MCFitted_Spectrum::Write [, Filename]

Write the fitted spectrum to file as an IPAC-table.

Parameters

Filename in optional type=string

Output filename

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::Get

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::Get()

Retrieves the AmesPAHdbIDLSuite_MCFitted_Spectrum representation in a structure.

Return value

Structure

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::Set

SET/GET

AmesPAHdbIDLSuite_MCFitted_Spectrum::Set [, Struct] [, Type=string] [, Obj=obj-array] [, Distribution=string], Observation=Observation, PAHdb=PAHdb

Populates the AmesPAHdbIDLSuite_MCFitted_Spectrum-instance.

Parameters

Struct in optional type=struct

Data structure

Keywords

Type in optional type=string

Type of Data

Obj in optional type=obj-array

Array holding AmesPAHdbIDLSuiteFittedSpectrum instances

Distribution in optional type=string

Distribution used for permutating errors

Observation
PAHdb

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetResidual

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetResidual()

Retrieves the residual of the fit.

Return value

A n by four-element vector containing the mean, variance, skewness, and kurtosis

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetFit

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetFit()

Retrieves the total fit.

Return value

float array

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetSizeDistribution

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetSizeDistribution( [NBins=int] [, Min=float] [, Max=float])

Retrieves the PAH size distribution of the fitted PAHs.

Return value

A structure with the distribution as a four-element vectors containing the mean, variance, skewness, and kurtosis

Keywords

NBins in optional type=int

Set the number of bins to use, otherwise Rice's rule is used.

Min in optional type=float

Set the minimum size to consider.

Max in optional type=float

Set the maximum size to consider.

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetAverageNumberOfCarbonAtoms

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetAverageNumberOfCarbonAtoms()

Retrieves the average number and standard deviation of carbon atoms of the fitted PAHs.

Return value

double array

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetBreakdown

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetBreakdown( [Small=int] [, Medium=int] [, Flux=int] [, Absolute=int])

Retrieves the breakdown of the fitted PAHs.

Return value

A structure with four-element vectors containing the mean, variance, skewness, and kurtosis

Keywords

Small in optional type=int

Cut-off size for small PAHs, defaults to 50

Medium in optional type=int

Cut-off size for medium PAHs, defaults to 90

Flux in optional type=int

Whether to use the flux to determine the breakdown

Absolute in optional type=int

Whether to return the absolute breakdown, otherwise normalize

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetClasses

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetClasses( [Small=int] [, Medium=int])

Retrieves the spectra of the different classes of the fitted PAHs.

Return value

Structure

Keywords

Small in optional type=int

Cut-off size for small PAHs, defaults to 50

Medium in optional type=int

Cut-off size for medium PAHs, defaults to 90

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetGrid

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetGrid()

Retrieves the abscissa values.

Return value

double array (1D)

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetNorm

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetNorm()

Retrieves the Norm of the fit

Return value

A four-element vector containing the mean, variance, skewness, and kurtosis

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetChiSquared

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetChiSquared()

Retrieves the Chi-squared of the fit.

Return value

A four-element vector containing the mean, variance, skewness, and kurtosis

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetError

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetError()

Retrieves the error for the fit.

Return value

A four-element vector containing the mean, variance, skewness, and kurtosis

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetMethod

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetMethod()

Retrieves the method used for the fit.

Return value

string

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetTolerance

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetTolerance()

Retrieves the tolerance used for the fit.

Return value

double

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetIterations

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetIterations()

Retrieves the number of iterations needed for the fit.

Return value

long

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetSamples

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetSamples()

Retrieves the number of samples.

Return value

int

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetObservation

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetObservation()

Retrieves the observation.

Return value

float array

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::GetDistribution

SET/GET

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::GetDistribution()

Retrieves the distribution used for permutating errors.

Return value

string

top source AmesPAHdbIDLSuite_MCFitted_Spectrum::Init

CLASS

result = AmesPAHdbIDLSuite_MCFitted_Spectrum::Init( [Struct] [, Type=string] [, Obj=obj-array] [, Distribution=string] [, Observation=string] [, PAHdb=pointer])

Create an AmesPAHdbIDLSuite_MCFitted_Spectrum-instance

Return value

AmesPAHdbIDLSuite_MCFitted_Spectrum-instance

Parameters

Struct in optional type=struct

Data structure

Keywords

Type in optional type=string

Type of Data

Obj in optional type=obj-array

Array holding AmesPAHdbIDLSuiteFittedSpectrum instances

Distribution in optional type=string

Distribution used for permutating errors

Observation in optional type=string

Observation

PAHdb in optional type=pointer

Pointer to parsed database file

File attributes

Modification date: Fri Oct 24 12:51:07 2025
Lines: 549
Docformat: rst rst