src/

amespahdbidlsuite_spectrum__define.pro

Class to manage a spectrum.

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_Spectrum-instance:

 IDL> spectrum = OBJ_NEW('AmesPAHdbIDLSuite_Spectrum')
 IDL> spectrum->Set,data
 IDL> spectrum->Plot
 IDL> OBJ_DESTROY,spectrum

Author information

Author

Dr. Christiaan Boersma

Copyright

BSD licensed

History

Changes:

 04-18-2025
 Normalize b-vector in FIT. Christiaan Boersma.
 08-28-2024
 Do unit conversion already in MCFIT. Christiaan Boersma.
 08-25-2024
 Report when maximum number of iterations reached in FIT. Christiaan
 Boersma.
 04-09-2024
 Normalize matrix in FIT. Christiaan Boersma.
 11-22-2023
 Allow specifying the tolerance and maximum number of iterations to use for
 NNLS in FIT and MCFIT and pass to result. Christiaan Boersma.
 11-06-2023
 Add callback to FIT and NNLS for progress monitoring. Christiaan Boersma.
 10-19-2023
 Don't destroy created observation in MCFIT. Christiaan Boersma.
 04-15-2023
 Store unperturbed observation in MCFIT. Christiaan Boersma.
 07-08-2022
 Pass EXTERNAL_NNLS to FIT in MCFIT. Christiaan Boersma.
 05-18-2022
 Use HISTOGRAM speed-up in PLOT. Christiaan Boersma.
 04-28-2022
 Clean up OBSERVATION in MCFIT when internally generated.
 Christiaan Boersma.
 04-27-2022
 Added MCFIT and corrected small typos in description of FIT.
 Christiaan Boersma.
 08-17-2021
 Don't try and access pointer when it is not set in DESCRIPTION.
 Christiaan Boersma.
 05-03-2021
 Avoid potential issues when self.uids and self.data.uid don't have
 the same ordering. Christiaan Boersma.
 05-02-2021
 Added NOTICE-keyword to FIT. Christiaan Boersma.
 04-30-2021
 Refactored FIT to make use of matrix operation.
 Christiaan Boersma.
 09-19-2017
 Fixed !NULL value in return for FWHM in FIT.
 06-27-2016
 Added EXTERNAL_NNLS-keyword to FIT. Christiaan Boersma.
 03-23-2016
 Removed unnecessary declaration of 'weights' in FIT. Christiaan
 Boersma.
 03-18-2016
 Replaced [ ] with !NULL in NNLS to avoid compiler error for IDL
 version older than 8. Christiaan Boersma.
 11-05-2015
 Added REGRID. Christiaan Boersma.
 07-12-2015
 Added method to FIT. Christiaan Boersma.
 02-01-2015
 First version of the file. Christiaan Boersma.

Class description for AmesPAHdbIDLSuite_Spectrum

Inheritance

All ancestor classes: AmesPAHdbIDLSuite_Plot AmesPAHdbIDLSuite_Data IDL_Object

Subclasses: AmesPAHdbIDLSuite_Coadded_Spectrum AmesPAHdbIDLSuite_Fitted_Spectrum

Properties

Properties in AmesPAHdbIDLSuite_Spectrum

Data init
FWHM init
Grid init
Model init
PAHdb init
Profile init
Shift init
Type init
Uids init
Units init
Version init

Routines

Routines from amespahdbidlsuite_spectrum__define.pro

AmesPAHdbIDLSuite_Spectrum::Description [, Str]: Output spectrum description.
AmesPAHdbIDLSuite_Spectrum::Plot [, Wavelength=int] [, Stick=int] [, Fill=int] [, Oplot=int] [, Legend=int] [, Color=int] [, _EXTRA=struct]: Plot the spectrum.
AmesPAHdbIDLSuite_Spectrum::Write [, Filename]: Write the spectrum to file as an IPAC-table.
result = AmesPAHdbIDLSuite_Spectrum::Fit(observation [, error] [, TOLERANCE_NNLS=double] [, MAXITER_NNLS=long] [, /CALLBACK_NNLS] [, EXTERNAL_NNLS=int] [, Notice=int]): Perform a spectroscopic fit.
result = AmesPAHdbIDLSuite_Spectrum::MCFit(observation, error, samples [, TOLERANCE_NNLS=double] [, MAXITER_NNLS=long] [, EXTERNAL_NNLS=int] [, Uniform=int]): Perform spectroscopic fits using a Monte Carlo approach.
AmesPAHdbIDLSuite_Spectrum::Resample, grid: Resample the spectrum onto a provided grid.
result = AmesPAHdbIDLSuite_Spectrum::Coadd( [Weights=struct] [, Average=int]): Co-adds the spectra
result = AmesPAHdbIDLSuite_Spectrum::Get(): Retrieves the AmesPAHdbIDLSuite_Spectrum representation in a structure.
AmesPAHdbIDLSuite_Spectrum::Set [, Struct] [, Type=string] [, Version=string] [, Data=struct] [, PAHdb=pointer] [, Uids=long array (1D)] [, Model=string] [, Units=AmesPAHdb_Units_S struct] [, Shift=float] [, Grid=float array] [, Profile=string] [, FWHM=float]: Populates the AmesPAHdbIDLSuite_Spectrum-instance.
result = AmesPAHdbIDLSuite_Spectrum::GetGrid(): Retrieves the abscissa values.
result = AmesPAHdbIDLSuite_Spectrum::Init( [Struct] [, Type=string] [, Version=string] [, Data=struct] [, PAHdb=pointer] [, Uids=long array (1D)] [, Model=string] [, Units=AmesPAHdb_Units_S struct] [, Shift=float] [, Grid=float array] [, Profile=string] [, FWHM=float]): Create an AmesPAHdbIDLSuite_Spectrum-instance

Routine details

top source AmesPAHdbIDLSuite_Spectrum::Description

INFORMATIVE

AmesPAHdbIDLSuite_Spectrum::Description [, Str]

Output spectrum description.

Parameters

Str out optional type=string array

Ouput to Str

top source AmesPAHdbIDLSuite_Spectrum::Plot

PLOTTING

AmesPAHdbIDLSuite_Spectrum::Plot [, Wavelength=int] [, Stick=int] [, Fill=int] [, Oplot=int] [, Legend=int] [, Color=int] [, _EXTRA=struct]

Plot the spectrum.

Keywords

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

Oplot in optional type=int

Whether to draw over a previous plot

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_Spectrum::Write

OUTPUT

AmesPAHdbIDLSuite_Spectrum::Write [, Filename]

Write the spectrum to file as an IPAC-table.

Parameters

Filename in optional type=string

Output filename

top source AmesPAHdbIDLSuite_Spectrum::Fit

FITTING

result = AmesPAHdbIDLSuite_Spectrum::Fit(observation [, error] [, TOLERANCE_NNLS=double] [, MAXITER_NNLS=long] [, /CALLBACK_NNLS] [, EXTERNAL_NNLS=int] [, Notice=int])

Perform a spectroscopic fit.

Return value

AmesPAHdbIDLSuite_Fitted_Spectrum

Parameters

observation in required type=double array (1D) or AmesPAHdbIDLSuite_Observation

Observed spectrum

error in optional type=double array (1D)

Uncertainties associated with observation

Keywords

TOLERANCE_NNLS in optional type=double

Tollerance

MAXITER_NNLS in optional type=long

Maximum number of iterations

CALLBACK_NNLS in optional type=boolean

Callback

EXTERNAL_NNLS in optional type=int

Whether to use an externally defined NNLS-routine

Notice in optional type=int default=1

Whether to show notices

top source AmesPAHdbIDLSuite_Spectrum::MCFit

FITTING

result = AmesPAHdbIDLSuite_Spectrum::MCFit(observation, error, samples [, TOLERANCE_NNLS=double] [, MAXITER_NNLS=long] [, EXTERNAL_NNLS=int] [, Uniform=int])

Perform spectroscopic fits using a Monte Carlo approach.

Return value

AmesPAHdbIDLSuite_MCFitted_Spectrum

Parameters

observation in required type=double array (1D) or AmesPAHdbIDLSuite_Observation

Observed spectrum

error in required type=double array (1D)

Uncertainties associated with observation

samples in required type=int

Number of Monte Carlo samples

Keywords

TOLERANCE_NNLS in optional type=double

Tollerance

MAXITER_NNLS in optional type=long

Maximum number of iterations

EXTERNAL_NNLS in optional type=int

Whether to use an externally defined NNLS-routine.

Uniform in optional type=int

Whether to use a uniform rather than a normal distribution to permutate the errors.

top source AmesPAHdbIDLSuite_Spectrum::Resample

MANIPULATE

AmesPAHdbIDLSuite_Spectrum::Resample, grid

Resample the spectrum onto a provided grid.

Parameters

grid in required type=double array (1D)

The grid

top source AmesPAHdbIDLSuite_Spectrum::Coadd

CALCULATE

result = AmesPAHdbIDLSuite_Spectrum::Coadd( [Weights=struct] [, Average=int])

Co-adds the spectra

Return value

AmesPAHdb_Coadded_Spectrum

Keywords

Weights in optional type=struct

Use the provided weights when co-adding

Average in optional type=int

Take the average

top source AmesPAHdbIDLSuite_Spectrum::Get

SET/GET

result = AmesPAHdbIDLSuite_Spectrum::Get()

Retrieves the AmesPAHdbIDLSuite_Spectrum representation in a structure.

Return value

Structure

top source AmesPAHdbIDLSuite_Spectrum::Set

SET/GET

AmesPAHdbIDLSuite_Spectrum::Set [, Struct] [, Type=string] [, Version=string] [, Data=struct] [, PAHdb=pointer] [, Uids=long array (1D)] [, Model=string] [, Units=AmesPAHdb_Units_S struct] [, Shift=float] [, Grid=float array] [, Profile=string] [, FWHM=float]

Populates the AmesPAHdbIDLSuite_Spectrum-instance.

Parameters

Struct in optional type=struct

Data structure

Keywords

Type in optional type=string

Type of Data

Version in optional type=string

Versioning information

Data in optional type=struct

Data structure

PAHdb in optional type=pointer

Pointer to parsed database file

Uids in optional type=long array (1D)

UIDs in Data

Model in optional type=string

References

Units in optional type=AmesPAHdb_Units_S struct

Units

Shift in optional type=float

Shift

Grid in optional type=float array

Grid

Profile in optional type=string

Profile

FWHM in optional type=float

FWHM

top source AmesPAHdbIDLSuite_Spectrum::GetGrid

SET/GET

result = AmesPAHdbIDLSuite_Spectrum::GetGrid()

Retrieves the abscissa values.

Return value

double array (1D)

top source AmesPAHdbIDLSuite_Spectrum::Init

CLASS

result = AmesPAHdbIDLSuite_Spectrum::Init( [Struct] [, Type=string] [, Version=string] [, Data=struct] [, PAHdb=pointer] [, Uids=long array (1D)] [, Model=string] [, Units=AmesPAHdb_Units_S struct] [, Shift=float] [, Grid=float array] [, Profile=string] [, FWHM=float])

Create an AmesPAHdbIDLSuite_Spectrum-instance

Return value

AmesPAHdbIDLSuite_Spectrum-instance

Parameters

Struct in optional type=struct

Data structure

Keywords

Type in optional type=string

Type of Data

Version in optional type=string

Versioning information

Data in optional type=struct

Data structure

PAHdb in optional type=pointer

Pointer to parsed database file

Uids in optional type=long array (1D)

UIDs in Data

Model in optional type=string

References

Units in optional type=AmesPAHdb_Units_S struct

Units

Shift in optional type=float

Shift

Grid in optional type=float array

Grid

Profile in optional type=string

Profile

FWHM in optional type=float

FWHM

File attributes

Modification date:	Fri Oct 24 12:51:08 2025
Lines:	547
Docformat:	rst rst