src/

amespahdbidlsuite_transitions__define.pro

Class to manage transitions.

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

Examples

Create, apply an emission model and destroy an AmesPAHdbIDLSuite_Spectrum-instance:

 IDL> transitions = OBJ_NEW('AmesPAHdbIDLSuite_Transitions')
 IDL> transitions->Set,data,database
 IDL> transitions->Shift,-15D
 IDL> transitions->Cascade,4D * 1.603D-12 (4 eV in CGS UNITS)
 IDL> transitions->Plot
 IDL> OBJ_DESTROY,transitions

Author information

Author

Dr. Christiaan Boersma

Copyright

BSD licensed

History

Changes:

 05-10-2024
 Update one more unit in CONVOLVE. Christiaan
 05-09-2024
 Ensure ordinate units are correct. Christiaan Boersma.
 11-09-2023
 Speedups for CASCADE, IDLBRIDGE_EXECUTE, and CONVOLVE by avoiding double
 indexing and computing ranges in loops. Christiaan Boersma.
 10-10-2023
 Use generalized caching in CASCADE. Christiaan Boersma.
 09-20-2023
 Adjust formatting to report >1e3 points in CONVOLVE. Christiaan Boersma.
 08-12-2023
 Set correct units in CASCADE and CONVOLVE. Christiaan Boersma.
 06-02-2023
 Accommodate UIDs >9999 in CASCADE and CALCULATEDTEMPERATURE. Christiaan
 Boersma.
 06-01-2023
 Small optimization in ABSORPTIONCROSSSECTION__AMESPAHDBIDLSUITE.
 Christiaan Boersma.
 04-15-2023
 Re-indent some output. Christiaan Boersma
 05-22-2022
 Use HISTOGRAM for speed-ups in PLOT, PRINT, WRITE,
 CASCADE_IDLBRIDGE, and CALCULATEDTEMPERATURE. Refactor
 CASCADE_IDLBRIDGE and IDLBRIDGE_EXECUTE for using HISTOGRAM
 results and pass DOUBLE with full-resolution to other processes.
 Christiaan Boersma.
 05-15-2022
 Transparently cache/restore results in CASCADE. Christiaan Boersma.
 05-12-2022
 Fix timer computation in IDLBRIDGE_CALLBACK. Christiaan Boersma.
 08-17-2021
 Re-enable (`old-style`) anharmonic profiles. Christiaan Boersma.
 07-06-2021
 Cleaned up progress bar. Christiaan Boersma.
 06-02-2021
 Add message to show when blackbody stellar model is used for
 CASCADE. Christiaan Boersma.
 Speed-up a number of methods by avoiding repeated linear
 searches with WHERE and work around self.uids and self.data.uid
 not having the same order. Christiaan Boersma.
 05-02-2021
 Changed formatting strings to avoid glitch. Christiaan
 Boersma.
 11-09-2020
 Fix formatting strings to properly display 4-digit UIDs.
 Christiaan Boersma
 01-21-2020
 Fix equations for the Drude profiles, making sure they are in
 frequency-space. Christiaan Boersma
 03-26-2019
 Correct log-file naming scheme in CASCADE_IDLBRIDGE to
 accommodate more than 9 CPUs/threads. Christiaan
 Boersma.
 10-02-2018
 Allow CASCADE to run on the spectroscopic libaries of the
 experimental database as long as the APPROXIMATE-keyword is
 set. Christiaan Boersma.
 07-29-2016
 PRINT now shows symmetry and scale for transitions. Christiaan
 Boersma.
 07-11-2015
 CASCADE and CALCULATEDTEMPERATURE now print calculated effective
 temperature as an INTEGER. Christiaan Boersma
 05-03-2015
 FIXEDTEMPERATURE, CALCULATEDTEMPERATURE and CASCADE now print used
 emission model. Fixed formatting string in CASCADE. Christiaan
 Boersma
 04-21-2015
 Updated CASCADE_IDLBRIDGE and
 AMESPAHDBIDLSUITE_TRANSITIONS__IDLBRIDGE_CALLBACK progress
 indicators to not use a fixed width counters. Christiaan Boersma
 04-15-2015
 Refactored CONVOLE. Christiaan Boersma
 04-14-2015
 Changed id to uid and xmin + xmax to DOUBLE in CONVOLVE.
 Christiaan Boersma
 02-01-2015
 First version of the file. Christiaan Boersma.

Class description for AmesPAHdbIDLSuite_Transitions

Inheritance

All ancestor classes: AmesPAHdbIDLSuite_Plot AmesPAHdbIDLSuite_Data IDL_Object

Properties

Properties in AmesPAHdbIDLSuite_Transitions

Data init
Model init
PAHdb init
Shift init
Type init
Uids init
Units init
Version init

Routines

Routines from amespahdbidlsuite_transitions__define.pro

AmesPAHdbIDLSuite_Transitions::Description [, Str]: Output transitions description.
AmesPAHdbIDLSuite_Transitions::Plot [, Wavelength=int] [, Stick=int] [, Oplot=int] [, Legend=int] [, Color=int] [, _EXTRA=struct]: Plot the transitions.
AmesPAHdbIDLSuite_Transitions::Print: Output transtions description.
AmesPAHdbIDLSuite_Transitions::Write [, Filename]: Write the transitions to file as an IPAC-table.
AmesPAHdbIDLSuite_Transitions::Cascade, E [, Approximate=int] [, IDLBridge=int] [, Star=int] [, ISRF=int] [, Convolved=int] [, StellarModel=int] [, Cache=int]: Applies the Cascade emission model.
AmesPAHdbIDLSuite_Transitions::CalculatedTemperature, E [, Approximate=int] [, Star=int] [, ISRF=int] [, StellarModel=int]: Applies the Calculated Temperature emission model
AmesPAHdbIDLSuite_Transitions::FixedTemperature, Temperature: Applies the Fixed Temperature emission model
AmesPAHdbIDLSuite_Transitions::Shift, Shift: Shifts the band positions.
result = AmesPAHdbIDLSuite_Transitions::Convolve( [XRange=double array (2D)] [, FWHM=double or array of struct (1D)] [, Npoints=int] [, Grid=double array (1D)] [, Conserve=int] [, Lorentzian=int] [, Gaussian=int] [, Drude=int] [, Anharmonics=int]): Convolve transitions with a line profile.
result = AmesPAHdbIDLSuite_Transitions::Get(): Retrieves the AmesPAHdbIDLSuite_Transitions representation in a structure.
AmesPAHdbIDLSuite_Transitions::Set [, Struct] [, Type=string] [, Version=string] [, Data=struct] [, PAHdb=pointer] [, Uids=long array (1D)] [, Model=string] [, Units=AmesPAHdb_Units_S struct] [, Shift=float]: Populates the AmesPAHdbIDLSuite_Transitions-instance.
result = AmesPAHdbIDLSuite_Transitions::Init( [Struct] [, Type=string] [, Version=string] [, Data=struct] [, PAHdb=pointer] [, Uids=long array (1D)] [, Model=string] [, Units=AmesPAHdb_Units_S struct] [, Shift=float]): Create an AmesPAHdbIDLSuite_Transitions-instance

Routine details

top source AmesPAHdbIDLSuite_Transitions::Description

INFORMATIVE

AmesPAHdbIDLSuite_Transitions::Description [, Str]

Output transitions description.

Parameters

Str out optional type=string array

Ouput to Str

top source AmesPAHdbIDLSuite_Transitions::Plot

PLOTTING

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

Plot the transitions.

Keywords

Wavelength in optional type=int

Whether to set the abscissa units to wavelength

Stick in optional type=int

Whether to plot the transitions as sticks

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 transitions with

_EXTRA in optional type=struct

Required for IDL's keyword-inheritance mechanism

top source AmesPAHdbIDLSuite_Transitions::Print

INFORMATIVE

AmesPAHdbIDLSuite_Transitions::Print

Output transtions description.

top source AmesPAHdbIDLSuite_Transitions::Write

OUTPUT

AmesPAHdbIDLSuite_Transitions::Write [, Filename]

Write the transitions to file as an IPAC-table.

Parameters

Filename in optional type=string

Output filename

top source AmesPAHdbIDLSuite_Transitions::Cascade

EMISSION MODEL

AmesPAHdbIDLSuite_Transitions::Cascade, E [, Approximate=int] [, IDLBridge=int] [, Star=int] [, ISRF=int] [, Convolved=int] [, StellarModel=int] [, Cache=int]

Applies the Cascade emission model.

Parameters

E in required type=double

Excitation energy in erg or stellar temperature in K

Keywords

Approximate in optional type=int

Whether to use an approximation

IDLBridge in optional type=int

Whether to use IDL_IDLBridge multi-processing

Star in optional type=int

Whether to use blackbody

ISRF in optional type=int

Whether to use the interstellar radiation field

Convolved in optional type=int

Whether to convolve with the given radiation field

StellarModel in optional type=int

Whether to use a stellar model

Cache in optional type=int

Whether to use cached results

top source AmesPAHdbIDLSuite_Transitions::CalculatedTemperature

EMISSION MODEL

AmesPAHdbIDLSuite_Transitions::CalculatedTemperature, E [, Approximate=int] [, Star=int] [, ISRF=int] [, StellarModel=int]

Applies the Calculated Temperature emission model

Parameters

E in required type=double

Excitation energy in erg

Keywords

Approximate in optional type=int

Whether to use an approximation

Star in optional type=int

Whether to use blackbody

ISRF in optional type=int

Whether to use the interstellar radiation field

StellarModel in optional type=int

Whether to use a stellar model

top source AmesPAHdbIDLSuite_Transitions::FixedTemperature

EMISSION MODEL

AmesPAHdbIDLSuite_Transitions::FixedTemperature, Temperature

Applies the Fixed Temperature emission model

Parameters

Temperature in required type=double

Excitation temperature in Kelvin

top source AmesPAHdbIDLSuite_Transitions::Shift

EMISSION MODEL

AmesPAHdbIDLSuite_Transitions::Shift, Shift

Shifts the band positions.

Parameters

Shift in required type=double

Shift in wavenumbers

top source AmesPAHdbIDLSuite_Transitions::Convolve

EMISSION MODEL

result = AmesPAHdbIDLSuite_Transitions::Convolve( [XRange=double array (2D)] [, FWHM=double or array of struct (1D)] [, Npoints=int] [, Grid=double array (1D)] [, Conserve=int] [, Lorentzian=int] [, Gaussian=int] [, Drude=int] [, Anharmonics=int])

Convolve transitions with a line profile.

Return value

AmesPAHdbIDLSuite_Spectrum-instance

Keywords

XRange in optional type=double array (2D)

Range in wavenumberrs

FWHM in optional type=double or array of struct (1D)

Width parameter in wavenumbers

Npoints in optional type=int

Number of sample points

Grid in optional type=double array (1D)

Use given grid

Conserve in optional type=int

Whether to force integrated band area to one

Lorentzian in optional type=int

Whether to use Lorentzian profile

Gaussian in optional type=int

Whether to use Gaussian profile

Drude in optional type=int

Whether to use Drude profile

Anharmonics in optional type=int

Whether to emulate anharmonics

top source AmesPAHdbIDLSuite_Transitions::Get

SET/GET

result = AmesPAHdbIDLSuite_Transitions::Get()

Retrieves the AmesPAHdbIDLSuite_Transitions representation in a structure.

Return value

Structure

top source AmesPAHdbIDLSuite_Transitions::Set

SET/GET

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

Populates the AmesPAHdbIDLSuite_Transitions-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

top source AmesPAHdbIDLSuite_Transitions::Init

CLASS

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

Create an AmesPAHdbIDLSuite_Transitions-instance

Return value

AmesPAHdbIDLSuite_Transitions-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

File attributes

Modification date:	Fri Oct 24 12:51:09 2025
Lines:	1,316
Docformat:	rst rst