; docformat = 'rst'
;+
;
; This is an example of calculating the PAH emission spectrum of
; coronene where the bands have been convolved using anharmonic
; profiles buildt around the functionality provided by the
; AmesPAHdbIDLSuite and should help confirm that the it has been
; properly installed. The source code is annotated to guide users and
; developers in the inner workings of the suite.
;
; Updated versions of the NASA Ames PAH IR Spectroscopic Database and
; more information can be found at: `www.astrochemistry.org/pahdb <https://www.astrochemistry.org/pahdb>`.
;
; :Examples:
; Call the procedure directly::
;
; IDL> anharmonics
;
; :Author:
; Dr. Christiaan Boersma
;
; :Copyright:
; BSD licensed
;
; :History:
; Changes::
;
; 08-19-2019
; Documentation added. Christiaan Boersma.
;-
;+
; Procedure calculating the anharmonic spectrum of coronene.
;
; :Categories:
; Example
;-
PRO ANHARMONICS
COMPILE_OPT IDL2
; read in the default database defined by the environement variable
; !AMESPAHDEFAULTDB or the system variable AMESPAHDEFAULTDB. use
; the keyword FILENAME if these have not been set
pahdb = OBJ_NEW('AmesPAHdbIDLSuite')
; get the integrated cross-sections for coronene
transitions = pahdb->GetTransitionsByUID(18)
; calculate the emission spectrum after
; absorbing a 4 eV (CGS units) photon
transitions->Cascade,4D * 1.603D-12
; convolve the bands with a Lorentzian of FWHM 20 wavenumbers and
; treat anharmonics
spectrum1 = transitions->Convolve(/Anharmonic)
; convolve the bands with a Lorentzian with a Lorentian of FWHM 30
; wavenumbers
spectrum2 = transitions->Convolve(FWHM=30)
; plot the convolved spectra
spectrum1->Plot,/Fill
spectrum2->Plot,/Oplot,/Fill,Legend=0,Color=4
; clean up
OBJ_DESTROY,[spectrum2, spectrum1, transitions, pahdb]
END