; docformat = 'rst' ;+ ; ; 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: ; 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. ;- ;+ ; Output transitions description. ; ; :Params: ; Str: out, optional, type="string array" ; Ouput to Str ; ; :Categories: ; INFORMATIVE ;- PRO AmesPAHdbIDLSuite_Transitions::Description,Str COMPILE_OPT IDL2 ON_ERROR,2 self->AmesPAHdbIDLSuite_Data::Description,Str Str = [Str, STRING(FORMAT='(A-12,": ")', "shift") + STRTRIM(STRING(FORMAT='(g-8.3)', self.shift), 2) + " cm!U-1!N"] Str = STRJOIN(Str, "!C") IF N_PARAMS() GT 0 THEN RETURN PRINT,STRJOIN(STRSPLIT(Str, "!C", /EXTRACT, /REGEX), STRING(10B)) END ;+ ; 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 ; ; :Categories: ; PLOTTING ;- PRO AmesPAHdbIDLSuite_Transitions::Plot,Wavelength=Wavelength,Stick=Stick,Oplot=Oplot,Legend=Legend,Color=Color,_EXTRA=EXTRA COMPILE_OPT IDL2 ON_ERROR,2 self->AmesPAHdbIDLSuite_Plot::Setup,Oplot=Oplot,XSIZE=600,YSIZE=400 x = (*self.data).frequency xunits = self.units.abscissa.str xrange = [MAX(x, MIN=xmin), xmin] IF KEYWORD_SET(Wavelength) THEN BEGIN x = 1D4 / x xrange = [MIN(x, MAX=xmax), xmax] xunits = 'wavelength [!Mm!Xm]' ENDIF IF SIZE(Stick, /TYPE) EQ 0 THEN Stick = 1 IF NOT KEYWORD_SET(Oplot) THEN self->AmesPAHdbIDLSuite_Plot::Plot,x,(*self.data).intensity,Color=Color,XRANGE=xrange,XTITLE=xunits,YTITLE=self.units.ordinate.str,/NoData,_EXTRA=EXTRA IF NOT KEYWORD_SET(Color) THEN Color=2 h = HISTOGRAM((*self.data).uid, MIN=0, REVERSE_INDICES=ri) FOR i = 0L, self.nuids - 1L DO BEGIN select = ri[ri[(*self.uids)[i]]:ri[(*self.uids)[i]+1]-1] self->AmesPAHdbIDLSuite_Plot::Oplot,x[select],(*self.data)[select].intensity,COLOR=Color+i,Stick=Stick ENDFOR IF SIZE(Legend, /TYPE) EQ 0 THEN Legend = 1 IF Legend THEN BEGIN self->Description,outs self->AmesPAHdbIDLSuite_Plot::Legend,outs ENDIF self->AmesPAHdbIDLSuite_Plot::Restore END ;+ ; Output transtions description. ; ; :Categories: ; INFORMATIVE ;- PRO AmesPAHdbIDLSuite_Transitions::Print COMPILE_OPT IDL2 ON_ERROR,2 h = HISTOGRAM((*self.data).uid, MIN=0, REVERSE_INDICES=ri) FOR i = 0L, self.nuids - 1L DO BEGIN PRINT PRINT,"=========================================================" PRINT,OBJ_CLASS(self) PRINT,"UID: "+STRING(FORMAT='(I-0)', (*self.uids)[i]) PRINT,FORMAT='(A-20,2X,A-36,$)', self.units.abscissa.str, self.units.ordinate.str IF self.type EQ 'theoretical' THEN PRINT,FORMAT='(A8,2X,A0,$)','symmetry','scale' PRINT select = ri[ri[(*self.uids)[i]]:ri[(*self.uids)[i]+1]-1] FOR j = 0L, h[(*self.uids)[i]] - 1L DO BEGIN PRINT,FORMAT='(A-20,2X,A-36,$)',STRING(FORMAT='(G0)',(*self.data)[select[j]].frequency), STRING(FORMAT='(G0)',(*self.data)[select[j]].intensity) IF self.type EQ 'theoretical' THEN PRINT,FORMAT='(A-8,2X,G0, $)',(*self.data)[select[j]].symmetry,(*self.data)[select[j]].scale PRINT ENDFOR PRINT,"=========================================================" PRINT ENDFOR END ;+ ; Write the transitions to file as an IPAC-table. ; ; :Params: ; Filename: in, optional, type=string ; Output filename ; ; :Categories: ; OUTPUT ;- PRO AmesPAHdbIDLSuite_Transitions::Write,Filename COMPILE_OPT IDL2 ON_ERROR,2 IF N_PARAMS() LT 1 THEN Filename = OBJ_CLASS(self) + '.tbl' timestamp = SYSTIME() hdr = [] FXADDPAR,hdr,"DATE",timestamp," Date this file was generated" FXADDPAR,hdr,"ORIGIN","NASA Ames Research Center"," Organization generating this file" FXADDPAR,hdr,"CREATOR",STRING(FORMAT='("IDL",X,A0,X,"on",X,A0)', !VERSION.RELEASE, !VERSION.OS_NAME)," Software used to create this file" FXADDPAR,hdr,"SOFTWARE","AmesPAHdbIDLSuite"," Program used to create this file" FXADDPAR,hdr,"AUTHOR","Dr. C. Boersma"," Author of the program" FXADDPAR,hdr,"TYPE",OBJ_CLASS(self)," AmesPAHdbIDLSuite data type" self->Description,description comments = STRSPLIT(description, "!C", /EXTRACT, /REGEX, COUNT=ncomments) FOR i = 0L, ncomments - 1 DO FXADDPAR,hdr,"COMMENT",comments[i] IF self.units.abscissa.str THEN $ abscissa = STREGEX(self.units.abscissa.str, '(.*) \[(.*)\]', /SUBEXPR, /EXTRACT) $ ELSE $ abscissa = ['', 'abscissa', ''] IF self.units.ordinate.str THEN $ ordinate = STREGEX(self.units.ordinate.str, '(.*) \[(.*)\]', /SUBEXPR, /EXTRACT) $ ELSE $ ordinate = ['', 'ordinate', ''] half_abscissa_len = STRLEN(abscissa[1]) / 2 half_ordinate_len = STRLEN(ordinate[1]) / 2 fmt1 = '("|",A' + STRING(FORMAT='(I0)', 12 + half_abscissa_len) + ',' + STRING(FORMAT='(I0)', 13 - half_abscissa_len) + 'X,' + $ '"|",A' + STRING(FORMAT='(I0)', 12 + half_ordinate_len) + ',' + STRING(FORMAT='(I0)', 13 - half_ordinate_len) + 'X,' + $ '"|",A' + STRING(FORMAT='(I0)', 6 + 3) + ',' + STRING(FORMAT='(I0)', 6 - 3) + 'X,' + $ '"|")' fmt2 = '("|",A' + STRING(FORMAT='(I0)', 12 + 3) + ',' + STRING(FORMAT='(I0)', 13 - 3) + 'X,' + $ '"|",A' + STRING(FORMAT='(I0)', 12 + 3) + ',' + STRING(FORMAT='(I0)', 13 - 3) + 'X,' + $ '"|",A' + STRING(FORMAT='(I0)', 6 + 3) + ',' + STRING(FORMAT='(I0)', 6 - 3) + 'X,' + $ '"|")' half_abscissa_len = STRLEN(abscissa[2]) / 2 half_ordinate_len = STRLEN(ordinate[2]) / 2 fmt3 = '("|",A' + STRING(FORMAT='(I0)', 12 + half_abscissa_len) + ',' + STRING(FORMAT='(I0)', 13 - half_abscissa_len) + 'X,' + $ '"|",A' + STRING(FORMAT='(I0)', 12 + half_ordinate_len) + ',' + STRING(FORMAT='(I0)', 13 - half_ordinate_len) + 'X,' + $ '"|",A' + STRING(FORMAT='(I0)', 6 + 3) + ',' + STRING(FORMAT='(I0)', 6 - 3) + 'X,' + $ '"|")' cols = [STRING(FORMAT=fmt1,STRUPCASE(abscissa[1]),STRUPCASE(ordinate[1]),'UID'), $ STRING(FORMAT=fmt2,"double","double","int"), $ STRING(FORMAT=fmt3,abscissa[2],ordinate[2],"")] OPENW,funit,Filename,/GET_LUN PRINTF,funit,FORMAT='("\",A0)',hdr[0:WHERE(STRPOS(hdr, 'END') EQ 0)] PRINTF,funit,STRJOIN(cols, STRING( 10B )) h = HISTOGRAM((*self.data).uid, MIN=0, REVERSE_INDICES=ri) FOR i = 0L, self.nuids - 1L DO BEGIN select = ri[ri[(*self.uids)[i]]:ri[(*self.uids)[i]+1]-1] FOR j = 0L, h[(*self.uids)[i]] - 1L DO $ PRINTF,FORMAT='(X,F25.6,X,F25.6,X,I)',funit,(*self.data)[select[j]].frequency,(*self.data)[select[j]].intensity,(*self.uids)[i] ENDFOR CLOSE,funit FREE_LUN,funit PRINT PRINT,"=========================================================" PRINT," WRITTEN IPAC TABLE: ", Filename PRINT,"=========================================================" PRINT END ;+ ; Calculates the PAH absorption cross-section per Li & Draine 2007, ; ApJ, 657:810-837. ; ; :Returns: ; float array ; ; :Params: ; f: in, required, type="double array" ; frequencies in wavenumber ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION AbsorptionCrosssection__AmesPAHdbIDLSuite,f COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel wave = 1D4 / f & nf = N_ELEMENTS(f) A = REBIN([7.97D-17, 1.23D-17, 20D-21, 14D-21, 80D-24, 84D-24, 46D-24, -322D-24], 8, nf) W = REBIN([0.195D, 0.217D, 0.0805D, 0.20D, 0.0370D, 0.0450D, 0.0150D, 0.135D], 8, nf) C = REBIN([0.0722D, 0.2175D, 1.05D, 1.23D, 1.66D, 1.745D, 1.885D, 1.90D], 8, nf) y = 1D / (0.889D + (2.282 / SQRT(0.4D * nc))) / wave wave_r2 = TRANSPOSE(REBIN([wave], nf, 2)) crosssection = ((1D / !DPI) * ATAN((1D3 * (y - 1D)^3) / y) + 0.5D) * (3458D-20 * 10D^(-3.431D * wave) + (2D / !DPI) * TOTAL(W[0:1,*] * C[0:1,*] * A[0:1,*] / (((wave_r2 / C[0:1,*]) - (C[0:1,*] / wave_r2))^2 + W[0:1,*]^2), 1)) IF charge EQ 0 THEN RETURN,crosssection wave_r6 = TRANSPOSE(REBIN([wave], nf, 6)) RETURN, crosssection + EXP(-1D-1 / wave^2) * 1.5D-19 * 10D^(-wave) + SQRT(2D / !DPI) * TOTAL(A[2:*,*] * EXP(-2D * (wave_r6 - C[2:*,*])^2 / W[2:*,*]^2) / W[2:*,*], 1) END ;+ ; Callback function to Calculate the absorption cross-section ; multiplied by Planck's function. ; ; :Returns: ; float array ; ; :Params: ; f: in, required, type="double array" ; frequencies in wavenumber ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION PlanckFunc__AmesPAHdbIDLSuite,f COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * f^3 / (EXP(1.4387751297850830401D * f / TStar) - 1D) END ;+ ; Callback function to calculate the absorption cross-section ; multiplied by Planck's function squared. ; ; :Returns: ; float array ; ; :Params: ; f: in, required, type="double array" ; frequencies in wavenumber ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION PlanckSquaredFunc__AmesPAHdbIDLSuite,f COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * f^4 / (EXP(1.4387751297850830401D * f / TStar) - 1D) END ;+ ; Callback function to calculate the number of photons using Planck's ; function. ; ; :Returns: ; float array ; ; :Params: ; f: in, required, type="double array" ; frequencies in wavenumber ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION PlanckNumberOfPhotonsFunc__AmesPAHdbIDLSuite,f COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * f^2 / (EXP(1.4387751297850830401D * f / TStar) - 1D) END ;+ ; Callback function to calculate the absorption cross-section ; multiplied by the interstellar radiation field per Mathis et ; al. 1983, A&A, 128:212. ; ; :Returns: ; float array ; ; :Params: ; f: in, required, type="double array" ; frequencies in wavenumber ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION ISRFFunc__AmesPAHdbIDLSuite,f COMPILE_OPT IDL2 ON_ERROR,2 IF f GT 1.1D5 THEN RETURN,0D IF f GT 1D4 / 0.110D THEN RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * 1.202D+23 / f^5.4172D IF f GE 1D4 / 0.134D THEN RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * 1.366D6 / f^2D IF f GE 1D4 / 0.246D THEN RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * 1.019D-2 / f^0.3322D T = [7500D, 4000D, 3000D, 2.73D] & W = [1D-14, 1.65D-13, 4D-13, 1D] RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * f^3 * TOTAL(W / (EXP(1.4387751297850830401D * f / T) - 1D)) END ;+ ; Callback function to calculate the absorption cross-section times ; the interstellar radiation field per Mathis et al. 1983, A&A, ; 128:212. ; ; :Returns: ; float array ; ; :Params: ; f: in, required, type="double array" ; frequencies in wavenumber ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION ISRFSquaredFunc__AmesPAHdbIDLSuite,f COMPILE_OPT IDL2 ON_ERROR,2 IF f GT 1.1D5 THEN RETURN,0D IF f GT 1D4 / 0.110D THEN RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * 1.202D+23 / f^4.4172D IF f GE 1D4 / 0.134D THEN RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * 1.366D6 / f IF f GE 1D4 / 0.246D THEN RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * 1.019D-2 * f^0.6678D T = [7500D, 4000D, 3000D, 2.73D] & W = [1D-14, 1.65D-13, 4D-13, 1D] RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * f^4 * TOTAL(W / (EXP(1.4387751297850830401D * f / T) - 1D)) END ;+ ; Callback function to calculate the number of photons per Mathis et ; al. 1983, A&A, 128:212. ; ; :Returns: ; float array ; ; :Params: ; f: in, required, type="double array" ; frequencies in wavenumber ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION ISRFNumberOfPhotonsFunc__AmesPAHdbIDLSuite,f COMPILE_OPT IDL2 ON_ERROR,2 IF f GT 1.1D5 THEN RETURN,0D IF f GT 1D4 / 0.110D THEN RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * 1.202D+23 / f^6.4172D IF f GE 1D4 / 0.134D THEN RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * 1.366D6 / f^3D IF f GE 1D4 / 0.246D THEN RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * 1.019D-2 / f^1.3322D T = [7500D, 4000D, 3000D, 2.73D] & W = [1D-14, 1.65D-13, 4D-13, 1D] RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * f^2 * TOTAL(W / (EXP(1.4387751297850830401D * f / T) - 1D)) END ;+ ; Callback function to calculate the mean energy in erg for a given ; blackbody temperature. ; ; :Returns: ; float array ; ; :Keywords: ; ISRF: in, optional, type=int ; Whether to use the interstellar radiation field instead ; StellarModel: in, optional, type=int ; Whether to use a stellar model instead ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION MeanEnergyFunc__AmesPAHdbIDLSuite,ISRF=ISRF,StellarModel=StellarModel COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel IF KEYWORD_SET(StellarModel) THEN RETURN,1.9864456023253396D-16 * INT_TABULATED(StarModel.frequency, AbsorptionCrossSection__AmesPAHdbIDLSuite(StarModel.frequency) * StarModel.intensity) / INT_TABULATED(StarModel.frequency, AbsorptionCrosssection__AmesPAHdbIDLSuite(StarModel.frequency) * StarModel.intensity / StarModel.frequency) IF KEYWORD_SET(ISRF) THEN RETURN,1.9864456023253396D-16 * QROMB('ISRFFunc__AmesPAHdbIDLSuite', 2.5D3, 1.1D5, K=7, EPS=1D-6) / QROMB('ISRFNumberOfPhotonsFunc__AmesPAHdbIDLSuite', 2.5D3, 1.1D5, K=7, EPS=1D-6) RETURN,1.9864456023253396D-16 * QROMB('PlanckFunc__AmesPAHdbIDLSuite', 2.5D3, 1.1D5, K=7, EPS=1D-6) / QROMB('PlanckNumberOfPhotonsFunc__AmesPAHdbIDLSuite', 2.5D3, 1.1D5, K=7, EPS=1D-6) END ;+ ; Callback function to calculate the mean energy squared in erg^2 for ; a given blackbody temperature. ; ; :Returns: ; float array ; ; :Keywords: ; ISRF: in, optional, type=int ; Whether to use the interstellar radiation field instead ; StellarModel: in, optional, type=int ; Whether to use a stellar model instead ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION MeanEnergySquaredFunc__AmesPAHdbIDLSuite,ISRF=ISRF,StellarModel=StellarModel COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel IF KEYWORD_SET(StellarModel) THEN RETURN, 3.945966130997681D-32 * INT_TABULATED(StarModel.frequency, StarModel.frequency * AbsorptionCrossSection__AmesPAHdbIDLSuite(StarModel.frequency) * StarModel.intensity) / INT_TABULATED(StarModel.frequency, AbsorptionCrosssection__AmesPAHdbIDLSuite(StarModel.frequency) * StarModel.intensity / StarModel.frequency) IF KEYWORD_SET(ISRF) THEN RETURN, 3.945966130997681D-32 * QROMB('ISRFSquaredFunc__AmesPAHdbIDLSuite', 2.5D3, 1.1D5, K=7, EPS=1D-6) / QROMB('ISRFNumberOfPhotonsFunc__AmesPAHdbIDLSuite', 2.5D3, 1.1D5, K=7, EPS=1D-6) RETURN,3.945966130997681D-32 * QROMB('PlanckSquaredFunc__AmesPAHdbIDLSuite', 2.5D3, 1.1D5, K=7, EPS=1D-6) / QROMB('PlanckNumberOfPhotonsFunc__AmesPAHdbIDLSuite', 2.5D3, 1.1D5, K=7, EPS=1D-6) END ;+ ; Callback function to calculates the heat capacity. ; ; :Returns: ; double ; ; :Params: ; T: in, required, type=double ; Excitation temperature in Kelvin ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION HeatCapacityFunc__AmesPAHdbIDLSuite,T COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel val = 1.4387751297850830401D * frequencies / T ret = 1.3806505D-16 * TOTAL(EXP(-val) * (val / (1D - EXP(-val)))^2) RETURN,ret END ;+ ; Callback function to alculate a PAH's temperature after absorbing a ; given amount of energy. ; ; :Returns: ; double ; ; :Params: ; T: in, required, type=double ; Excitation temperature in Kelvin ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION AttainedTemperatureFunc__AmesPAHdbIDLSuite,T COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel RETURN,QROMB('HeatCapacityFunc__AmesPAHdbIDLSuite', 2.73D, T, K=7, EPS=1D-6) - Ein END ;+ ; Callback function to calculate a PAH's temperature after absorbing ; a given amount of energy using an approximation. ; ; :Returns: ; double ; ; :Params: ; T: in, required, type=double ; Excitation temperature in Kelvin ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION ApproximateAttainedTemperatureFunc__AmesPAHdbIDLSuite,T COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel RETURN,nc * (7.54267D-11 * ERF(-4.989231D + 0.41778D * ALOG(T)) + 7.542670D-11) - Ein END ;+ ; Callback function to calculate a feature's strength covolved with a ; given blackbody radiation field. ; ; :Returns: ; double ; ; :Params: ; f: in, required, type=double ; frequency in wavenumbers ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION PlanckFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite,f COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel Ein = 1.9864456D-16 * f TMax = FX_ROOT([2.73D, 2500, 5000], 'AttainedTemperatureFunc__AmesPAHdbIDLSuite', /DOUBLE, TOL=1D-5) RETURN,PlanckNumberOfPhotonsFunc__AmesPAHdbIDLSuite(f) * QROMB('FeatureStrengthFunc__AmesPAHdbIDLSuite', 2.73D, TMax, K=7, EPS=1D-6) END ;+ ; Callback function to culate a feature's strength covolved with the ; interstellar radiation field. ; ; :Returns: ; double ; ; :Params: ; f: in, required, type=double ; frequency in wavenumbers ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION ISRFFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite,f COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel Ein = 1.9864456D-16 * f TMax = FX_ROOT([2.73D, 2500, 5000], 'AttainedTemperatureFunc__AmesPAHdbIDLSuite', /DOUBLE, TOL=1D-5) RETURN,ISRFNumberOfPhotonsFunc__AmesPAHdbIDLSuite(f) * QROMB('FeatureStrengthFunc__AmesPAHdbIDLSuite', 2.73D, TMax, K=7, EPS=1D-6) END ;+ ; Callback function to calculate a feature's strength covolved with a ; a given stellar model. ; ; :Returns: ; double ; ; :Params: ; f: in, required, type=double ; frequency in wavenumbers ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION StellarModelFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite,f COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel Ein = 1.9864456D-16 * f TMax = FX_ROOT([2.73D, 2500, 5000], 'AttainedTemperatureFunc__AmesPAHdbIDLSuite', /DOUBLE, TOL=1D-5) RETURN,AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * INTERPOL(StarModel.intensity / StarModel.frequency, StarModel.frequency, f) * QROMB('FeatureStrengthFunc__AmesPAHdbIDLSuite', 2.73D, TMax, K=7, EPS=1D-6) END ;+ ; Callback function to calculate a feature's strength covolved with a ; given blackbody using an approximation. ; ; :Returns: ; double ; ; :Params: ; f: in, required, type=double ; frequency in wavenumbers ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION PlanckApproximateFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite,f COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel Ein = 1.9864456D-16 * f TMax = FX_ROOT([2.73D, 2500, 5000], 'AttainedTemperatureFunc__AmesPAHdbIDLSuite', /DOUBLE, TOL=1D-5) RETURN,PlanckNumberOfPhotonsFunc__AmesPAHdbIDLSuite(f) * QROMB('ApproximateFeatureStrengthFunc__AmesPAHdbIDLSuite', 2.73D, TMax, K=7, EPS=1D-6) END ;+ ; Callback function to calculate a feature's strength covolved with ; the interstellar radiation field using an approximation. ; ; :Returns: ; double ; ; :Params: ; f: in, required, type=double ; frequency in wavenumbers ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION ISRFApproximateFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite,f COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel Ein = 1.9864456D-16 * f TMax = FX_ROOT([2.73D, 2500, 5000], 'AttainedTemperatureFunc__AmesPAHdbIDLSuite', /DOUBLE, TOL=1D-5) RETURN,ISRFNumberOfPhotonsFunc__AmesPAHdbIDLSuite(f) * QROMB('ApproximateFeatureStrengthFunc__AmesPAHdbIDLSuite', 2.73D, TMax, K=7, EPS=1D-6) END ;+ ; Callback function to calculate a feature's strength covolved with a ; given stellar model using an approximation. ; ; :Returns: ; double ; ; :Params: ; f: in, required, type=double ; frequency in wavenumbers ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION StellarModelApproximateFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite,f COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel Ein = 1.9864456D-16 * f TMax = FX_ROOT([2.73D, 2500, 5000], 'AttainedTemperatureFunc__AmesPAHdbIDLSuite', /DOUBLE, TOL=1D-5) RETURN, AbsorptionCrosssection__AmesPAHdbIDLSuite(f) * INTERPOL(StarModel.intensity / StarModel.frequency, StarModel.frequency, f) * QROMB('ApproximateFeatureStrengthFunc__AmesPAHdbIDLSuite', 2.73D, TMax, K=7, EPS=1D-6) / 1.9864456023253396D-16 END ;+ ; Callback function to calculate a feature's strength covolved with a ; blackbody. ; ; :Returns: ; double ; ; :Params: ; T: in, required, type=double ; Excitation temperature in Kelvin ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION FeatureStrengthFunc__AmesPAHdbIDLSuite,T COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel val1 = 1.4387751297850830401D * frequency / T val2 = 1.4387751297850830401D * frequencies / T RETURN,(HeatCapacityFunc__AmesPAHdbIDLSuite(T) / (EXP(val1) - 1D)) * (1D / TOTAL(intensities * (frequencies)^3 / (EXP(val2) - 1D))) END ;+ ; Callback function to calculate a feature's strength covolved with a ; blackbody using an approximation from Bakes, Tielen & Bauschlicher, ; ApJ, 556:501-514, 2001. ; ; :Returns: ; double ; ; :Params: ; T: in, required, type=double ; Excitation temperature in Kelvin ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION ApproximateFeatureStrengthFunc__AmesPAHdbIDLSuite,T COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel a = 0D b = 0D IF charge NE 0 THEN BEGIN IF T GT 1000 THEN BEGIN a = 4.8D-4 b = 1.6119D ENDIF ELSE IF T GT 300 AND T LE 1000 THEN BEGIN a = 6.38D-7 b = 2.5556D ENDIF ELSE IF T GT 100 AND T LE 300 THEN BEGIN a = 1.69D-12 b = 4.7687D ENDIF ELSE IF T GT 40 AND T LE 100 THEN BEGIN a = 7.70D-9 b = 2.9244D ENDIF ELSE IF T GT 20 AND T LE 40 THEN BEGIN a = 3.47D-12 b = 5.0428D ENDIF ELSE IF T GT 2.7 AND T LE 20 THEN BEGIN a = 4.47D-19 b = 10.3870D ENDIF ENDIF ELSE BEGIN IF T GT 270 THEN BEGIN a = 5.52D-7 b = 2.5270D ENDIF ELSE IF T GT 200 AND T LE 270 THEN BEGIN a = 1.70D-9 b = 3.5607D ENDIF ELSE IF T GT 60 AND T LE 200 THEN BEGIN a = 1.35D-11 b = 4.4800D ENDIF ELSE IF T GT 30 AND T LE 60 THEN BEGIN a = 4.18D-8 b = 2.5217D ENDIF ELSE IF T GT 2.7 AND T LE 30 THEN BEGIN a = 1.88D-16 b = 8.1860 ENDIF ENDELSE val = 1.4387751297850830401D * frequency / T IF a EQ 0D OR val GT ALOG((MACHAR(/DOUBLE)).xmax) THEN RETURN,0D RETURN,1D / ((EXP(val) - 1D) * a * T^b) END ;+ ; IDL_IDLBridge callback for calculating the Cascade PAH emission ; model. ; ; :Params: ; uid: in, required, type=long ; UID ; offset: in, required, type=long ; Offset into shared memory map ; ; :Categories: ; EMISSION MODEL,IDL_IDLBridge ; ; :Private: ;- PRO AmesPAHdbIDLSuite_Transitions__IDLBridge_Execute,uid,offset COMPILE_OPT IDL2 ON_ERROR,2 COMMON IDLBridge__AmesPAHData, shmmap, n_ri, ri, n_data, n_uids, i, E, doApproximate, doStar, doISRF, doConvolved, doStellarModel select = ri[ri[uid]:ri[uid+1L]-1L] nselect = N_ELEMENTS(select) COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel frequencies = shmmap[n_ri+select] intensities = shmmap[n_ri+n_data+select] IF doApproximate OR doStar OR doISRF THEN BEGIN nc = shmmap[n_ri+2L*n_data+3L*n_uids+offset] charge = shmmap[n_ri+2L*n_data+4L*n_uids+offset] ENDIF IF doStar OR doISRF THEN BEGIN IF doStar THEN Tstar = E Ein = MeanEnergyFunc__AmesPAHdbIDLSuite(ISRF=doISRF, StellarModel=doStellarModel) shmmap[n_ri+2L*n_data+n_uids+offset] = SQRT(MeanEnergySquaredFunc__AmesPAHdbIDLSuite(ISRF=doISRF, StellarModel=doStellarModel) - Ein^2) IF doConvolved THEN NPhot = NumberOfPhotonsFunc__AmesPAHdbIDLSuite(ISRF=doISRF, StellarModel=doStellarModel) ENDIF ELSE Ein = E IF doApproximate THEN BEGIN func1 = 'ApproximateAttainedTemperatureFunc__AmesPAHdbIDLSuite' func2 = 'ApproximateFeatureStrengthFunc__AmesPAHdbIDLSuite' IF doConvolved THEN BEGIN IF doISRF THEN func3 = 'ISRFApproximateFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite' $ ELSE IF doStellarModel THEN func3 = 'StellarModelApproximateFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite' $ ELSE func3 = 'PlanckApproximateFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite' ENDIF ENDIF ELSE BEGIN func1 = 'AttainedTemperatureFunc__AmesPAHdbIDLSuite' func2 = 'FeatureStrengthFunc__AmesPAHdbIDLSuite' IF doConvolved THEN BEGIN IF doISRF THEN func3 = 'ISRFFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite' $ ELSE IF doStellarModel THEN func3 = 'StellarModelFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite' $ ELSE func3 = 'PlanckFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite' ENDIF ENDELSE Tmax = FX_ROOT([2.73D, 2500, 5000], func1, /DOUBLE, TOL=1D-5) shmmap[n_ri+2L*n_data+offset] = Tmax shmmap[n_ri+2L*n_data+n_uids+offset] = Ein d = intensities IF (doStar OR doISRF) AND doConvolved THEN BEGIN FOR i = 0L, nselect - 1 DO BEGIN IF intensities[i] EQ 0 THEN CONTINUE frequency = frequencies[i] d[i] *= QROMB(func3, 2.5D3, 1.1D5, K=7, EPS=1D-6) ENDFOR d /= Nphot ENDIF ELSE BEGIN FOR i = 0L, nselect - 1L DO BEGIN IF intensities[i] EQ 0 THEN CONTINUE frequency = frequencies[i] d[i] *= QROMB(func2, 2.73D, Tmax, K=7, EPS=1D-6) ENDFOR ENDELSE IF doApproximate THEN d *= 2.48534271218563D-23 * nc / TOTAL(intensities) shmmap[n_ri+n_data+select] = d END ;+ ; IDL_IDLBridge callback function for calculating the Cascade PAH ; emission model. ; ; :Returns: ; double ; ; :Params: ; Status: in, required, type=int ; Status ; Error: in, required, type=int ; Error code ; ObjRef: in, required, type="object reference" ; Calling IDL_IDLBridge-instance ; Userdata: in, required, type="any" ; User specfied data ; ; :Categories: ; EMISSION MODEL,IDL_IDLBridge ; ; :Private: ;- PRO AmesPAHdbIDLSuite_Transitions__IDLBridge_Callback,Status,Error,ObjRef,UserData COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_IDLBridge_C, uids, nuids, i, timer_start IF Status EQ 2 THEN BEGIN digits_s = STRTRIM(STRING(FIX(ALOG10(nuids)) + 1), 2) timer = FLOAT(nuids - i) * FLOAT(SYSTIME(/SECONDS) - timer_start) / FLOAT(i + 1L) IF timer LT 1.0 THEN remaining = STRING(FORMAT='(I03,"ms")', timer * 1E3) $ ELSE IF timer LT 60.0 THEN remaining = STRING(FORMAT='(I02,"s")', timer) $ ELSE IF timer LT 3600.0 THEN remaining = STRING(FORMAT='(I02,"m",I02,"s")', timer / 60, timer MOD 60) $ ELSE IF timer LT 86400.0 THEN remaining = STRING(FORMAT='(I02,"h",I02,"m",I02,"s")', timer / 3600.0, (timer MOD 3600) / 60.0, (timer MOD 3600) MOD 60) $ ELSE remaining = STRING(FORMAT='(I3,"d",I02,"h",I02,"m")', timer / 86400.0, (timer MOD 86400) / 3600.0, (timer MOD 86400) MOD 3600) PRINT,FORMAT='("' + STRING(13B) +'SPECIES :",X,I0' + digits_s + ',"/",I0' + digits_s + ',X,"~",A-10,X,"remaining",$)',i,nuids,remaining IF i LT nuids THEN Objref->Execute,STRING(FORMAT='("AmesPAHdbIDLSuite_Transitions__IDLBridge_Execute,",I,",",I)', uids[i], i++),/NOWAIT ENDIF ELSE IF Status EQ 3 THEN BEGIN PRINT PRINT,"=========================================================" PRINT," IDLBRIDGE ERROR: "+Error PRINT,"=========================================================" PRINT ENDIF ELSE IF Status EQ 4 THEN BEGIN PRINT PRINT,"=========================================================" PRINT," IDLBRIDGE ABORTED " PRINT,"=========================================================" PRINT ENDIF END ;+ ; Callback function to calculate the number of photons given a blackbody radiation field. ; ; :Returns: ; double ; ; :Keywords: ; ISRF: in, optional, type=int ; Whether to use the interstellar radiation field ; StellarModel: in, optional, type=int ; Whether to use a stellar model ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION NumberOfPhotonsFunc__AmesPAHdbIDLSuite,ISRF=ISRF,StellarModel=StellarModel COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel IF KEYWORD_SET(StellarModel) THEN RETURN,INT_TABULATED(StarModel.frequency, AbsorptionCrosssection__AmesPAHdbIDLSuite(StarModel.frequency) * StarModel.intensity / StarModel.frequency) IF KEYWORD_SET(ISRF) THEN RETURN,QROMB('ISRFNumberOfPhotonsFunc__AmesPAHdbIDLSuite', 2.5D3, 1.1D5, K=7, EPS=1D-6) RETURN,QROMB('PlanckNumberOfPhotonsFunc__AmesPAHdbIDLSuite', 2.5D3, 1.1D5, K=7, EPS=1D-6) END ;+ ; IDL_IDLBridge procedure for calculating the Cascade PAH emission ; model. ; ; :Params: ; E: in, required, type=double ; Excitation enery 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 ; Convolved: in, optional, type=int ; Whether to convolve with the radiation field ; StellarModel: in, optional, type=int ; Whether to use a stellar model ; ; :Categories: ; EMISSION MODEL,IDL_IDLBridge ; ; :Private: ;- PRO AmesPAHdbIDLSuite_Transitions::Cascade_IDLBridge,E,Approximate=Approximate,Star=Star,ISRF=ISRF,Convolved=Convolved,StellarModel=StellarModel COMPILE_OPT IDL2 ON_ERROR,2 COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel n_data = N_ELEMENTS(*self.data) h = HISTOGRAM((*self.data).uid, MIN=0, REVERSE_INDICES=ri) n_ri = N_ELEMENTS(ri) ;; Shared Memory Layout: ;; ;; ri (n_ri / LONG) ;; frequency (n_data / DOUBLE) ;; intensity (n_data / DOUBLE) ;; T (n_uids / DOUBLE) ;; E (n_uids / DOUBLE) ;; sigma (n_uids / DOUBLE) ;; nc (n_uids / LONG) ;; charge (n_uids / LONG) ;; n_star (optional; 1 / LONG) ;; star_frequency (optional; n_star / DOUBLE) ;; star_intensity (optional; n_star / DOUBLE) shmmap_size = n_ri + 2L * n_data + 5L * self.nuids IF KEYWORD_SET(StellarModel) THEN $ shmmap_size += 2L * N_ELEMENTS(StarModel) + 1L n_species = N_ELEMENTS((*self.database).data.species) idx = ULINDGEN(n_species, self.nuids) select = WHERE((*self.database).data.species[idx MOD n_species].uid EQ ((*self.uids))[idx / n_species]) MOD n_species SHMMAP,'AmesPAHdbIDLSuite_SHMMAP',shmmap_size,/DOUBLE shmmap = SHMVAR('AmesPAHdbIDLSuite_SHMMAP') IF KEYWORD_SET(StellarModel) THEN BEGIN shmmap[0] = TEMPORARY([DOUBLE(ri), $ (*self.data).frequency, $ (*self.data).intensity, $ DBLARR(self.nuids, /NOZERO), $ DBLARR(self.nuids, /NOZERO), $ DBLARR(self.nuids, /NOZERO), $ DOUBLE((*self.database).data.species[select].nc), $ DOUBLE((*self.database).data.species[select].charge), $ DOUBLE(N_ELEMENTS(StarModel)), $ StarModel.frequency, $ StarModel.intensity]) Ein = 0 ENDIF ELSE BEGIN shmmap[0] = TEMPORARY([DOUBLE(ri), $ (*self.data).frequency, $ (*self.data).intensity, $ DBLARR(self.nuids), $ DBLARR(self.nuids), $ DBLARR(self.nuids), $ DOUBLE((*self.database).data.species[select].nc), $ DOUBLE((*self.database).data.species[select].charge)]) IF NOT KEYWORD_SET(ISRF) THEN Ein = E $ ELSE Ein = 0D ENDELSE n_bridges = !CPU.HW_NCPU IF self.nuids LT n_bridges THEN n_bridges = self.nuids COMMON AmesPAHdbIDLSuite_IDLBridge_C, uids, nuids, i, timer_start uids = *self.uids nuids = self.nuids i = 0 timer_start = SYSTIME(/SECONDS) IDLBridges = OBJARR(n_bridges) FOR i = 0, n_bridges - 1 DO BEGIN IDLBridges[i] = OBJ_NEW('IDL_IDLBridge', $ CALLBACK='AmesPAHdbIDLSuite_Transitions__IDLBridge_Callback', $ OUTPUT=OBJ_CLASS(self) + STRING(FORMAT='("_IDLBridge_Core",I0,".txt")',i + 1)) IDLBridges[i].SetVar,'energy',Ein IDLBridges[i]->Execute,"@" + PREF_GET('IDL_STARTUP') ENDFOR cmd = 'RESOLVE_ROUTINE,"AmesPAHdbIDLSuite_Transitions__DEFINE",/COMPILE_FULL_FILE & ' + $ 'COMMON IDLBridge__AmesPAHData, shmmap, n_ri, ri, n_data, n_uids, i, E, doApproximate, doStar, doISRF, doConvolved, doStellarModel & ' + $ 'SHMMAP,"AmesPAHdbIDLSuite_SHMMAP",' + STRING(shmmap_size) + ',/DOUBLE & ' + $ 'shmmap = SHMVAR("AmesPAHdbIDLSuite_SHMMAP") & ' + $ 'n_ri = ' + STRING(n_ri) + ' & ' + $ 'ri = LONG(shmmap[0L:n_ri-1L]) &' + $ 'n_data = ' + STRING(n_data) + ' & ' + $ 'n_uids = ' + STRING(self.nuids) + ' & ' + $ 'E = energy & ' + $ 'doApproximate =' + STRING(KEYWORD_SET(Approximate)) + ' & ' + $ 'doStar =' + STRING(KEYWORD_SET(Star)) + ' & ' + $ 'doISRF =' + STRING(KEYWORD_SET(ISRF)) + ' & ' + $ 'doConvolved =' + STRING(KEYWORD_SET(Convolved)) + ' & ' + $ 'doStellarModel =' + STRING(KEYWORD_SET(StellarModel)) + ' & ' + $ 'COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel & ' + $ 'IF (doStar OR doISRF) AND doStellarModel THEN ' + $ 'BEGIN & ' + $ 'StarModel = REPLICATE({AmesPAHdb_StellarModel_S, frequency:0D, intensity:0D}, shmmap[n_ri+2L*n_data+5L*n_uids]) & ' + $ 'StarModel.frequency = shmmap[n_ri+2L*n_data+5L*n_uids+1L:n_ri+2L*n_data+5*n_uids+shmmap[n_ri+2L*n_data+5L*n_uids]] & ' + $ 'StarModel.intensity = shmmap[n_ri+2L*n_data+5L*n_uids+shmmap[n_ri+2L*n_data+5L*n_uids]+1L:*] & ' + $ 'ENDIF & ' + $ '!EXCEPT = 0' FOR i = 0, n_bridges - 1 DO $ IDLBridges[i]->Execute,cmd + STRING(FORMAT='(" & AmesPAHdbIDLSuite_Transitions__IDLBridge_Execute,",I,",",I)', (*self.uids)[i], i),/NOWAIT PRINT PRINT,"=========================================================" digits = STRTRIM(STRING(FIX(ALOG10(self.nuids)) + 1), 2) PRINT,FORMAT='("SPECIES :",X,' + digits + '("-"),"/",' + digits + '("-"),$)' status = INTARR(n_bridges) WHILE 1 DO BEGIN FOR j = 0, n_bridges - 1 DO status[j] = IDLBridges[j]->Status() IF TOTAL(status, /INTEGER) EQ 0 THEN BREAK WAIT,0.25 ENDWHILE PRINT PRINT,"=========================================================" PRINT OBJ_DESTROY,IDLBridges (*self.data).intensity = shmmap[n_ri+n_data:n_ri+2L*n_data-1L] * (*self.data).frequency^3 (*self.model).Temperature.uid = *self.uids (*self.model).Temperature.T = shmmap[n_ri+2L*n_data:n_ri+2L*n_data+self.nuids-1L] (*self.model).Energy.uid = *self.uids (*self.model).Energy.E = shmmap[n_ri+2L*n_data+self.nuids:n_ri+2L*n_data+2L*self.nuids-1L] (*self.model).Energy.sigma = shmmap[n_ri+2L*n_data+2L*self.nuids:n_ri+2L*n_data+3L*self.nuids-1L] SHMUNMAP,'AmesPAHdbIDLSuite_SHMMAP' END ;+ ; Applies the Cascade emission model. ; ; :Params: ; 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 ; ; :Categories: ; EMISSION MODEL ;- PRO AmesPAHdbIDLSuite_Transitions::Cascade,E,Approximate=Approximate,IDLBridge=IDLBridge,Star=Star,ISRF=ISRF,Convolved=Convolved,StellarModel=StellarModel,Cache=Cache COMPILE_OPT IDL2 ON_ERROR,2 IF SIZE(Cache, /TYPE) EQ 0 THEN Cache = 1B IF Cache THEN BEGIN hash = self.HashCode({E:E, approximate:KEYWORD_SET(Approximate), $ star:KEYWORD_SET(Star), $ isrf:KEYWORD_SET(ISRF), $ convolved:KEYWORD_SET(Convolved), $ stellar_model:KEYWORD_SET(StellarModel) ? StellarModel : 0B, $ data:self->Get()}) file_cache = STRING(FORMAT='(A0,z0,".sav")', AmesPAHdbIDLSuite->Cache_DIR(), hash) IF FILE_TEST(file_cache, /READ) THEN BEGIN PRINT PRINT,"=========================================================" PRINT," RESTORING CACHED CASCADE RESULTS ("+STRING(FORMAT='(Z8)', hash)+")" PRINT,"=========================================================" PRINT RESTORE,file_cache self->Set,t_s,PAHdb=self.database RETURN ENDIF ENDIF IF self.type NE 'theoretical' AND NOT KEYWORD_SET(Approximate) THEN BEGIN PRINT PRINT,"=========================================================" PRINT," THEORETICAL DATABASE REQUIRED FOR EMISSION MODEL " PRINT,"=========================================================" PRINT self.state = 0 RETURN ENDIF IF (KEYWORD_SET(Star) OR KEYWORD_SET(ISRF)) AND NOT PTR_VALID(self.database) THEN BEGIN PRINT PRINT,"=========================================================" PRINT," VALID DATABASE POINTER NEEDED FOR USE WITH STAR/ISRF " PRINT,"=========================================================" PRINT self.state = 0 RETURN ENDIF IF PTR_VALID(self.model) THEN BEGIN IF (*self.model).type NE 'AMESPAHDBIDLSUITE_MODEL_ZEROKELVIN_S' THEN BEGIN PRINT PRINT,"=========================================================" PRINT," AN EMISSION MODEL HAS ALREADY BEEN APPLIED: "+(*self.model).type PRINT,"=========================================================" PRINT self.state = 0 RETURN ENDIF PTR_FREE,self.model ENDIF PRINT PRINT,"=========================================================" PRINT," APPLYING CASCADE EMISSION MODEL " PRINT,"=========================================================" PRINT COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel TStar = 0D IF KEYWORD_SET(Star) AND KEYWORD_SET(StellarModel) THEN BEGIN PRINT PRINT,"=========================================================" PRINT," STELLAR MODEL SELECTED: USING FIRST PARAMETER AS MODEL " PRINT,"=========================================================" PRINT TStar = (4D * !DPI * INT_TABULATED(E.frequency, E.intensity) / 5.67040D-5)^(0.25) select = WHERE(E.frequency GE 2.5D3 AND E.frequency LE 1.1D5, nselect) IF nselect EQ 0 THEN BEGIN PRINT PRINT,"=========================================================" PRINT," STELLAR MODEL HAS NO DATA BETWEEN 2.5E3-1.1E5 /cm " PRINT,"=========================================================" PRINT self.state = 0 RETURN ENDIF PRINT PRINT,"=========================================================" PRINT," REBINNING STELLAR MODEL: 100 POINTS " PRINT,"=========================================================" PRINT StarModel = REPLICATE({AmesPAHdb_StellarModel_S, $ frequency:0D, $ intensity:0D}, 100) StarModel.frequency = CONGRID(E[select].frequency, 100) StarModel.intensity = CONGRID(E[select].intensity, 100) PRINT PRINT,"=========================================================" PRINT," CALCULATED EFFECTIVE TEMPERATURE: "+STRING(FORMAT='(I0,$)', TStar)+" Kelvin" PRINT,"=========================================================" PRINT ENDIF ELSE IF KEYWORD_SET(Star) THEN BEGIN TStar = E PRINT PRINT,"=========================================================" PRINT," BLACKBODY TEMPERATURE: "+STRING(FORMAT='(I0,$)', TStar)+" Kelvin" PRINT,"=========================================================" PRINT END IF KEYWORD_SET(ISRF) AND N_PARAMS() GT 0 THEN BEGIN PRINT PRINT,"=========================================================" PRINT," ISRF SELECTED: IGNORING FIRST PARAMETER " PRINT,"=========================================================" PRINT ENDIF IF (KEYWORD_SET(ISRF) OR KEYWORD_SET(Star)) AND KEYWORD_SET(Convolved) THEN BEGIN PRINT PRINT,"=========================================================" PRINT," CONVOLVING WITH ENTIRE RADIATION FIELD " PRINT,"=========================================================" PRINT ENDIF self.model = PTR_NEW({type:'AMESPAHDBIDLSUITE_MODEL_CASCADE_S', $ Energy:REPLICATE({AmesPAHdbIDLSuite_Energy_S, $ uid:0L, $ E:0D, $ sigma:0D}, self.nuids), $ Temperature:REPLICATE({AmesPAHdbIDLSuite_Temperature_S, $ uid:0L, $ T:0D}, self.nuids), $ Approximate:KEYWORD_SET(Approximate), $ Star:KEYWORD_SET(Star), $ ISRF:KEYWORD_SET(ISRF), $ Convolved:KEYWORD_SET(Convolved), $ StellarModel:KEYWORD_SET(StellarModel), $ TStar:TStar, $ description:''}) self.units.ordinate = {AmesPAHdb_Unit_S, $ unit:3, $ str:'integrated radiant energy [erg/PAH]'} description = [STRING(FORMAT='(A-12,":",X,A-0)', "model", "Cascade"), $ STRING(FORMAT='(A-12,":",X,A-0)', "approximated", KEYWORD_SET(Approximate) ? "yes" : "no")] IF (*self.model).ISRF THEN description = [description, STRING(FORMAT='(A-12,":",X,A-0)', "ISRF", "yes"), $ STRING(FORMAT='(A-12,":",X,A-0)', "|_convolved", (*self.model).convolved ? "yes" : "no")] $ ELSE IF (*self.model).star THEN description = [description, STRING(FORMAT='(A-12,":",X,A-0)', "star", "yes"), $ STRING(FORMAT='(A-12,": ")', "|_Tstar")+STRING(FORMAT='(I0)', (*self.model).Tstar)+" Kelvin", $ STRING(FORMAT='(A-12,":",X,A-0)', "|_modelled", KEYWORD_SET(StellarModel) ? "yes" : "no"), $ STRING(FORMAT='(A-12,":",X,A-0)', "|_convolved", (*self.model).convolved ? "yes" : "no")] $ ELSE description = [description, STRING(FORMAT='(A-12,": ")', "")+STRTRIM(STRING(FORMAT='(g-8.2)', E / 1.6021765D-12),2)+" eV"] (*self.model).description = STRJOIN(description, "!C") IF SIZE(IDLBridge, /TYPE) EQ 0 THEN IDLBridge = 1 IF IDLBridge AND !CPU.HW_NCPU GT 1 AND self.nuids GT 1 THEN BEGIN PRINT PRINT,"=========================================================" PRINT," USING IDL_IDLBRIDGE " PRINT,"=========================================================" PRINT self->Cascade_IDLBridge,E,Approximate=Approximate,Star=Star,ISRF=ISRF,Convolved=Convolved,StellarModel=StellarModel GOTO,FINISH ENDIF IF KEYWORD_SET(Approximate) THEN BEGIN PRINT PRINT,"=========================================================" PRINT," USING APPROXIMATION " PRINT,"=========================================================" PRINT func1 = 'ApproximateAttainedTemperatureFunc__AmesPAHdbIDLSuite' func2 = 'ApproximateFeatureStrengthFunc__AmesPAHdbIDLSuite' IF KEYWORD_SET(Convolved) THEN BEGIN IF KEYWORD_SET(ISRF) THEN func3 = 'ISRFApproximateFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite' $ ELSE IF KEYWORD_SET(StellarModel) THEN func3 = 'StellarModelApproximateFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite' $ ELSE func3 = 'PlanckApproximateFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite' ENDIF ENDIF ELSE BEGIN func1 = 'AttainedTemperatureFunc__AmesPAHdbIDLSuite' func2 = 'FeatureStrengthFunc__AmesPAHdbIDLSuite' IF KEYWORD_SET(Convolved) THEN BEGIN IF KEYWORD_SET(ISRF) THEN func3 = 'ISRFFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite' $ ELSE IF KEYWORD_SET(StellarModel) THEN func3 = 'StellarModelFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite' $ ELSE func3 = 'PlanckFeatureStrengthConvolvedFunc__AmesPAHdbIDLSuite' ENDIF ENDELSE _e = !EXCEPT !EXCEPT = 0 PRINT PRINT,"=========================================================" h = HISTOGRAM((*self.data).uid, MIN=0, REVERSE_INDICES=ri) FOR i = 0L, self.nuids - 1L DO BEGIN uid = (*self.uids)[i] timer = SYSTIME(/SECONDS) PRINT,FORMAT='("SPECIES :",X,I5,"/",I5)',i+1,self.nuids PRINT,FORMAT='("UID :",X,I5)',uid IF KEYWORD_SET(Approximate) OR KEYWORD_SET(Star) OR KEYWORD_SET(ISRF) THEN BEGIN select = WHERE((*self.database).data.species.uid EQ uid) nc = (*self.database).data.species[select].nc charge = (*self.database).data.species[select].charge ENDIF IF KEYWORD_SET(Star) OR KEYWORD_SET(ISRF) THEN BEGIN Ein = MeanEnergyFunc__AmesPAHdbIDLSuite(ISRF=ISRF, StellarModel=StellarModel) (*self.model).energy[i].sigma = SQRT(MeanEnergySquaredFunc__AmesPAHdbIDLSuite(ISRF=ISRF, StellarModel=StellarModel) - Ein^2) IF KEYWORD_SET(Convolved) THEN NPhot = NumberOfPhotonsFunc__AmesPAHdbIDLSuite(ISRF=ISRF, StellarModel=StellarModel) ENDIF ELSE Ein = E (*self.model).energy[i].uid = uid (*self.model).energy[i].E = Ein PRINT,"MEAN ABSORBED ENERGY : "+STRTRIM(STRING(FORMAT='(G-8.4)',(*self.model).energy[i].E / 1.6021765D-12), 2)+" +/- "+STRTRIM(STRING(FORMAT='(G8.4)', (*self.model).energy[i].sigma / 1.6021765D-12),2)+" eV" select = ri[ri[(*self.uids)[i]]:ri[(*self.uids)[i]+1]-1] frequencies = (*self.data)[select].frequency intensities = (*self.data)[select].intensity d = intensities (*self.model).temperature[i].uid = uid (*self.model).temperature[i].T = FX_ROOT([2.73D, 2500, 5000], func1, /DOUBLE, TOL=1D-5) PRINT,"MAXIMUM ATTAINED TEMPERATURE : "+STRTRIM(STRING(FORMAT='(G-8.4)', (*self.model).temperature[i].T),2)+" Kelvin" IF (KEYWORD_SET(Star) OR KEYWORD_SET(ISRF)) AND KEYWORD_SET(Convolved) THEN BEGIN FOR j = 0L, h[uid] - 1L DO BEGIN IF intensities[j] EQ 0 THEN CONTINUE frequency = frequencies[j] d[j] *= QROMB(func3, 2.5D3, 1.1D5, K=7, EPS=1D-6) ENDFOR d /= NPhot ENDIF ELSE BEGIN FOR j = 0L, h[uid] - 1L DO BEGIN IF intensities[j] EQ 0 THEN CONTINUE frequency = frequencies[j] d[j] *= QROMB(func2, 2.73D, (*self.model).temperature[i].T, K=7, EPS=1D-6) ENDFOR ENDELSE IF NOT KEYWORD_SET(Approximate) THEN d *= frequencies^3 $ ; [erg] ELSE d *= 2.48534271218563D-23 * nc * frequencies^3 / TOTAL(intensities) ; [erg] (*self.data)[select].intensity = d PRINT,FORMAT='("ENERGY CONSERVATION IN SPECTRUM :",X,G-7.2)', TOTAL((*self.data)[select].intensity) / (*self.model).energy[i].E timer = SYSTIME(/SECONDS) - timer IF timer LT 1.0 THEN PRINT,FORMAT='("TIME :",X,I-3,X,"MILLISECONDS")', timer*1E3 $ ELSE IF timer LT 60 THEN PRINT,FORMAT='("TIME :",X,I02,X,"SECONDS")', timer $ ELSE IF timer LT 3600 THEN PRINT,FORMAT='("TIME :",X,I02,X,"MINUTES",X,I02,X,"SECONDS")', timer / 60.0, timer MOD 60 $ ELSE IF timer LT 86400 THEN PRINT,'("TIME :",X,I02,X,"HOURS",X,I02,X,"MINUTES",X,I02,X"SECONDS")', timer / 3600.0, (timer MOD 3600) / 60.0, (timer MOD 3600) MOD 60 $ ELSE PRINT,'("TIME :",X,I3,X,"DAYS",X,I02,X,"HOURS",X,I02,X,"MINUTES")', timer / 86400.0, (timer MOD 86400) / 3600.0, (timer MOD 86400) MOD 3600 ENDFOR PRINT,"=========================================================" PRINT !EXCEPT = _e FINISH: IF Cache THEN BEGIN PRINT PRINT,"=========================================================" PRINT," CACHING CASCADE RESULTS ("+STRING(FORMAT='(Z8)', hash)+")" PRINT,"=========================================================" PRINT t_s = self->Get() SAVE,FILENAME=file_cache,t_s ENDIF END ;+ ; Applies the Calculated Temperature emission model ; ; :Params: ; 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 ; ; :Categories: ; EMISSION MODEL ;- PRO AmesPAHdbIDLSuite_Transitions::CalculatedTemperature,E,Approximate=Approximate,Star=Star,ISRF=ISRF,StellarModel=StellarModel COMPILE_OPT IDL2 ON_ERROR,2 IF self.type NE 'theoretical' THEN BEGIN PRINT PRINT,"=========================================================" PRINT," THEORETICAL DATABASE REQUIRED FOR EMISSION MODEL " PRINT,"=========================================================" PRINT self.state = 0 RETURN ENDIF IF (KEYWORD_SET(Star) OR KEYWORD_SET(ISRF)) AND NOT PTR_VALID(self.database) THEN BEGIN PRINT PRINT,"=========================================================" PRINT," VALID DATABASE POINTER NEEDED FOR USE WITH STAR/ISRF " PRINT,"=========================================================" PRINT self.state = 0 RETURN ENDIF IF PTR_VALID(self.model) THEN BEGIN IF (*self.model).type NE 'AMESPAHDBIDLSUITE_MODEL_ZEROKELVIN_S' THEN BEGIN PRINT PRINT,"=========================================================" PRINT," AN EMISSION MODEL HAS ALREADY BEEN APPLIED: "+(*self.model).type PRINT,"=========================================================" PRINT self.state = 0 RETURN ENDIF PTR_FREE,self.model ENDIF PRINT PRINT,"=========================================================" PRINT," APPLYING CALCULATED TEMPERATURE EMISSION MODEL " PRINT,"=========================================================" PRINT COMMON AmesPAHdbIDLSuite_Models_C, nc, charge, Ein, frequencies, intensities, TStar, frequency, StarModel TStar = 0D IF KEYWORD_SET(Star) AND KEYWORD_SET(StellarModel) THEN BEGIN PRINT PRINT,"=========================================================" PRINT," STELLAR MODEL SELECTED: USING FIRST PARAMETER AS MODEL " PRINT,"=========================================================" PRINT TStar = (4D * !DPI * INT_TABULATED(E.frequency, E.intensity) / 5.67040D-5)^(0.25) select = WHERE(E.frequency GE 2.5D3 AND E.frequency LE 1.1D5, nselect) IF nselect EQ 0 THEN BEGIN PRINT PRINT,"=========================================================" PRINT," STELLAR MODEL HAS NO DATA BETWEEN 2.5E3-1.1E5 /cm " PRINT,"=========================================================" PRINT self.state = 0 RETURN ENDIF PRINT PRINT,"=========================================================" PRINT," REBINNING STELLAR MODEL: 100 POINTS " PRINT,"=========================================================" PRINT StarModel = REPLICATE({AmesPAHdbIDL_StellarModel_S, $ frequency:0D, $ intensity:0D}, 100) StarModel.frequency = CONGRID(E[select].frequency, 100) StarModel.intensity = CONGRID(E[select].intensity, 100) PRINT PRINT,"=========================================================" PRINT," CALCULATED EFFECTIVE TEMPERATURE: "+STRING(FORMAT='(G7.2,$)', TStar)+" Kelvin" PRINT,"=========================================================" PRINT ENDIF ELSE IF KEYWORD_SET(Star) THEN TStar = E IF KEYWORD_SET(ISRF) AND N_PARAMS() GT 0 THEN BEGIN PRINT PRINT,"=========================================================" PRINT," ISRF SELECTED: IGNORING FIRST PARAMETER " PRINT,"=========================================================" PRINT ENDIF self.model = PTR_NEW({type:'AMESPAHDBIDLSUITE_MODEL_CALCULATEDTEMPERATURE_S', $ Energy:REPLICATE({AmesPAHdbIDLSuite_Energy_S, $ uid:0L, $ E:0D, $ sigma:0D}, self.nuids), $ Temperature:REPLICATE({AmesPAHdbIDLSuite_Temperature_S, $ uid:0L, $ T:0D}, self.nuids), $ Approximate:KEYWORD_SET(Approximate), $ Star:KEYWORD_SET(Star), $ ISRF:KEYWORD_SET(ISRF), $ StellarModel:KEYWORD_SET(StellarModel), $ TStar:TStar, $ description:''}) self.units.ordinate = {AmesPAHdb_Unit_S, $ unit:2, $ str:'integrated spectral radiance [erg/s/PAH]'} IF KEYWORD_SET(Approximate) THEN func = 'ApproximateAttainedTemperatureFunc__AmesPAHdbIDLSuite' $ ELSE func = 'AttainedTemperatureFunc__AmesPAHdbIDLSuite' _e = !EXCEPT !EXCEPT = 0 PRINT PRINT,"=========================================================" h = HISTOGRAM((*self.data).uid, MIN=0, REVERSE_INDICES=ri) FOR i = 0L, self.nuids - 1L DO BEGIN timer = SYSTIME(/SECONDS) PRINT,FORMAT='("SPECIES :",X,I5,"/",I5)',i+1,self.nuids PRINT,FORMAT='("UID :",X,I5)',(*self.uids)[i] IF KEYWORD_SET(Approximate) OR KEYWORD_SET(Star) OR KEYWORD_SET(ISRF) THEN BEGIN select = WHERE((*self.database).data.species.uid EQ (*self.uids)[i]) nc = (*self.database).data.species[select].nc charge = (*self.database).data.species[select].charge ENDIF IF KEYWORD_SET(Star) OR KEYWORD_SET(ISRF) THEN BEGIN Ein = MeanEnergyFunc__AmesPAHdbIDLSuite(ISRF=ISRF, StellarModel=StellarModel) (*self.model).energy[i].sigma = SQRT(MeanEnergySquaredFunc__AmesPAHdbIDLSuite(ISRF=ISRF, StellarModel=StellarModel) - Ein^2) ENDIF ELSE Ein = E (*self.model).energy[i].uid = (*self.uids)[i] (*self.model).energy[i].E = Ein PRINT,"MEAN ABSORBED ENERGY : "+STRTRIM(STRING(FORMAT='(G-8.4)',(*self.model).energy[i].E / 1.6021765D-12), 2)+" +/- "+STRTRIM(STRING(FORMAT='(G8.4)', (*self.model).energy[i].sigma / 1.6021765D-12),2)+" eV" select = ri[ri[(*self.uids)[i]]:ri[(*self.uids)[i]+1]-1] frequencies = (*self.data)[select].frequency (*self.model).temperature[i].uid = (*self.uids)[i] (*self.model).temperature[i].T = FX_ROOT([2.73D, 2500, 5000], func, /DOUBLE, TOL=1D-5) PRINT,"MAXIMUM ATTAINED TEMPERATURE : "+STRTRIM(STRING(FORMAT='(G-8.4)', (*self.model).temperature[i].T),2)+" Kelvin" (*self.data)[select].intensity *= 2.4853427121856266D-23 * (*self.data)[select].frequency^3 / (EXP(1.4387751297850830401D * (*self.data)[select].frequency / (*self.model).temperature[i].T) - 1D) timer = SYSTIME(/SECONDS) - timer IF timer LT 1.0 THEN PRINT,FORMAT='("TIME :",X,I-3,X,"MILLISECONDS")', timer*1E3 $ ELSE IF timer LT 60 THEN PRINT,FORMAT='("TIME :",X,I02,X,"SECONDS")', timer $ ELSE IF timer LT 3600 THEN PRINT,FORMAT='("TIME :",X,I02,X,"MINUTES",X,I02,X,"SECONDS")', timer / 60.0, timer MOD 60 $ ELSE IF timer LT 86400 THEN PRINT,'("TIME :",X,I02,X,"HOURS",X,I02,X,"MINUTES",X,I02,X"SECONDS")', timer / 3600.0, (timer MOD 3600) / 60.0, (timer MOD 3600) MOD 60 $ ELSE PRINT,'("TIME :",X,I3,X,"DAYS",X,I02,X,"HOURS",X,I02,X,"MINUTES")', timer / 86400.0, (timer MOD 86400) / 3600.0, (timer MOD 86400) MOD 3600 ENDFOR PRINT,"=========================================================" PRINT description = [STRING(FORMAT='(A-11,X,":",X,A-0)', "model", "CalculatedTemperature"), $ STRING(FORMAT='(A-11,X,":",X,A-0)', "approximated", KEYWORD_SET(Approximate) ? "yes" : "no")] IF (*self.model).ISRF THEN description = [description, STRING(FORMAT='(A-12,":",X,A-0)', "ISRF", "yes")] $ ELSE IF (*self.model).star THEN description = [description, STRING(FORMAT='(A-12,":",X,A-0)', "star", "yes"), $ STRING(FORMAT='(A-12,": ")', "|_Tstar")+STRING(FORMAT='(I0)', (*self.model).Tstar)+" Kelvin", $ STRING(FORMAT='(A-12,":",X,A-0)', "|_modelled", KEYWORD_SET(StellarModel) ? "yes" : "no")] $ ELSE description = [description, STRING(FORMAT='(A-12,": ")', "")+STRTRIM(STRING(FORMAT='(g-8.2)', Ein / 1.6021765D-12),2)+" eV"] (*self.model).description = STRJOIN(description, "!C") !EXCEPT = _e END ;+ ; Applies the Fixed Temperature emission model ; ; :Params: ; Temperature: in, required, type=double ; Excitation temperature in Kelvin ; ; :Categories: ; EMISSION MODEL ;- PRO AmesPAHdbIDLSuite_Transitions::FixedTemperature,Temperature COMPILE_OPT IDL2 ON_ERROR,2 IF PTR_VALID(self.model) THEN BEGIN IF (*self.model).type NE 'AMESPAHDBIDLSUITE_MODEL_ZEROKELVIN_S' THEN BEGIN PRINT PRINT,"=========================================================" PRINT," AN EMISSION MODEL HAS ALREADY BEEN APPLIED: "+(*self.model).type PRINT,"=========================================================" PRINT self.state = 0 RETURN ENDIF PTR_FREE,self.model ENDIF PRINT PRINT,"=========================================================" PRINT," APPLYING FIXED TEMPERATURE EMISSION MODEL " PRINT,"=========================================================" PRINT _e = !EXCEPT !EXCEPT = 0 self.units.ordinate = {AmesPAHdb_Unit_S, $ unit:3, $ str:'integrated spectral radiance [erg/s/PAH]'} (*self.data).intensity *= 2.4853427121856266D-23 * (*self.data).frequency^3 / (EXP(1.4387751297850830401D * (*self.data).frequency / Temperature) - 1D) self.model = PTR_NEW({type:'AMESPAHDBIDLSUITE_MODEL_FIXEDTEMPERATURE_S', $ Temperature:REPLICATE({AmesPAHdbIDLSuite_Temperature_S, $ uid:0L, $ T:0D}, self.nuids), $ description:''}) (*self.model).Temperature.uid = *self.uids (*self.model).Temperature.T = Temperature description = [STRING(FORMAT='(A-12,":",X,A-0)', "model", "FixedTemperature") , $ STRING(FORMAT='(A-12,": ")', "temperature")+STRTRIM(STRING(FORMAT='(g-8.3)', Temperature),2)+" Kelvin"] (*self.model).description = STRJOIN(description, "!C") !EXCEPT = _e END ;+ ; Shifts the band positions. ; ; :Params: ; Shift: in, required, type=double ; Shift in wavenumbers ; ; :Categories: ; EMISSION MODEL ;- PRO AmesPAHdbIDLSuite_Transitions::Shift,Shift COMPILE_OPT IDL2 ON_ERROR,2 IF PTR_VALID(self.data) THEN BEGIN self.shift += Shift (*self.data).frequency += self.shift ENDIF PRINT PRINT,"=========================================================" PRINT," TOTAL SHIFT:", self.shift, " /cm" PRINT,"=========================================================" PRINT END ;+ ; Callback function to calculate an anharmonic Gaussian emission ; profile. ; ; :Returns: ; double array ; ; :Params: ; T: in, required, type=double ; Excitation temperature in Kelvin ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION GaussianFunc__AmesPAHdbIDLSuite,T COMPILE_OPT IDL2, HIDDEN ON_ERROR,2 ; Pech et al. 2002, A&A, 388, 639-651 COMMON AmesPAHdbIDLSuite_Anharmonics_C, frequencies, nu0, nu, gamma, nc, Tmax, ref_freq, ref_e, ref_shift, ref_width, ref_ifreq, ref_ie x0 = nu0 - (0.0115D + 0.000942D * nc) * T width = (11D - 0.004D * nu0) + 5D-3 * T ;i = INTERPOL(ref_ifreq, ref_freq, nu0) ;j = INTERPOL(ref_ie, ref_e, TOTAL(frequencies / (EXP(1.4387751D * frequencies / T) - 1D))) ; /cm ;x0 = nu0 - INTERPOLATE(ref_shift, i, j) ;width = INTERPOLATE(ref_width, i, j) IF ABS(nu - x0) GE 11D * width THEN RETURN,0D RETURN,nu^3 * (1D / (width * SQRT(2D * !DPI))) * EXP(-(nu - x0)^2 / (2D * width^2)) / (EXP(1.4387751297850830401D * nu / T) - 1D) END ;+ ; Callback function to calculate an anharmonic Drude emission ; profile. ; ; :Returns: ; double array ; ; :Params: ; T: in, required, type=double ; Excitation temperature in Kelvin ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION DrudeFunc__AmesPAHdbIDLSuite,T COMPILE_OPT IDL2, HIDDEN ON_ERROR,2 ; Pech et al. 2002, A&A, 388, 639-651 COMMON AmesPAHdbIDLSuite_Anharmonics_C, frequencies, nu0, nu, gamma, nc, Tmax, ref_freq, ref_e, ref_shift, ref_width, ref_ifreq, ref_ie ;x0 = nu0 - (0.0115D + 0.000942D * nc) * T ;width = (11D - 0.004D * nu0) + 5D-3 * T i = INTERPOL(ref_ifreq, ref_freq, nu0) j = INTERPOL(ref_ie, ref_e, TOTAL(frequencies / (EXP(1.4387751D * frequencies / T) - 1D))) ; /cm x0 = nu0 - INTERPOLATE(ref_shift, i, j) width = INTERPOLATE(ref_width, i, j) frac_width = width / x0 RETURN,nu^3 * (2D / (!DPI * x0 * width)) * frac_width^2 / ((nu / x0 - x0 / nu)^2 + frac_width^2) / (EXP(1.4387751297850830401D * nu / T) - 1D) END ;+ ; Callback function to calculate an anharmonic Lorentzian emission ; profile. ; ; :Returns: ; double array ; ; :Params: ; T: in, required, type=double ; Excitation temperature in Kelvin ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION LorentzianFunc__AmesPAHdbIDLSuite,T COMPILE_OPT IDL2, HIDDEN ON_ERROR,2 ; Pech et al. 2002, A&A, 388, 639-651 COMMON AmesPAHdbIDLSuite_Anharmonics_C, frequencies, nu0, nu, gamma, nc, Tmax, ref_freq, ref_e, ref_shift, ref_width, ref_ifreq, ref_ie ;x0 = nu0 - (0.0115D + 0.000942D * nc) * T ;width = (11D - 0.004D * nu0) + 5D-3 * T i = INTERPOL(ref_ifreq, ref_freq, nu0) j = INTERPOL(ref_ie, ref_e, TOTAL(frequencies / (EXP(1.4387751D * frequencies / T) - 1D))) ; /cm x0 = nu0 - INTERPOLATE(ref_shift, i, j) width = INTERPOLATE(ref_width, i, j) RETURN,nu^3 * width / (EXP(1.4387751297850830401D * nu / T) - 1D) / ((nu - x0)^2 + width^2) END ;+ ; Function to calculate an anharmonic Lorentzian line profile. ; ; :Returns: ; double array ; ; :Params: ; x: in, required, type=double ; Excitation temperature in Kelvin ; x0: in, required, type=double ; Excitation temperature in Kelvin ; width: in, required, type=double ; Excitation temperature in Kelvin ; ; :Keywords: ; Gaussian: in, optional, type=int ; Whether to use a Gaussian line profile ; Drude: in, optional, type=int ; Whether to use a Drude line profile ; Conserve: in, optional, type=int ; Whether to force integrated area to one ; Anharmonics: in, optional, type=int ; Whether to emulate anharmonics ; ; :Categories: ; EMISSION MODEL ; ; :Private: ;- FUNCTION AmesPAHdbIDLSuite_Transitions::LineProfile,x,x0,width,Gaussian=Gaussian,Drude=Drude,Conserve=Conserve,Anharmonics=Anharmonics COMPILE_OPT IDL2, HIDDEN ON_ERROR,2 IF NOT KEYWORD_SET(Anharmonics) THEN BEGIN IF KEYWORD_SET(Gaussian) THEN BEGIN profile = (1D / (width * SQRT(2D * !DPI))) * EXP(-(x - x0)^2 / (2D * width^2)) ENDIF ELSE IF KEYWORD_SET(Drude) THEN BEGIN frac_width = width / x0 profile = (2D / (width * !DPI)) * frac_width^2 / ((x / x0 - x0 / x)^2 + frac_width^2) ENDIF ELSE BEGIN profile = (width / !DPI) / ((x - x0)^2 + width^2) ENDELSE IF KEYWORD_SET(CONSERVE) THEN profile /= INT_TABULATED(x, profile) ; area should be one! RETURN,profile ENDIF IF KEYWORD_SET(Gaussian) THEN BEGIN func = 'GaussianFunc__AmesPAHdbIDLSuite' ENDIF ELSE IF KEYWORD_SET(Drude) THEN BEGIN func = 'DrudeFunc__AmesPAHdbIDLSuite' ENDIF ELSE BEGIN func = 'LorentzianFunc__AmesPAHdbIDLSuite' ENDELSE COMMON AmesPAHdbIDLSuite_Anharmonics_C, frequencies, nu0, nu, gamma, nc, Tmax, ref_freq, ref_e, ref_shift, ref_width, ref_ifreq, ref_ie nu0 = x0 / 0.958D gamma = width nx = N_ELEMENTS(x) profile = DBLARR(nx, /NOZERO) FOR i = 0, nx - 1 DO BEGIN nu = x[i] profile[i] = QROMB(func, 2.73D, Tmax, K=7, EPS=1D-2) ENDFOR RETURN,profile / INT_TABULATED(x, profile) ; area should be one! END ;+ ; Convolve transitions with a line profile. ; ; :Returns: ; 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 ; ; :Categories: ; EMISSION MODEL ;- FUNCTION AmesPAHdbIDLSuite_Transitions::Convolve,XRange=XRange,FWHM=FWHM,Npoints=NPoints,Grid=Grid,Conserve=Conserve,Lorentzian=Lorentzian,Gaussian=Gaussian,Drude=Drude,Anharmonics=Anharmonics COMPILE_OPT IDL2 ON_ERROR,2 IF KEYWORD_SET(Conserve) THEN BEGIN PRINT PRINT,"=========================================================" PRINT," CONSERVING INTEGRATED INTENSITY " PRINT,"=========================================================" PRINT ENDIF IF NOT KEYWORD_SET(ANHARMONICS) AND NOT KEYWORD_SET(FWHM) THEN FWHM = 15D IF NOT KEYWORD_SET(GRID) THEN BEGIN IF KEYWORD_SET(XRANGE) THEN xmin = MIN(XRange, MAX=xmax) ELSE BEGIN xmin = 1D & xmax = 4000D ENDELSE IF NOT KEYWORD_SET(NPOINTS) THEN NPoints = 400L x = xmin + (xmax - xmin) * DINDGEN(NPoints) / DOUBLE(NPoints - 1) ENDIF ELSE BEGIN xmin = MIN(Grid, MAX=xmax) x = Grid NPoints = N_ELEMENTS(x) ENDELSE IF KEYWORD_SET(Gaussian) THEN BEGIN IF NOT KEYWORD_SET(ANHARMONICS) THEN BEGIN IF SIZE(FWHM, /TYPE) NE 8 THEN width = fwhm / 2.3548D $ ELSE width = FWHM.fwhm / 2.3548D ENDIF clip = 3D profile = 'Gaussian' PRINT PRINT,"=========================================================" PRINT," USING GAUSSIAN LINE PROFILES " PRINT,"=========================================================" PRINT ENDIF ELSE IF KEYWORD_SET(Drude) THEN BEGIN IF NOT KEYWORD_SET(ANHARMONICS) THEN BEGIN IF SIZE(FWHM, /TYPE) NE 8 THEN width = fwhm $ ELSE width = FWHM.fwhm ENDIF clip = 11D profile = 'Drude' PRINT PRINT,"=========================================================" PRINT," USING DRUDE LINE PROFILES " PRINT,"=========================================================" PRINT ENDIF ELSE BEGIN IF NOT KEYWORD_SET(ANHARMONICS) THEN BEGIN IF SIZE(FWHM, /TYPE) NE 8 THEN width = 0.5D * fwhm $ ELSE width = 0.5 * FWHM.fwhm ENDIF clip = 22D profile = 'Lorentzian' PRINT PRINT,"=========================================================" PRINT," USING LORENTZIAN LINE PROFILES " PRINT,"=========================================================" PRINT ENDELSE PRINT PRINT,"=========================================================" PRINT," GRID: (XMIN,XMAX)=("+STRTRIM(STRING(FORMAT='(G-7.4)',xmin),2)+","+STRTRIM(STRING(FORMAT='(G-7.4)',xmax),2)+"); "+STRTRIM(STRING(FORMAT='(I-5)',NPoints),2)+" POINTS" PRINT,"=========================================================" PRINT IF KEYWORD_SET(Anharmonics) THEN BEGIN profile += " (anharmonic)" IF KEYWORD_SET(FWHM) THEN BEGIN PRINT PRINT,"=========================================================" PRINT," FWHM NOT SUPPORTED WITH ANHARMONICS " PRINT,"=========================================================" PRINT self.state = 0 RETURN,0 ENDIF IF self.type NE 'theoretical' THEN BEGIN PRINT PRINT,"=========================================================" PRINT," THEORETICAL DATABASE REQUIRED FOR ANHARMONICS " PRINT,"=========================================================" PRINT self.state = 0 RETURN, OBJ_NEW() ENDIF IF (*self.model).type EQ 'AMESPAHDBIDLSUITE_MODEL_ZEROKELVIN_S' THEN BEGIN PRINT PRINT,"=========================================================" PRINT," NO EMISSION MODEL HAS BEEN APPLIED: "+(*self.model).type PRINT,"=========================================================" PRINT self.state = 0 RETURN,OBJ_NEW() ENDIF IF self.Shift NE 0 THEN BEGIN PRINT PRINT,"=========================================================" PRINT," A SHIFT HAS ALREADY BEEN APPLIED: "+STRING(FORMAT='(g7.2)', self.Shift)+" /cm" PRINT,"=========================================================" PRINT self.state = 0 RETURN,OBJ_NEW() ENDIF PRINT PRINT,"=========================================================" PRINT," ANHARMONICS IS EXPERIMENTAL - PLEASE USE WITH CARE " PRINT,"=========================================================" PRINT _e = !EXCEPT !EXCEPT = 0 COMMON AmesPAHdbIDLSuite_Anharmonics_C, frequencies, nu0, nu, gamma, nc, Tmax, ref_freq, ref_e, ref_shift, ref_width, ref_ifreq, ref_ie ;RESTORE,'energy_surfaces.sav' ;istart = 168 ;ref_freq = pos_vs_e_x[istart:*,0] ;ref_e = REFORM(tem[0,*]) ;ref_shift = pos_vs_e_fit[istart:*, *] ;ref_width = wid_vs_e_fit_upp[istart:*, *] ;ref_ifreq = DINDGEN(N_ELEMENTS(ref_freq)) ;ref_ie = DINDGEN(N_ELEMENTS(ref_e)) width = 20D digits_s = STRTRIM(STRING(FIX(ALOG10(self.nuids)) + 1), 2) timer_start = SYSTIME(/SECONDS) PRINT PRINT,"=========================================================" PRINT,FORMAT='("SPECIES :",X,' + digits_s + '("-"),"/",' + digits_s + '("-"),$)' ENDIF data = REPLICATE({AmesPAHdbSpectrum_S, $ intensity:0D, $ uid:0L}, self.nuids * NPoints) h = HISTOGRAM((*self.data).uid, MIN=0, REVERSE_INDICES=ri) IF SIZE(FWHM, /TYPE) NE 8 THEN BEGIN IF NOT KEYWORD_SET(Anharmonics) THEN BEGIN PRINT PRINT,"=========================================================" PRINT," FWHM: "+STRING(FORMAT='(G-7.4)',FWHM)+" /cm" PRINT,"=========================================================" PRINT ENDIF FOR i = 0L, self.nuids - 1L DO BEGIN data[i*NPoints:(i + 1)*NPoints-1].uid = (*self.uids)[i] select = ri[ri[(*self.uids)[i]]:ri[(*self.uids)[i]+1]-1] frequency = (*self.data)[select].frequency intensity = (*self.data)[select].intensity d = data[i*NPoints:(i + 1)*NPoints-1].intensity IF KEYWORD_SET(Anharmonics) THEN BEGIN tsel = WHERE((*self.model).temperature.uid EQ (*self.uids)[i], nselect) IF nselect EQ 0 THEN BEGIN PRINT PRINT,"=========================================================" PRINT," TEMPERATURE NOT FOUND FOR SPECIES: UID="+STRING(FORMAT='(I0)',(*self.uids)[i]) PRINT,"=========================================================" PRINT self.state = 0 RETURN,OBJ_NEW() ENDIF Tmax = (*self.model).temperature[tsel].T ssel = WHERE((*self.database).data.species.uid EQ (*self.uids)[i]) nc = DOUBLE((*self.database).data.species[ssel].nc) frequencies = frequency ENDIF fsel = WHERE(frequency GE xmin - clip * width AND $ frequency LE xmax + clip * width, nsel) freq = frequency[fsel] int = intensity[fsel] FOR j = 0L, nsel - 1L DO BEGIN IF int[j] GT 0 THEN $ d += int[j] * self->LineProfile(x, freq[j], width, Gaussian=Gaussian, Drude=Drude, Conserve=Conserve, Anharmonics=Anharmonics) ENDFOR data[i*NPoints:(i + 1)*NPoints-1].intensity = d IF KEYWORD_SET(Anharmonics) THEN BEGIN timer = FLOAT(self.nuids - i - 1L) * FLOAT(SYSTIME(/SECONDS) - timer_start) / FLOAT(i + 1L) IF timer LT 1.0 THEN remaining = STRING(FORMAT='(I03,"ms")', timer * 1E3) $ ELSE IF timer LT 60.0 THEN remaining = STRING(FORMAT='(I02,"s")', timer) $ ELSE IF timer LT 3600.0 THEN remaining = STRING(FORMAT='(I02,"m",I02,"s")', timer / 60, timer MOD 60) $ ELSE IF timer LT 86400.0 THEN remaining = STRING(FORMAT='(I02,"h",I02,"m",I02,"s")', timer / 3600.0, (timer MOD 3600) / 60.0, (timer MOD 3600) MOD 60) $ ELSE remaining = STRING(FORMAT='(I3,"d",I02,"h",I02,"m")', timer / 86400.0, (timer MOD 86400) / 3600.0, (timer MOD 86400) MOD 3600) PRINT,FORMAT='("' + STRING(13B) +'SPECIES :",X,I0' + digits_s + ',"/",I0' + digits_s + ',X,"~",A-10,X,"remaining",$)',i+1L,self.nuids,remaining ENDIF ENDFOR IF KEYWORD_SET(Anharmonics) THEN BEGIN PRINT PRINT,"=========================================================" PRINT !EXCEPT = _e ENDIF ENDIF ELSE BEGIN nregion = N_ELEMENTS(FWHM) PRINT PRINT,"=========================================================" PRINT," USING FWHM SECTIONS: "+STRTRIM(STRING(FORMAT='(I0)',nregion),2) PRINT,"=========================================================" PRINT IF nregion EQ 1L THEN BEGIN FWHM = [FWHM, {treshold:DOUBLE(xmax), fwhm:FWHM[0].fwhm}] width = [width, width] nregion = 2 ENDIF FOR i = 0L, self.nuids - 1L DO BEGIN data[i*NPoints:(i + 1)*NPoints-1].uid = (*self.uids)[i] select = ri[ri[(*self.uids)[i]]:ri[(*self.uids)[i]+1]-1] frequency = (*self.data)[select].frequency intensity = (*self.data)[select].intensity d = data[i*NPoints:(i + 1)*NPoints-1].intensity fsel = WHERE(frequency GE xmin - clip * width[0] AND $ frequency LE FWHM[1].treshold, nsel) freq = frequency[fsel] int = intensity[fsel] FOR k = 0L, nsel - 1L DO BEGIN IF int[k] GT 0 THEN $ d += $ int[k] * self->LineProfile(x, freq[k], width[0], Gaussian=Gaussian, Drude=Drude, Conserve=Conserve, Anharmonics=Anharmonics) ENDFOR FOR j = 1L, nregion - 2L DO BEGIN fsel = WHERE(frequency GE FWHM[j].treshold AND $ frequency LT FWHM[j+1].treshold, nsel) freq = frequency[fsel] int = intensity[fsel] FOR k = 0L, nsel - 1L DO BEGIN IF int[k] GT 0 THEN $ d += $ int[k] * self->LineProfile(x, freq[k], width[j], Gaussian=Gaussian, Drude=Drude, Conserve=Conserve, Anharmonics=Anharmonics) ENDFOR ENDFOR fsel = WHERE(frequency GE FWHM[j].treshold AND $ frequency LT xmax + clip * width[j], nsel) freq = frequency[fsel] int = intensity[fsel] FOR k = 0L, nsel - 1L DO BEGIN IF int[k] GT 0 THEN $ d += $ int[k] * self->LineProfile(x, freq[k], width[j], Gaussian=Gaussian, Drude=Drude, Conserve=Conserve, Anharmonics=Anharmonics) ENDFOR data[i*NPoints:(i + 1)*NPoints-1].intensity = d ENDFOR ENDELSE units = self.units CASE (*self.model).type OF "AMESPAHDBIDLSUITE_MODEL_ZEROKELVIN_S": units.ordinate = {AmesPAHdb_Unit_S, $ unit:3, $ str:'cross-section [x10!U5!N cm!U2!N/mol]'} "AMESPAHDBIDLSUITE_MODEL_FIXEDTEMPERATURE_S": units.ordinate = {AmesPAHdb_Unit_S, $ unit:3, $ str:'spectral radiance [erg/s/cm!U-1!N/PAH]'} "AMESPAHDBIDLSUITE_MODEL_CALCULATEDTEMPERATURE_S": units.ordinate = {AmesPAHdb_Unit_S, $ unit:3, $ str:'spectral radiance [erg/s/cm!U-1!N/PAH]'} "AMESPAHDBIDLSUITE_MODEL_CASCADE_S": units.ordinate = {AmesPAHdb_Unit_S, $ unit:3, $ str:'radiant energy [erg/cm!U-1!N/PAH]'} ENDCASE RETURN,OBJ_NEW('AmesPAHdbIDLSuite_Spectrum', $ Type=self.type, $ Version=self.version, $ Data=data, $ PAHdb=self.database, $ Uids=*self.uids, $ Model=*self.model, $ Units=units, $ Shift=self.shift, $ Grid=x, $ Profile=profile, $ FWHM=fwhm) END ;+ ; Retrieves the AmesPAHdbIDLSuite_Transitions representation in a ; structure. ; ; :Returns: ; Structure ; ; :Categories: ; SET/GET ;- FUNCTION AmesPAHdbIDLSuite_Transitions::Get COMPILE_OPT IDL2 ON_ERROR,2 IF NOT PTR_VALID(self.data) THEN RETURN, 0 struct = self->AmesPAHdbIDLSuite_Data::Get() struct.type = OBJ_CLASS(self)+'_S' RETURN,CREATE_STRUCT(struct, 'shift', self.shift) END ;+ ; Populates the AmesPAHdbIDLSuite_Transitions-instance. ; ; :Params: ; 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 ; ; :Categories: ; SET/GET ;- PRO AmesPAHdbIDLSuite_Transitions::Set,Struct,Type=Type,Version=Version,Data=Data,PAHdb=PAHdb,Uids=Uids,Model=Model,Units=Units,Shift=Shift COMPILE_OPT IDL2 ON_ERROR,2 IF N_PARAMS() GT 0 THEN BEGIN tag = WHERE(TAG_NAMES(Struct) EQ 'TYPE', ntype) IF ntype EQ 1 THEN BEGIN IF Struct.(tag) EQ OBJ_CLASS(self)+'_S' THEN BEGIN IF NOT KEYWORD_SET(Shift) THEN self.shift = Struct.shift self->AmesPAHdbIDLSuite_Data::Set,Struct,Type=Type,Version=Version,Data=Data,PAHdb=PAHdb,Uids=Uids,Model=Model,Units=Units ENDIF ENDIF ENDIF ELSE self->AmesPAHdbIDLSuite_Data::Set,Type=Type,Version=Version,Data=Data,PAHdb=PAHdb,Uids=Uids,Model=Model,Units=Units IF KEYWORD_SET(Shift) THEN self.shift = Shift END ;+ ; Clean-up an AmesPAHdbIDLSuite_Transitions-instance ; ; :Categories: ; CLASS ; ; :Private: ;- PRO AmesPAHdbIDLSuite_Transitions::Cleanup COMPILE_OPT IDL2 ON_ERROR,2 self->AmesPAHdbIDLSuite_Plot::Cleanup self->AmesPAHdbIDLSuite_Data::Cleanup END ;+ ; Create an AmesPAHdbIDLSuite_Transitions-instance ; ; :Returns: ; AmesPAHdbIDLSuite_Transitions-instance ; ; :Params: ; 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 ; ; :Categories: ; CLASS ;- FUNCTION AmesPAHdbIDLSuite_Transitions::Init,Struct,Type=Type,Version=Version,Data=Data,PAHdb=PAHdb,Uids=Uids,Model=Model,Units=Units,Shift=Shift COMPILE_OPT IDL2 ON_ERROR,2 self.state = self->AmesPAHdbIDLSuite_Plot::Init() IF self.state EQ 1 THEN BEGIN IF N_PARAMS() GT 0 THEN self->Set,Struct,Type=Type,Version=Version,Data=Data,PAHdb=PAHdb,Uids=Uids,Model=Model,Units=Units,Shift=Shift $ ELSE self->AmesPAHdbIDLSuite_Transitions::Set,Type=Type,Version=Version,Data=Data,PAHdb=PAHdb,Uids=Uids,Model=Model,Units=Units,Shift=Shift ENDIF RETURN,self.state END ;+ ; Defines the AmesPAHdbIDLSuite_Transitions Class ; ; :Fields: ; shift: type=double ; Applied band shift ; ; :Categories: ; CLASS ; ; :Private: ;- PRO AmesPAHdbIDLSuite_Transitions__DEFINE COMPILE_OPT IDL2 ON_ERROR,2 void = {AmesPAHdbIDLSuite_Transitions, $ INHERITS AmesPAHdbIDLSuite_Plot, $ INHERITS AmesPAHdbIDLSuite_Data, $ shift:0D} END ; END OF amespahdbsuite_transitions__define.pro