rt_tau_reset.cpp

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/* This file is part of Cloudy and is copyright (C)1978-2022 by Gary J. Ferland and
 * others.  For conditions of distribution and use see copyright notice in license.txt */
/*RT_tau_reset after first iteration, updates the optical depths, mirroring this
 * routine but with the previous iteration's variables */
#include "cddefines.h"
#include "taulines.h"
#include "trace.h"
#include "iso.h"
#include "rfield.h"
#include "opacity.h"
#include "h2.h"
#include "geometry.h"
#include "dense.h"
#include "colden.h"
#include "rt.h"
#include "mole.h"

/* ====================================================================== */
/*RT_tau_reset update total optical depth scale, 
 * called by cloudy after iteration is complete */
void RT_tau_reset(void)
{
        long int ipHi, 
          ipISO,
          nelem, 
          ipLo;

        DEBUG_ENTRY( "RT_tau_reset()" );

        if( trace.lgTrace )
        {
                fprintf( ioQQQ, " UPDATE estimating new optical depths\n" );
                if( trace.lgHBug && trace.lgIsoTraceFull[ipH_LIKE] )
                {
                        fprintf( ioQQQ, " New Hydrogen outward optical depths:\n" );
                        for( ipHi=1; ipHi < iso_sp[ipH_LIKE][ trace.ipIsoTrace[ipH_LIKE] ].numLevels_max; ipHi++ )
                        {
                                fprintf( ioQQQ, "%3ld", ipHi );
                                for( ipLo=0; ipLo < ipHi; ipLo++ )
                                {
                                        if( iso_sp[ipH_LIKE][trace.ipIsoTrace[ipH_LIKE]].trans(ipHi,ipLo).ipCont() <= 0 )
                                                fprintf( ioQQQ, "%10.2e", 1e-30 );
                                        else
                                                fprintf( ioQQQ, "%10.2e", 
                                                        iso_sp[ipH_LIKE][trace.ipIsoTrace[ipH_LIKE]].trans(ipHi,ipLo).Emis().TauIn() );
                                }
                                fprintf( ioQQQ, "\n" );
                        }
                }
        }

        /* save column densities of H species */
        for( long i=0; i<NCOLD; ++i )
        {
                colden.colden_old[i] = colden.colden[i];
        }
        for( long i=0; i < mole_global.num_calc; i++ )
        {
                mole.species[i].column_old = mole.species[i].column;
        }

        opac.telec = opac.taumin;
        opac.thmin = opac.taumin;

        /* all iso sequences */
        for(ipISO=ipH_LIKE; ipISO<NISO; ++ipISO )
        {
                for( nelem=ipISO; nelem < LIMELM; nelem++ )
                {
                        if( dense.lgElmtOn[nelem] )
                        {
                                if( iso_ctrl.lgDielRecom[ipISO] )
                                {
                                        for( ipHi=0; ipHi < iso_sp[ipISO][nelem].numLevels_max; ipHi++ )
                                        {
                                                RT_line_one_tau_reset(SatelliteLines[ipISO][nelem][ipSatelliteLines[ipISO][nelem][ipHi]]);
                                        }
                                }

                                for( ipHi=1; ipHi < iso_sp[ipISO][nelem].numLevels_max; ipHi++ )
                                {
                                        /* the bound-bound transitions within the model atoms */
                                        for( ipLo=0; ipLo < ipHi; ipLo++ )
                                        {
                                                enum {DEBUG_LOC=false};
                                                if( DEBUG_LOC )
                                                {
                                                        if( ipISO==1 && nelem==1 && ipHi==iso_ctrl.nLyaLevel[ipISO] && ipLo==0 )
                                                                fprintf(ioQQQ,"DEBUG rt before loop %li %li %li %li tot %.3e in %.3e\n",
                                                                ipISO, nelem, ipHi , ipLo , 
                                                                iso_sp[ipISO][nelem].trans(iso_ctrl.nLyaLevel[ipISO],0).Emis().TauTot() ,
                                                                iso_sp[ipISO][nelem].trans(iso_ctrl.nLyaLevel[ipISO],0).Emis().TauIn());
                                                }
                                                /*RT_line_one_tau_reset computes average of old and new optical depths 
                                                * for new scale at end of iter */
                                                RT_line_one_tau_reset(iso_sp[ipISO][nelem].trans(ipHi,ipLo));
                                                if( DEBUG_LOC )
                                                {
                                                        if( ipISO==1 && nelem==1 && ipHi==iso_ctrl.nLyaLevel[ipISO] && ipLo==0 )
                                                                fprintf(ioQQQ,"DEBUG rt after loop %li %li %li %li tot %.3e in %.3e\n",
                                                                ipISO, nelem, ipHi , ipLo , 
                                                                iso_sp[ipISO][nelem].trans(iso_ctrl.nLyaLevel[ipISO],0).Emis().TauTot() ,
                                                                iso_sp[ipISO][nelem].trans(iso_ctrl.nLyaLevel[ipISO],0).Emis().TauIn());
                                                }
                                        }
                                }
                                /* the extra Lyman lines */
                                /* Need all levels, as may have been raised/lowered throughout layer */
                                for( ipHi=2; ipHi < iso_ctrl.nLyman_max[ipISO]; ipHi++ )
                                {
                                        /* fully transfer all of the extra lines even though
                                         * have not solved for their upper level populations */
                                        RT_line_one_tau_reset(ExtraLymanLines[ipISO][nelem][ipExtraLymanLines[ipISO][nelem][ipHi]]);
                                }
                        }
                }
        }

        /* >>>chng 99 nov 11 did not have case b for hydrogenic species on second and
         * higher iterations */
        /* option to clobber these taus for Lyman lines, if case b is set */
        if( opac.lgCaseB )
        {
                for( nelem=0; nelem < LIMELM; nelem++ )
                {
                        if( dense.lgElmtOn[nelem] )
                        {
                                realnum f;
                                /* La may be case B, tlamin set to 1e9 by default with case b command */
                                iso_sp[ipH_LIKE][nelem].trans(ipH2p,ipH1s).Emis().TauIn() = opac.tlamin;
                                /* >>>chng 99 nov 22, did not reset TauCon */
                                iso_sp[ipH_LIKE][nelem].trans(ipH2p,ipH1s).Emis().TauCon() = iso_sp[ipH_LIKE][nelem].trans(ipH2p,ipH1s).Emis().TauIn();
                                iso_sp[ipH_LIKE][nelem].trans(ipH2p,ipH1s).Emis().TauTot() = 
                                  2.f*iso_sp[ipH_LIKE][nelem].trans(ipH2p,ipH1s).Emis().TauIn();
                                f = opac.tlamin/iso_sp[ipH_LIKE][nelem].trans(ipH2p,ipH1s).Emis().opacity();

                                for( ipHi=3; ipHi < iso_sp[ipH_LIKE][nelem].numLevels_max; ipHi++ )
                                {
                                        if( iso_sp[ipH_LIKE][nelem].trans(ipHi,ipH1s).ipCont() <= 0 )
                                                continue;

                                        iso_sp[ipH_LIKE][nelem].trans(ipHi,ipH1s).Emis().TauIn() = 
                                                f*iso_sp[ipH_LIKE][nelem].trans(ipHi,ipH1s).Emis().opacity();
                                        /* reset line optical depth to continuum source */
                                        iso_sp[ipH_LIKE][nelem].trans(ipHi,ipH1s).Emis().TauCon() = iso_sp[ipH_LIKE][nelem].trans(ipHi,ipH1s).Emis().TauIn();
                                        iso_sp[ipH_LIKE][nelem].trans(ipHi,ipH1s).Emis().TauTot() = 
                                                2.f*iso_sp[ipH_LIKE][nelem].trans(ipH2p,ipH1s).Emis().TauIn();
                                }
                        }
                }

                /* now do helium like sequence - different since collapsed levels 
                 * all go to ground */
                for( nelem=1; nelem < LIMELM; nelem++ )
                {
                        if( dense.lgElmtOn[nelem] )
                        {
                                double Aprev;
                                realnum ratio;
                                /* La may be case B, tlamin set to 1e9 by default with case b command */
                                iso_sp[ipHE_LIKE][nelem].trans(ipHe2p1P,ipHe1s1S).Emis().TauIn() = opac.tlamin;

                                iso_sp[ipHE_LIKE][nelem].trans(ipHe2p1P,ipHe1s1S).Emis().TauCon() = iso_sp[ipHE_LIKE][nelem].trans(ipHe2p1P,ipHe1s1S).Emis().TauIn();

                                iso_sp[ipHE_LIKE][nelem].trans(ipHe2p1P,ipHe1s1S).Emis().TauTot() = 
                                  2.f*iso_sp[ipHE_LIKE][nelem].trans(ipHe2p1P,ipHe1s1S).Emis().TauIn();

                                ratio = opac.tlamin/iso_sp[ipHE_LIKE][nelem].trans(ipHe2p1P,ipHe1s1S).Emis().opacity();

                                /* this will be the trans prob of the previous lyman line, will use this to 
                                 * find the next one up in the series */
                                Aprev = iso_sp[ipHE_LIKE][nelem].trans(ipHe2p1P,ipHe1s1S).Emis().Aul();
                                /* >>chng 02 jan 05, remove explicit list of lyman lines, use As to guess
                                 * which are which - this will work for any number of levels */
                                for( long i = ipHe2p1P+1; i < iso_sp[ipHE_LIKE][nelem].numLevels_max; i++ )
                                {
                                        if( iso_sp[ipHE_LIKE][nelem].trans(i,ipHe1s1S).ipCont() <= 0 )
                                                continue;

                                        /* >>chng 02 mar 19 use proper test for resonance collapsed lines */
                                        if( iso_sp[ipHE_LIKE][nelem].trans(i,ipHe1s1S).Emis().Aul()> Aprev/10. ||
                                                iso_sp[ipHE_LIKE][nelem].st[i].S() < 0 )
                                        {
                                                Aprev = iso_sp[ipHE_LIKE][nelem].trans(i,ipHe1s1S).Emis().Aul();
                                                iso_sp[ipHE_LIKE][nelem].trans(i,ipHe1s1S).Emis().TauIn() = 
                                                        ratio*iso_sp[ipHE_LIKE][nelem].trans(i,ipHe1s1S).Emis().opacity();
                                                /* reset line optical depth to continuum source */
                                                iso_sp[ipHE_LIKE][nelem].trans(i,ipHe1s1S).Emis().TauCon() = 
                                                        iso_sp[ipHE_LIKE][nelem].trans(i,ipHe1s1S).Emis().TauIn();
                                                iso_sp[ipHE_LIKE][nelem].trans(i,ipHe1s1S).Emis().TauTot() = 
                                                        2.f*iso_sp[ipHE_LIKE][nelem].trans(i,ipHe1s1S).Emis().TauIn();
                                        }
                                }
                        }
                }
        }

        /* zero out fine opacity fine grid fine mesh array */
        memset(rfield.fine_opt_depth , 0 , (unsigned long)rfield.nfine*sizeof(realnum) );
        // Make sure stale zone opacities don't wrap around between
        // iterations.  If this /does/ have an effect, it means that the
        // opacities being used in are one zone stale.  Likely touch points
        // are line overlap & radiation pressure calculations.
        // So zero this isn't ideal, just better than using whatever the
        // value happens to be in the last zone of the previous iteration...
        memset(rfield.fine_opac_zone , 0 , (unsigned long)rfield.nfine*sizeof(realnum) );

        /* all level 2 heavy element lines */
        for( long i=0; i < nWindLine; i++ )
        {
                if( (*TauLine2[i].Hi()).IonStg() < (*TauLine2[i].Hi()).nelem()+1-NISO )
                {
                        RT_line_one_tau_reset(TauLine2[i]);
                }
        }

        /* all hyperfine structure lines */
        for( size_t i=0; i < HFLines.size(); i++ )
        {
                RT_line_one_tau_reset(HFLines[i]);
        }

        /* external database lines */
        for (int ipSpecies=0; ipSpecies < nSpecies; ++ipSpecies)
        {
                for( EmissionList::iterator em=dBaseTrans[ipSpecies].Emis().begin();
                          em != dBaseTrans[ipSpecies].Emis().end(); ++em)
                {
                        RT_line_one_tau_reset((*em).Tran());
                }
        }

        /* inner shell lines */
        for( size_t i=0; i < UTALines.size(); i++ )
        {
                /* these are line optical depth arrays
                 * inward optical depth */
                /* heat is special for this array - it is heat per pump */
                double hsave = UTALines[i].Coll().heat();
                RT_line_one_tau_reset(UTALines[i]);
                UTALines[i].Coll().heat() = hsave;
        }

        /* the large H2 molecule */
        for( diatom_iter diatom = diatoms.begin(); diatom != diatoms.end(); ++diatom )
                (*diatom)->H2_RT_tau_reset();

        if( opac.lgCaseB )
        {
                for( long i=0; i < rfield.nflux_with_check; i++ )
                {
                        /* DEPABS and SCT are abs and sct optical depth for depth only
                         * we will not change total optical depths, just reset inner to half
                         * TauAbsGeo(i,2) = 2.*TauAbsFace(i) */
                        opac.TauAbsGeo[0][i] = opac.TauAbsGeo[1][i]/2.f;
                        /* TauScatGeo(i,2) = 2.*TauScatFace(i) */
                        opac.TauScatGeo[0][i] = opac.TauScatGeo[1][i]/2.f;
                }
        }
        else if( geometry.lgSphere )
        {
                /* closed or spherical case */
                for( long i=0; i < rfield.nflux_with_check; i++ )
                {
                        /* [1] is total optical depth from previous iteration,
                         * [0] is optical depth at current position */
                        opac.TauAbsGeo[1][i] = 2.f*opac.TauAbsFace[i];
                        opac.TauAbsGeo[0][i] = opac.TauAbsFace[i];
                        opac.TauScatGeo[1][i] = 2.f*opac.TauScatFace[i];
                        opac.TauScatGeo[0][i] = opac.TauScatFace[i];
                        opac.TauTotalGeo[1][i] = opac.TauScatGeo[1][i] + opac.TauAbsGeo[1][i];
                        opac.TauTotalGeo[0][i] = opac.TauScatGeo[0][i] + opac.TauAbsGeo[0][i];
                }
        }
        else
        {
                /* open geometry */
                for( long i=0; i < rfield.nflux_with_check; i++ )
                {
                        opac.TauTotalGeo[1][i] = opac.TauTotalGeo[0][i];
                        opac.TauTotalGeo[0][i] = opac.taumin;
                        opac.TauAbsGeo[1][i] = opac.TauAbsGeo[0][i];
                        opac.TauAbsGeo[0][i] = opac.taumin;
                        opac.TauScatGeo[1][i] = opac.TauScatGeo[0][i];
                        opac.TauScatGeo[0][i] = opac.taumin;
                }
        }

        /* same for open and closed geometries */
        for( long i=0; i < rfield.nflux_with_check; i++ )
        {
                /* total optical depth across computed shell */
                opac.TauAbsTotal[i] = opac.TauAbsFace[i];
                /* e2( tau across shell), optical depth from ill face to shielded face of cloud 
                 * not that opac.TauAbsFace is reset to small number just after this */
                opac.E2TauAbsTotal[i] = (realnum)e2( opac.TauAbsTotal[i] );
                /* TauAbsFace and TauScatFace are abs and sct optical depth to ill face */
                opac.TauScatFace[i] = opac.taumin;
                opac.TauAbsFace[i] = opac.taumin;
        }

        /* this is optical depth at x-ray point defining effective optical depth */
        rt.tauxry = opac.TauAbsGeo[0][rt.ipxry-1];
        return;
}