parse_atom_iso.cpp

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/* This file is part of Cloudy and is copyright (C)1978-2013 by Gary J. Ferland and
 * others.  For conditions of distribution and use see copyright notice in license.txt */
/*ParseAtomISO parse information from the atom XX-like command line */
#include "cddefines.h"
#include "elementnames.h"
#include "optimize.h"
#include "hydrogenic.h"
#include "input.h"
#include "iso.h"
#include "parser.h"
#include "phycon.h"
#include "rfield.h"
#include "taulines.h"
#include "thirdparty.h"
 
/*ParseAtomISO parse parameters off the XX-like command */
void ParseAtomISO(long ipISO, Parser &p )
{
        long int numLevels;
 
        DEBUG_ENTRY( "ParseAtomISO()" );
 
        /* look for the name of an element - if we don't find one do the entire
         * iso sequence - returns negative number if element not found */
        long int nelem = p.GetElem( );
 
        /* H-like Helium is not possible */
        if( ipISO==ipHE_LIKE && nelem==ipHYDROGEN )
        {
                fprintf(ioQQQ," Sorry, H-like He does not exist.\n");
                cdEXIT(EXIT_FAILURE);
        }
 
        /* collisions - don't pick up the levels collapsed command */
        if( p.nMatch("COLL") && !p.nMatch("LEVE"  ) )
        {
                /* option to turn collisions off, all are
                 * set to 1 in zero.  command can accept only one option at a time */
                if( p.nMatch("EXCI") )
                {
                        /* turn off collisional excitation */
                        iso_ctrl.lgColl_excite[ipISO] = false;
                        phycon.lgPhysOK = false;
                }
                else if( p.nMatch("IONI") )
                {
                        /* turn off collisional ionization */
                        iso_ctrl.lgColl_ionize[ipISO] = false;
                        phycon.lgPhysOK = false;
                }
 
                else if( p.nMatch("2S2P") || ( p.nMatch("2P2S") && ipISO == ipH_LIKE ) )
                {
                        /* >>chng 02 feb 07, change from 2s2p to l-mixing */
                        /* this is the atom h-like collision l-mixing command */
                        fprintf(ioQQQ,"This command changed to ATOM H-LIKE COLLISIONS L-MIXING\n");
                        fprintf(ioQQQ,"I will parse it for now, but may not in the future.\n");
                        /* turn off 2s - 2p collisions */
                        iso_ctrl.lgColl_l_mixing[ipISO] = false;
                        phycon.lgPhysOK = false;
                }
 
                else if( p.nMatch("L-MI") )
                {
                        if( ipISO == ipH_LIKE )
                        {
                                /* >>chng 02 feb 07, change from 2s2p to l-mixing */
                                /* this is the atom h-like collision l-mixing command */
                                iso_ctrl.lgColl_l_mixing[ipISO] = false;
                                phycon.lgPhysOK = false;
                        }
                        else if( p.nMatch("THER") )
                        {
                                /* use l-mix from 
                                 *>>refer       l-mix   all Vrinceanu, D. & Flannery, M. R. 2001, PhysRevA 63, 032701 */
                                if( p.nMatch("NO T") )                  
                                {
                                        /* This is the "NO Thermal average" command.  It
                                         * causes collisions strengths to be evaluated at kT rather than
                                         * integrated over a Maxwellian peaked at kT. */
                                        iso_ctrl.lgCS_therm_ave[ipISO] = false;
                                }
                                else
                                {
                                        iso_ctrl.lgCS_therm_ave[ipISO] = true;
                                }
                        }
                        else if( p.nMatch("PENG") )
                        {
                                iso_ctrl.lgCS_Vrinceanu[ipISO] = false;
                        }
                        else if( p.nMatch(" OFF"  ) )
                        {
                                /* this is the atom xx-like collision l-mixing command */
                                /* turn off same-n collisions */
                                iso_ctrl.lgColl_l_mixing[ipISO] = false;
                                phycon.lgPhysOK = false;
                                iso_ctrl.lgCS_Vrinceanu[ipISO] = false;
                                iso_ctrl.lgCS_therm_ave[ipISO] = false;
                        }
                        else
                        {
                                fprintf( ioQQQ, " needs parameter\n" );
                                cdEXIT(EXIT_FAILURE);
                        }
                }
                else if( p.nMatch(" OFF"  ) )
                {
                        /* turn everything off, since no keyword given */
                        iso_ctrl.lgColl_excite[ipISO] = false;
                        iso_ctrl.lgColl_ionize[ipISO] = false;
                        iso_ctrl.lgColl_l_mixing[ipISO] = false;
                        phycon.lgPhysOK = false;
                }
                else
                {
                        fprintf( ioQQQ, " needs parameter\n" );
                        cdEXIT(EXIT_FAILURE);
                }
        }
 
        else if( p.nMatch("CONT") && p.nMatch("LOWE") )
        {
                /* disable continuum lowering for this isoelectronic sequence */
                if( p.nMatch("OFF") )
                        iso_ctrl.lgContinuumLoweringEnabled[ipISO] = false;
                else
                        iso_ctrl.lgContinuumLoweringEnabled[ipISO] = true;
        }
 
        else if( p.nMatch("DAMP") )
        {
                if( ipISO == ipHE_LIKE )
                {
                        fprintf(ioQQQ," Sorry, the DAMPING option is not implemented for the he-like sequence.\n");
                        cdEXIT(EXIT_FAILURE);
                }
 
                /* turn off absorption due to Ly alpha damping wings */
                hydro.DampOnFac = 0.;
        }
 
        else if( p.nMatch("DIEL") )
        {
                if( ipISO == ipH_LIKE )
                {
                        fprintf(ioQQQ," Sorry, but dielectronic recombination onto the h-like sequence is not possible.\n");
                        cdEXIT(EXIT_FAILURE);
                }
 
                /* This sets which set of data to use for dielectronic recombination.   */
                if( p.nMatch(" OFF") )
                {
                        iso_ctrl.lgDielRecom[ipISO] = false;
                }
                else 
                        iso_ctrl.lgDielRecom[ipISO] = true;
        }
 
        else if( p.nMatch("LEVE") )
        {
                /* the number of levels read in is n, the principal quantum number
                 * only lines with upper levels less than n will be printed */
 
                /* number of levels for iso-sequence */
                /* there are two options here,
                 * when keyword ELEMENT appears, scan off element name and change levels only for
                 * that one.
                 * when there is no ELEMENT then set all in iso to same number */
 
                /* lgHydroMalloc is false at start of calculation, set true when space 
                 * allocated for the hydrogen and helium lines.  Once done we must ignore all 
                 * future changes in the number of levels */
                if( p.nMatch("LTE") )
                {
                        /* force level ratios to LTE */
                        iso_ctrl.lgLTE_levels[ipISO] = true;
                }
                else if( p.nMatch("PRIN") )
                {
                        /* only print - do not change levels */
                        iso_ctrl.lgPrintNumberOfLevels = true;
                }
                else if( !lgHydroMalloc )
                {
                        numLevels = (long int)p.FFmtRead();
 
                        if( !p.lgEOL() )
                        {
                                if( ipISO == ipH_LIKE && numLevels > NHYDRO_MAX_LEVEL-2 )
                                {
                                        fprintf( ioQQQ, " Not possible to set nhlvl to >NHYDRO_MAX_LEVEL-2= %i\n",
                                          NHYDRO_MAX_LEVEL-2 );
                                        fprintf( ioQQQ, " change NHYDRO_MAX_LEVEL\n");
                                        cdEXIT(EXIT_FAILURE);
                                }
 
                                /* check that alpha transition of highest level is within energy bounds of continuum */
                                if( !p.nMatch("COLL") && ipISO == ipH_LIKE &&
                                        ( 2. / POW3((double)numLevels) < rfield.emm ) )
                                {
                                        fprintf( ioQQQ, " Not possible to set iso_sp[ipH_LIKE][ipHYDROGEN].numLevels_max to such a high value, since "
                                                "alpha transition not within energy bounds of code\n");
 
                                        fprintf( ioQQQ, " lowest energy is %e and corresponding highest level is %li\n" ,
                                                rfield.emm, (long)pow(2./rfield.emm, 0.3333) );
                                        cdEXIT(EXIT_FAILURE);
                                }
                        }
 
                        if( p.lgEOL() )
                        {
                                int LevelsResolved=-1 , LevelsCollapsed=10;
                                /* no number, so check for either large or small */
                                if( p.nMatch("LARG") )
                                {
                                        /* includes all levels with tabulated rec coefficient */
                                        LevelsResolved = RREC_MAXN;
                                }
 
                                /* this is small or compact keyword */
                                else if( p.nMatch("SMAL") || p.nMatch("COMP") )
                                {
                                        if( ipISO == ipH_LIKE )
                                                LevelsResolved = 5;
                                        else if( ipISO == ipHE_LIKE )
                                                LevelsResolved = 3;
                                        else
                                                TotalInsanity();
                                }
                                else
                                        /* punch out if no number */
                                        p.NoNumb("levels");
 
                                if( nelem<0 )
                                {
                                        // element not specified, do entire sequence
                                        for( nelem=ipISO; nelem<LIMELM; ++nelem )
                                        {
                                                iso_sp[ipISO][nelem].nCollapsed_max =
                                                                MIN2( iso_sp[ipISO][nelem].nCollapsed_max , LevelsCollapsed );
                                                iso_sp[ipISO][nelem].n_HighestResolved_max =
                                                                MIN2( iso_sp[ipISO][nelem].n_HighestResolved_max , LevelsResolved );
                                                iso_update_num_levels( ipISO, nelem );
                                        }
                                }
                                else
                                {
                                        iso_sp[ipISO][nelem].nCollapsed_max = LevelsCollapsed;
                                        iso_sp[ipISO][nelem].n_HighestResolved_max = LevelsResolved;
                                        iso_update_num_levels( ipISO, nelem );
                                }
                        }
 
                        else if( p.nMatch("COLLAP") )
                        {
                                // set number of collapsed levels
                                if( numLevels < 1 )
                                {
                                        fprintf( ioQQQ, "There must be at least one collapsed level.\n");
                                        cdEXIT(EXIT_FAILURE);
                                }
 
                                if( nelem<0 )
                                {
                                        // element not specified, do entire sequence
                                        for( nelem=ipISO; nelem<LIMELM; ++nelem )
                                        {
                                                iso_sp[ipISO][nelem].nCollapsed_max = numLevels;
                                                iso_update_num_levels( ipISO, nelem );
                                        }
                                }
                                else
                                {
                                        iso_sp[ipISO][nelem].nCollapsed_max = numLevels;
                                        iso_update_num_levels( ipISO, nelem );
                                }
                        }
                        else if( p.nMatch("RESOLV") )
                        {
                                // number of resolved levels
                                if( ( numLevels < 3 ) && !p.nMatch("COLL") )
                                {
                                        fprintf( ioQQQ, " cannot have fewer than 3 resolved levels, the requested number was %li\n" ,
                                                numLevels  );
                                        fprintf( ioQQQ, " Sorry.\n" );
                                        cdEXIT(EXIT_FAILURE);
                                }
 
                                if( nelem<0 )
                                {
                                        // element not specified, do entire sequence
                                        for( nelem=ipISO; nelem<LIMELM; ++nelem )
                                        {
                                                iso_sp[ipISO][nelem].n_HighestResolved_max = numLevels;
                                                iso_update_num_levels( ipISO, nelem );
                                        }
                                }
                                else
                                {
                                        iso_sp[ipISO][nelem].n_HighestResolved_max = numLevels;
                                        iso_update_num_levels( ipISO, nelem );
                                }
                        }
                        else
                        {
                                fprintf(ioQQQ, "I did not recognize a keyword on this atom xx-like levels command."
                                        "  Should be COLLAPSED or RESOLVED.\n Sorry.\n\n");
                                        cdEXIT(EXIT_FAILURE);
                        }
                }
        }
 
        else if( p.nMatch("ERRO") && p.nMatch("GENE"  ) )
        {
                /* Rates will be modified by a randomly generated error that falls within
                 * the range specifically set for each rate (or set of rates).  */
                iso_ctrl.lgRandErrGen[ipISO] = true;
                iso_ctrl.modelRank[ipISO] = (int)p.FFmtRead();
 
                iso_ctrl.modelRank[ipISO] = MAX2( 0, iso_ctrl.modelRank[ipISO] );
                if( p.lgEOL() )
                        /* Changed to avoid lint complaint */
                        /* iso_ctrl.modelRank[ipISO] = (unsigned)time(NULL); */
                        iso_ctrl.modelRank[ipISO] = abs((int)time(NULL));
 
                /* this allows a seed that is dependent upon the processor rank
                 * in a parallel run. */
                /* We add 2 so that the seed is always greater than 1, which would reset the generator. */
                init_genrand( (unsigned)iso_ctrl.modelRank[ipISO] + 2);
 
                if( p.nMatch("PESS") )
                        iso_ctrl.lgPessimisticErrors = true;
                else
                        iso_ctrl.lgPessimisticErrors = false;
        }
 
        else if( p.nMatch(" FSM") )
        {
                if( ipISO == ipH_LIKE )
                {
                        fprintf(ioQQQ," Sorry, but fine-structure mixing can only be implemented for the He-like sequence.\n");
                        cdEXIT(EXIT_FAILURE);
                }
 
                if( !p.nMatch("CRASH"))
                {
                        fprintf(ioQQQ," Sorry, but fine-structure mixing for the He-like sequence does not now work.\n");
                        fprintf(ioQQQ," Add the keyword CRASH to skip this message and proceed on to the problem.\n");
                        cdEXIT(EXIT_FAILURE);
                }
                /* turn on fine structure mixing of spontaneous decays.  
                 * >>refer      Helike  FSM     Bauman, R., MacAdams, K., and Ferland, G. (2003).       */
                if( p.nMatch(" OFF") )
                        iso_ctrl.lgFSM[ipISO] = false;
                else
                        iso_ctrl.lgFSM[ipISO] = true;
        }
 
        else if( p.nMatch("GBAR") )
        {
                if( ipISO == ipH_LIKE )
                {
                        fprintf(ioQQQ," Sorry, the GBAR option is only implemented for the He-like sequence.\n");
                        cdEXIT(EXIT_FAILURE);
                }
 
                /* the HEGBAR command - to change cs of higher levels */
                /* first turn all off, one will be turned back on */
                iso_ctrl.lgCS_Vriens[ipISO] = false;
                iso_ctrl.lgCS_None[ipISO] = false;
                iso_ctrl.nCS_new[ipISO] = false;
 
                /* now turn one on */
                if( p.nMatch("VRIE") )
                {
                        /* option to change how collisions for unknown levels affect things */
                        iso_ctrl.lgCS_Vriens[ipISO] = true;
                }
                else if( p.nMatch(" NEW") )
                {
                        /* option to change how collisions for unknown levels affect things */
                        iso_ctrl.nCS_new[ipISO] = (int)p.FFmtRead();
 
                        /* there are two options, 1 and 2, for which fit - default (no number)
                         * will be 1, the broken power law fit */
                        if( p.lgEOL() )
                                iso_ctrl.nCS_new[ipISO] = 1;
 
                        ASSERT( iso_ctrl.nCS_new[ipISO] );
                }
                else if( p.nMatch(" OFF") )
                {
                        /* option to change how collisions for unknown levels affect things */
                        iso_ctrl.lgCS_None[ipISO] = true;
                }
                else
                {
                        fprintf( ioQQQ, " needs parameter\n" );
                        cdEXIT(EXIT_FAILURE);
                }
        }
 
 
        else if( p.nMatch("LYMA") )
        {
                if( ipISO == ipH_LIKE && p.nMatch("PUMP") )
                {
                        /* >>chng 05 jul 08, separate out Lyman pump commands */
                        if( p.nMatch(" OFF") )
                        {
                                /* option to turn off all continuum pumping of Lyman lines */
                                hydro.lgLymanPumping = false;
                        }
                        else if( p.nMatch("SCALE") )
                        {
                                /* multiplicative factor for all continuum pumping of H I Lyman lines,
                                 * account for possible emission in the line - only affects H I
                                 * not entire H-like iso sequence */
                                hydro.xLymanPumpingScaleFactor = 
                                        (realnum)p.FFmtRead();
                                /* scale factor is log if <=0, 
                                 * represents line in emission if >1
                                 * LOG keyword forces interpretation as a log */
                                if( hydro.xLymanPumpingScaleFactor <= 0. ||
                                        p.nMatch(" LOG") )
                                {
                                        hydro.xLymanPumpingScaleFactor = 
                                                (realnum)pow((realnum)10.f , hydro.xLymanPumpingScaleFactor );
                                }
 
                                /* vary option */
                                if( optimize.lgVarOn )
                                {
                                        optimize.nvarxt[optimize.nparm] = 1;
                                        strcpy( optimize.chVarFmt[optimize.nparm], "ATOM H-LIKE LYMAN PUMPING SCALE %f LOG" );
 
                                        /*  pointer to where to write */
                                        optimize.nvfpnt[optimize.nparm] = input.nRead;
 
                                        /*  current parameters - always log so steps are log  */
                                        optimize.vincr[optimize.nparm] = 0.1f;
                                        optimize.vparm[0][optimize.nparm] = (realnum)log10(hydro.xLymanPumpingScaleFactor);
                                        ++optimize.nparm;
                                }
                        }
                        else
                        {
                                fprintf(ioQQQ," Sorry, I didn\'t recognize an option on this ATOM H-LIKE LYMAN PUMP command.\n");
                                fprintf(ioQQQ," The options are \" OFF\", and \"SCALE\".\n");  
                                cdEXIT(EXIT_FAILURE);
                        }
                }
                else if( p.nMatch("EXTRA") )
                {
                        /* option to set number of "extra" Lyman lines, used for optical depths only */
                        iso_ctrl.nLyman[ipISO] = (long int)p.FFmtRead();
                        if( p.lgEOL() )
                                p.NoNumb("'extra' Lyman lines");
                        if( iso_ctrl.nLyman[ipISO] < 2 )
                        {
                                // Code does not elsewhere protect against values less than 2.
                                fprintf(ioQQQ," Sorry, the value on this ATOM xx-LIKE LYMAN command must be at least 2.\n"); 
                                cdEXIT(EXIT_FAILURE);
                        }
                }
                else
                {
                        fprintf(ioQQQ," Sorry, I didn\'t recognize an option on this ATOM xx-LIKE LYMAN command.\n");
                        fprintf(ioQQQ," The options are \"PUMP\", and \"EXTRA\".\n");
                        cdEXIT(EXIT_FAILURE);
                }
        }
 
        /* don't interpolate on look-up tables but compute recombination on the fly instead */
        else if( p.nMatch("RECO") &&
                p.nMatch(" NO ") && p.nMatch("INTE") )
        {
                /* flag set by atom xx-like no recombination interp command, 
                 * says to generate recombination coefficients
                 * on the fly */
                iso_ctrl.lgNoRecombInterp[ipISO] = true;
        }
 
        else if( p.nMatch("REDI") )
        {
                int ipRedis=0;
                /* there are three functions, PRD_, CRD_, and CRDW,
                 * representing partial redistribution, 
                 * complete redistribution (doppler core only, no wings)
                 * and complete with wings */
                /* partial redistribution */
                if( p.nMatch(" PRD") )
                {
                        ipRedis = ipPRD;
                }
                /* complete redistribution no wings */
                else if( p.nMatch(" CRD") )
                {
                        ipRedis = ipCRD;
                }
                /* complete redistribution with wings */
                else if( p.nMatch("CRDW") )
                {
                        ipRedis = ipCRDW;
                }
 
                /* if not SHOW option (handled below) then we have a problem */
                else if( !p.nMatch("SHOW") )
                {
                        fprintf(ioQQQ," There should have been a second keyword on this command.\n");
                        fprintf(ioQQQ," Options are _PRD, _CRD, CRDW (_ is space).  Sorry.\n");
                        cdEXIT(EXIT_FAILURE);
                }
 
                /* resonance lines - not Lya*/
                if( p.nMatch("ALPH") )
                {
                        iso_ctrl.ipLyaRedist[ipISO] = ipRedis;
                }
                /* Lya itself */
                else if( p.nMatch("RESO") )
                {
                        iso_ctrl.ipResoRedist[ipISO] = ipRedis;
                }
                /* subordinate lines */
                else if( p.nMatch("SUBO") )
                {
                        iso_ctrl.ipSubRedist[ipISO] = ipRedis;
                }
                /* the show option, say what we are assuming */
                else if( p.nMatch("SHOW") )
                {
                        fprintf(ioQQQ," Ly a is ");
                        if( iso_ctrl.ipLyaRedist[ipISO] ==ipCRDW )
                        {
                                fprintf(ioQQQ,"complete redistribution with wings\n");
                        }
                        else if( iso_ctrl.ipLyaRedist[ipISO] ==ipCRD )
                        {
                                fprintf(ioQQQ,"complete redistribution with core only.\n");
                        }
                        else if( iso_ctrl.ipLyaRedist[ipISO] ==ipPRD )
                        {
                                fprintf(ioQQQ,"partial redistribution.\n");
                        }
                        else if( iso_ctrl.ipLyaRedist[ipISO] ==ipLY_A )
                        {
                                fprintf(ioQQQ,"special Lya.\n");
                        }
                        else
                        {
                                fprintf(ioQQQ," PROBLEM Impossible value for iso_ctrl.ipLyaRedist.\n");
                                TotalInsanity();
                        }
 
                        fprintf(ioQQQ," Other %s resonance lines are ",
                                elementnames.chElementSym[ipISO] );
 
                        if( iso_ctrl.ipResoRedist[ipISO] ==ipCRDW )
                        {
                                fprintf(ioQQQ,"complete redistribution with wings\n");
                        }
                        else if( iso_ctrl.ipResoRedist[ipISO] ==ipCRD )
                        {
                                fprintf(ioQQQ,"complete redistribution with core only.\n");
                        }
                        else if( iso_ctrl.ipResoRedist[ipISO] ==ipPRD )
                        {
                                fprintf(ioQQQ,"partial redistribution.\n");
                        }
                        else
                        {
                                fprintf(ioQQQ," PROBLEM Impossible value for iso_ctrl.ipResoRedist.\n");
                                TotalInsanity();
                        }
 
                        fprintf(ioQQQ," %s subordinate lines are ",
                                elementnames.chElementSym[ipISO] );
 
                        if( iso_ctrl.ipSubRedist[ipISO] ==ipCRDW )
                        {
                                fprintf(ioQQQ,"complete redistribution with wings\n");
                        }
                        else if( iso_ctrl.ipSubRedist[ipISO] ==ipCRD )
                        {
                                fprintf(ioQQQ,"complete redistribution with core only.\n");
                        }
                        else if( iso_ctrl.ipSubRedist[ipISO] ==ipPRD )
                        {
                                fprintf(ioQQQ,"partial redistribution.\n");
                        }
                        else
                        {
                                fprintf(ioQQQ," PROBLEM Impossible value for iso_ctrl.ipSubRedist.\n");
                                TotalInsanity();
                        }
                }
                else
                {
                        fprintf(ioQQQ," here should have been another keyword on this command.\n");
                        fprintf(ioQQQ," Options are ALPHA, RESONANCE, SUBORDINATE.  Sorry.\n");
                        cdEXIT(EXIT_FAILURE);
                }
        }
 
        else if( p.nMatch("TOPO") )
        {
                if( p.nMatch(" OFF") )
                {
                        iso_ctrl.lgTopoff[ipISO] = false;
                        fprintf( ioQQQ, "ISO %li TOPOFF is OFF\n", ipISO );
                }
                else
                        iso_ctrl.lgTopoff[ipISO] = true;
        }
 
 
        else
        {
                fprintf( ioQQQ, " There should have been a keyword on this ATOM H-LIKE or HE-LIKE command.\n Sorry.\n" );
                cdEXIT(EXIT_FAILURE);
        }
        return;
}