atom_hyperfine.cpp

Go to the documentation of this file.

/* This file is part of Cloudy and is copyright (C)1978-2017 by Gary J. Ferland and
 * others.  For conditions of distribution and use see copyright notice in license.txt */
/* HyperfineCreat establish space for hf arrays, reads atomic data from hyperfine.dat */
/* HyperfineCS - returns collision strengths for hyperfine struc transitions */
/*H21cm computes rate for H 21 cm from upper to lower excitation by atomic hydrogen */ 
/*h21_t_ge_20 compute rate for H 21 cm from upper to lower excitation by atomic hydrogen */ 
/*h21_t_lt_20 compute rate for H 21 cm from upper to lower excitation by atomic hydrogen */ 
/*H21cm_electron compute H 21 cm rate from upper to lower excitation by electrons - call by CoolEvaluate */
/*H21cm_H_atom - evaluate H atom spin changing collision rate, called by CoolEvaluate */
/*H21cm_proton - evaluate proton spin changing H atom collision rate, */
#include "cddefines.h"
#include "abund.h"
#include "conv.h"
#include "phycon.h"
#include "dense.h"
#include "rfield.h"
#include "taulines.h"
#include "iso.h"
#include "trace.h"
#include "hyperfine.h"
#include "lines_service.h"
#include "service.h"

/* H21_cm_pops - fine level populations for 21 cm with Lya pumping included 
 * called in CoolEvaluate */
void H21_cm_pops( void )
{
        /*atom_level2( HFLines[0] );*/
        /*return;*/
        /*
        things we know on entry to this routine:
        total population of 2p: iso_sp[ipH_LIKE][ipHYDROGEN].st[ipH2p].Pop
        total population of 1s: iso_sp[ipH_LIKE][ipHYDROGEN].st[ipH1s].Pop
        continuum pumping rate (lo-up) inside 21 cm line: HFLines[0].pump()
        upper to lower collision rate inside 21 cm line: HFLines[0].cs*dense.cdsqte
        occupation number inside Lya: OccupationNumberLine( &iso_sp[ipH_LIKE][ipHYDROGEN].trans(ipH2p,ipH1s) )

        level populations (cm-3) must be computed:
        population of upper level of 21cm: HFLines[0].Hi->Pop
        population of lower level of 21cm: (*HFLines[0].Lo()).Pop
        stimulated emission corrected population of lower level: HFLines[0].Emis->PopOpc()
        */

        double  PopTot = iso_sp[ipH_LIKE][ipHYDROGEN].st[ipH1s].Pop();

        /* population can be zero in certain tests where H is turned off,
         * also if initial solver does not see any obvious source of ionization
         * also possible to set H0 density to zero with element ionization command,
         * as is done in func_set_ion test case */
        if( PopTot <0 )
                TotalInsanity();
        else if( PopTot == 0 )
        {
                /*return after zeroing local variables */
                (*HFLines[0].Hi()).Pop() = 0.;
                (*HFLines[0].Lo()).Pop() = 0.;
                HFLines[0].Emis().PopOpc() = 0.;
                HFLines[0].Emis().xIntensity() = 0.;
                HFLines[0].Emis().xObsIntensity() = 0.;
                HFLines[0].Emis().ColOvTot() = 0.;
                hyperfine.Tspin21cm = 0.;
                return;
        }

        double a31 = 2.08e8;   /* Einstein co-efficient for transition 1p1/2 to 0s1/2 */
        double a32 = 4.16e8;   /* Einstein co-efficient for transition 1p1/2 to 1s1/2 */
        double a41 = 4.16e8;   /* Einstein co-efficient for transition 1p3/2 to 0s1/2 */
        double a42 = 2.08e8;   /* Einstein co-efficient for transition 1p3/2 to 1s1/2 */
        /* These A values are determined from eqn. 17.64 of "The theory of Atomic structure
         * and Spectra" by R. D. Cowan 
         * A hyperfine level has degeneracy Gf=(2F + 1)
         * a2p1s = 6.24e8;  Einstein co-efficient for transition 2p to 1s */
        double a21 = HFLines[0].Emis().Aul();   /* Einstein co-efficient for transition 1s1/2 to 0s1/2 */

        /* above is spontaneous rate - the net rate is this times escape and destruction
         * probabilities */
        a21 *= HFLines[0].Emis().Ploss();
        ASSERT( a21 >= 0. );

        /* hyperfine.lgLya_pump_21cm is option to turn off Lya pump
         * of 21 cm, with no 21cm lya pump command - note that this
         * can be negative if Lya mases - can occur during search phase */
        double occnu_lya = OccupationNumberLine( iso_sp[ipH_LIKE][ipHYDROGEN].trans(ipH2p,ipH1s) ) *
                hyperfine.lgLya_pump_21cm;

        if( occnu_lya<0 )
        {
                /* Lya is masing - could be due to very bad solution in search phase */
                if( !conv.lgSearch && !conv.lgLyaMaseCommentDone )
                {
                        fprintf(ioQQQ,
                        "NOTE Lya masing will invert 21 cm, occupation number set zero\n");
                        conv.lgLyaMaseCommentDone = true;
                }
                occnu_lya = 0.;
        }

        /* Lya occupation number for the hyperfine levels 0S1/2 and 1S1/2 can be different
         * this is related to the "Wouthuysen-Field coupling",
         * https://en.wikipedia.org/wiki/Wouthuysen%E2%80%93Field_coupling
         * which assumes that the variation of the Lya source function is the gas kinetic temperature.
         * Following Adams 1971 we assume variation is line excitation temperature.
         * Third possibility is that given in stellar atmosphere texts, S_nu = constant
         *
         */
        double texc, texc1 = 0., texc2 = 0.;
        /* selected with SET LYA 21CM command */
        if( hyperfine.LyaSourceFunctionShape_assumed == t_hyperfine::EXCITATION )
                texc = TexcLine( iso_sp[ipH_LIKE][ipHYDROGEN].trans(ipH2p,ipH1s) );
        else if( hyperfine.LyaSourceFunctionShape_assumed == t_hyperfine::KINETIC )
                texc = phycon.te;
        else if( hyperfine.LyaSourceFunctionShape_assumed == t_hyperfine::CONSTANT )
                texc = 1e9;
        else
                TotalInsanity();
        enum { DEBUG_SPEC = false };
        if( DEBUG_SPEC )
        {
                fprintf(ioQQQ,"DEBUG texc %12.3e excitation %12.3e kinetic %12.3e\n",
                        texc, TexcLine( iso_sp[ipH_LIKE][ipHYDROGEN].trans(ipH2p,ipH1s) ) , phycon.te );
        }

        /* Energy difference between 2p1/2 and 2p3/2 taken from NSRDS */
        if( texc > 0. )
        {
                /* convert to Boltzmann factor, which will applied to occupation 
                 * number of higher energy transition */
                texc1 = sexp(0.068/texc);
                texc2 = sexp(((82259.272-82258.907)*T1CM)/texc);
        }

        /* the continuum within Lya seen by the two levels is not exactly the same brightness.  They
         * differ by the exp when Lya is on Wein tail of black body, which must be true if 21 cm is important */

        double occnu_lya_23 = occnu_lya;
        double occnu_lya_13 = occnu_lya*texc1;
        double occnu_lya_14 = occnu_lya_13*texc2;
        double occnu_lya_24 = occnu_lya*texc2;

        /* this is the 21 cm upward continuum pumping rate [s-1] for the attenuated incident and
         * local continuum and including line optical depths */
        double pump12 = HFLines[0].Emis().pump();
        double pump21 = pump12 * (*HFLines[0].Lo()).g() / (*HFLines[0].Hi()).g();

        /* collision rates s-1 within 1s,
         * were multiplied by collider density when evaluated in CoolEvaluate */
        /* ContBoltz is Boltzmann factor for wavelength of line */
        ASSERT( HFLines[0].Coll().col_str()>0. );
        double coll12 = HFLines[0].Coll().col_str()*dense.cdsqte/(*HFLines[0].Lo()).g()*rfield.ContBoltz[HFLines[0].ipCont()-1];
        double coll21 = HFLines[0].Coll().col_str()*dense.cdsqte/(*HFLines[0].Hi()).g();

        /* set up rate (s-1) equations
         * all process out of 1 that eventually go to 2 */
        double rate12 = 
                /* collision rate (s-1) from 1 to 2 */
                coll12 + 
                /* direct external continuum pumping (s-1) in 21 cm line - usually dominated by CMB */
                pump12 +
                /* pump rate (s-1) up to 3, times fraction that decay to 2, hence net 1-2 */
                3.*a31*occnu_lya_13 *a32/(a31+a32)+
                /* pump rate (s-1) up to 4, times fraction that decay to 2, hence net 1-2 */
                /* >>chng 05 apr 04, GS, degeneracy corrected from 6 to 3 */
                3.*a41*occnu_lya_14 *a42/(a41+a42);

        /* set up rate (s-1) equations
         * all process out of 2 that eventually go to 1 */
        /* spontaneous + induced 2 -> 1 by external continuum inside 21 cm line */
        /* >>chng 04 dec 03, do not include spontaneous decay, for numerical stability */
        double rate21 = 
                /* collisional deexcitation */
                coll21 +
                /* net spontaneous decay plus external continuum pumping in 21 cm line */
                pump21 +
                /* rate from 2 to 3 time fraction that go back to 1, hence net 2 - 1 */
                /* >>chng 05 apr 04,GS, degeneracy corrected from 2 to unity */
                occnu_lya_23*a32 * a31/(a31+a32)+
                occnu_lya_24*a42*a41/(a41+a42);

        /* x = (*HFLines[0].Hi()).Pop/(*HFLines[0].Lo()).Pop */
        double x = rate12 / SDIV(a21 + rate21);
        ASSERT( x > 0. );

        /* the Transitions term is the total population of 1s */
        (*HFLines[0].Hi()).Pop() = (x/(1.+x))* PopTot;
        (*HFLines[0].Lo()).Pop() = (1./(1.+x))* PopTot;

        /* the population with correction for stimulated emission */
        HFLines[0].Emis().PopOpc() = (*HFLines[0].Lo()).Pop()*((3*rate21- rate12) + 3*a21)/SDIV(3*(a21+ rate21));

        /* ratio of collisional to total (collisional + pumped) excitation */
        HFLines[0].Emis().ColOvTot() = coll12 / rate12;

        /* set number of escaping line photons, used elsewhere for outward beam
         * and line intensity
         * NB: continuum subtraction is performed within PutLine() */
        set_xIntensity(HFLines[0]);


        /* finally save the spin temperature */
        hyperfine.Tspin21cm = phycon.te;
        if( (*HFLines[0].Hi()).Pop() > SMALLFLOAT )
        {
                hyperfine.Tspin21cm = TexcLine( HFLines[0] );
                /* this line must be non-zero - it does strongly mase in limit_compton_hi_t sim -
                 * in that sim pop ratio goes to unity for a float and TexcLine ret zero */
                if( hyperfine.Tspin21cm == 0. )
                        hyperfine.Tspin21cm = phycon.te;
        }

        return;
}

/*H21cm_electron computes rate for H 21 cm from upper to lower excitation by electrons - call by CoolEvaluate
 * >>refer      H1      CS      Smith, F. J. 1966, Planet. Space Sci., 14, 929 */
double H21cm_electron( double temp )
{
        temp = MIN2(1e4 , temp );

        /* following fit is from */
        /* >>refer      H1      21cm    Liszt, H. 2001, A&A, 371, 698 */
        return  exp10( -9.607 + log10( sqrt(temp)) * sexp( powpq(log10(temp),9,2) / 1800. ));
}

/* computes rate for H 21 cm from upper to lower excitation by atomic hydrogen 
 * from 
 * >>refer      H1      CS      Allison, A. C., & Dalgarno A. 1969, ApJ 158, 423 */
/* the following is the best current survey of 21 cm excitation */
/* >>refer      H1      21cm    Liszt, H. 2001, A&A, 371, 698 */
#if 0
STATIC double h21_t_ge_20( double temp )
{
        double y;
        double x1,
                teorginal = temp;
        /* data go up to 1,000K must not go above this */
        temp = MIN2( 1000.,temp );
        x1 =1.0/sqrt(temp);
        y =-21.70880995483007-13.76259674006133*x1;
        y = exp(y);

        /* >>chng 02 feb 14, extrapolate above 1e3 K as per Liszt 2001 recommendation 
         * page 699 of */
        /* >>refer      H1      21cm    Liszt, H. 2001, A&A, 371, 698 */
        if( teorginal > 1e3 )
        {
                y *= pow(teorginal/1e3 , 0.33 );
        }

        return( y );
}

/* this branch for T < 20K, data go down to 1 K */
STATIC double h21_t_lt_20( double temp )
{
        double y;
        double x1;

        /* must not go below 1K */
        temp = MAX2( 1., temp );
        x1 =temp*log(temp);
        y =9.720710314268267E-08+6.325515312006680E-08*x1;
        return(y*y);
}
#endif

/* >> chng 04 dec 15, GS. The fitted rate co-efficients (cm3s-1) in the temperature range 1K to 300K is from
 * >>refer      H1      CS      Zygelman, B. 2005, ApJ, 622, 1356 
 * The rate is 4/3 times the Dalgarno (1969) rate for the 
 temperature range 300K to 1000K. Above 1000K, the rate is extrapolated according to Liszt 2001.*/
STATIC double h21_t_ge_10( double temp )
{
        double teorginal = temp;

        /* data go up to 300K  */
        temp = MIN2( 300., temp );

        double y = 1.4341127e-9
                 + 9.4161077e-15 * temp
                 - 9.2998995e-9  / log(temp)
                 + 6.9539411e-9  / sqrt(temp)
                 + 1.7742293e-8  * log(temp)/pow2(temp);
        if( teorginal > 300. )
        {
                /* data go up to 1000*/
                temp = MIN2( 1000., teorginal );
                y = -21.70880995483007 - 13.76259674006133 / sqrt(temp);
                y = 1.236686*exp(y);
        }
        if( teorginal > 1e3 )
        {
                /*data go above 1000*/
                y *= pow( teorginal/1e3 , 0.33 );
        }
        return( y );
}
/* this branch for T < 10K, data go down to 1 K */
STATIC double h21_t_lt_10( double temp )
{
        /* must not go below 1K */
        temp = MAX2(1., temp );
        return    8.5622857e-10
                + 2.331358e-11  * temp
                + 9.5640586e-11 * pow2(log(temp))
                - 4.6220869e-10 * sqrt(temp)
                - 4.1719545e-10 / sqrt(temp);
}

/*H21cm_H_atom - evaluate H atom spin changing H atom collision rate, 
 * called by CoolEvaluate 
 * >>refer      H1      CS      Allison, A. C. & Dalgarno, A. 1969, ApJ 158, 423 
 */
double H21cm_H_atom( double temp )
{
        double hold;
        if( temp >= 10. )
        {
                hold = h21_t_ge_10( temp );
        }
        else
        {
                hold = h21_t_lt_10( temp );
        }

        return hold;
}

/*H21cm_proton - evaluate proton spin changing H atom collision rate, 
* called by CoolEvaluate */
double H21cm_proton( double temp )
{
        /*>>refer       21cm    p coll  Furlanetto, S. R. & Furlanetto, M. R. 2007, MNRAS, 379, 130
         * previously had used proton rate, which is 3.2 times H0 rate according to
         *>>refer       21cm    CS      Liszt, H. 2001, A&A, 371, 698 */
        /* fit to table 1 of first paper */
        /*--------------------------------------------------------------*
        TableCurve Function: c:\storage\litera~1\21cm\atomic~1\p21cm.c Jun 20, 2007 3:37:50 PM
        proton coll deex
        X= temperature (K)
        Y= rate coefficient (1e-9 cm3 s-1)
        Eqn# 4419  y=a+bx+cx^2+dx^(0.5)+elnx/x
        r2=0.9999445384690351
        r2adj=0.9999168077035526
        StdErr=5.559328579039901E-12
        Fstat=49581.16793656295
        a= 9.588389834316704E-11
        b= -5.158891920816405E-14
        c= 5.895348443553458E-19
        d= 2.05304960232429E-11
        e= 9.122617940315725E-10
        *--------------------------------------------------------------*/

        /* only fit this range, did not include T = 1K point which 
         * causes an inflection */
        temp = MAX2( 2. , temp );
        temp = MIN2( 2e4 , temp );

        /* within range of fitted rate coefficients */
        return    9.588389834316704E-11
                - 5.158891920816405E-14 * temp
                + 5.895348443553458E-19 * temp * temp
                + 2.053049602324290E-11 * sqrt(temp)
                + 9.122617940315725E-10 * log(temp) / temp;
}

/* 
 * HyperfineCreate, HyperfineCS written July 2001
 * William Goddard for Gary Ferland
 * This code calculates line intensities for known
 * hyperfine transitions.
 */

/* two products, the transition structure HFLines, which contains all information for the lines,
 * and nHFLines, the number of these lines.  
 *
 * these are in taulines.h
 *
 * info to create them contained in hyperfine.dat
 *
 * abundances of nuclei are also in hyperfine.dat, stored in 
 */

/* Ion contains varying temperatures, specified above, used for */
/* calculating collision strengths.                             */      
STATIC int Ntemp = -1;
STATIC double   *csTemp;
typedef struct 
{
        double  *cs;
        double  *cs2d;
} t_ColStr;

STATIC t_ColStr *colstr;

const double ENERGY_MIN_WN = 1e-10;


/* HyperfineCreate establish space for HFS arrays, reads atomic data from hyperfine.dat */
void HyperfineCreate(void)
{
        FILE *ioDATA;
        char chLine[INPUT_LINE_LENGTH];
        vector<string>  data;

        DEBUG_ENTRY( "HyperfineCreate()" );

        /* list of ion collision strengths for the temperatures listed in table */
        /* HFLines containing all the data in Hyperfine.dat, and transition is  */
        /* defined in cddefines.h                                               */

        /*transition *HFLines;*/

        /* get the line data for the hyperfine lines */
        if( trace.lgTrace )
                fprintf( ioQQQ," Hyperfine opening hyperfine.dat:");

        ioDATA = open_data( "hyperfine.dat", "r" );

        /* first line is a version number and does not count */
        if( read_whole_line( chLine , (int)sizeof(chLine) , ioDATA ) == NULL )
        {
                fprintf( ioQQQ, " Hyperfine could not read first line of hyperfine.dat.\n");
                cdEXIT(EXIT_FAILURE);
        }

        /* count lines in the file, ignoring lines starting with '#',
         * and get temperature array for HFS collision strengths */
        size_t nHFLines = 0;
        while( read_whole_line( chLine , (int)sizeof(chLine) , ioDATA ) != NULL )
        {
                if( chLine[0] == '#' )
                {
                        continue;
                }
                else if( strstr(chLine, "TDATA:") == NULL)
                {
                        Split(chLine, "\t", data, SPM_STRICT);
                        int Aiso  = atoi(data[0].c_str());
                        int nelem = atoi(data[1].c_str());
                        double  wavelength = atof(data[3].c_str());

                        if( abund.IsoAbn[nelem-1].getAbn( Aiso ) > 0 &&
                                WAVNRYD/wavelength > rfield.emm() )
                                ++nHFLines;
                }
                else
                {
                        Split(chLine, " ", data, SPM_STRICT);

                        if (data.size() <= 1)
                        {
                                fprintf(ioQQQ, "HyperfineCreate: Error: Invalid number of temperatures in 'TDATA:': %d\n",
                                                (int) data.size());
                                cdEXIT(EXIT_FAILURE);
                        }

                        Ntemp = data.size() - 1;
                        csTemp = (double *) MALLOC( (size_t)Ntemp*sizeof(double) );

                        int i = 0;
                        for (std::vector<string>::const_iterator it = data.begin(); it != data.end() && i <= Ntemp; it++, i++)
                        {
                                if(i == 0)
                                        continue;
                                csTemp[i-1] = atof((*it).c_str());
                        }
                }

                data.resize(0);
        }

        ASSERT(nHFLines > 0 && Ntemp > 0);
        for(int i = 0; i < Ntemp; i++)
        {
                ASSERT( csTemp[i] > phycon.TEMP_LIMIT_LOW       &&
                        csTemp[i] < phycon.TEMP_LIMIT_HIGH );
                if( i > 0 )
                        ASSERT(csTemp[i] > csTemp[i-1]);
                //      printf("i=%d\t t = %g\n", i, csTemp[i]);
        }

        /* allocate the transition HFLines array */
        HFLines.resize(nHFLines);
        AllTransitions.push_back(HFLines);

        /* initialize array to impossible values to make sure eventually done right */
        for( size_t i=0; i< HFLines.size(); ++i )
        {
                HFLines[i].Junk();
                HFLines[i].AddHiState();
                HFLines[i].AddLoState();
                HFLines[i].AddLine2Stack();
        }

        colstr = (t_ColStr *)MALLOC( (size_t)(HFLines.size())*sizeof(t_ColStr) );
        for (size_t j = 0; j < HFLines.size(); j++)
        {
                colstr[j].cs  = (double *) MALLOC( (size_t)(Ntemp)*sizeof(double) );
                colstr[j].cs2d= (double *) MALLOC( (size_t)(Ntemp)*sizeof(double) );
        }
        hyperfine.HFLabundance = (realnum *)MALLOC( (size_t)(HFLines.size())*sizeof(realnum) );


        /* now rewind the file so we can read it a second time*/
        if( fseek( ioDATA , 0 , SEEK_SET ) != 0 )
        {
                fprintf( ioQQQ, " Hyperfine could not rewind hyperfine.dat.\n");
                cdEXIT(EXIT_FAILURE);
        }

        /* check that magic number is ok, read the line */
        if( read_whole_line( chLine , (int)sizeof(chLine) , ioDATA ) == NULL )
        {
                fprintf( ioQQQ, " Hyperfine could not read first line of hyperfine.dat.\n");
                cdEXIT(EXIT_FAILURE);
        }

        /* check that magic number is ok, scan it in */
        {
                long j = 1;
                bool lgEOL;
                int year  = (int) FFmtRead(chLine,&j,sizeof(chLine),&lgEOL);
                int month = (int) FFmtRead(chLine,&j,sizeof(chLine),&lgEOL);
                int day   = (int) FFmtRead(chLine,&j,sizeof(chLine),&lgEOL);

                /* the following is the set of numbers that appear at the start of hyperfine.dat 13 02 09 */
                static int iYR=13,  iMN=10, iDY=18;
                if( ( year != iYR ) || ( month != iMN ) || ( day != iDY ) )
                {
                        fprintf( ioQQQ, 
                                " Hyperfine: the version of hyperfine.dat in the data directory is not the current version.\n" );
                        fprintf( ioQQQ, 
                                " I expected to find the number %i %i %i and got %i %i %i instead.\n" ,
                                iYR, iMN , iDY ,
                                year , month , day );
                        fprintf( ioQQQ, "Here is the line image:\n==%s==\n", chLine );
                        cdEXIT(EXIT_FAILURE);
                }
        }

        /* 
         * scan the string taken from Hyperfine.dat, parsing into
         * needed variables.
         * nelem is the atomic number.
         * IonStg is the ionization stage.  Atom = 1, Z+ = 2, Z++ = 3, etc.
         * Aul is used to find the oscillator strength in the function GetGF.
         * most of the variables are floats.
         */

        size_t j = 0;
        while( j < HFLines.size() && read_whole_line( chLine , (int)sizeof(chLine) , ioDATA ) != NULL )
        {
                /* skip lines starting with '#' or containing the temperature array */
                if( chLine[0] == '#' || strstr(chLine, "TDATA:") != NULL)
                        continue;

                Split(chLine, "\t", data, SPM_STRICT);
                int Aiso  = atoi(data[0].c_str());
                int nelem = atoi(data[1].c_str());
                double wavelength = atof(data[3].c_str());

                /* Ignore lines that fall beyond the lowest energy. */
                if( ! ( abund.IsoAbn[nelem-1].getAbn( Aiso ) > 0 &&
                        WAVNRYD/wavelength > rfield.emm() ) )
                {
                        data.resize(0);
                        continue;
                }

                (*HFLines[j].Hi()).nelem() = nelem;
                ASSERT((*HFLines[j].Hi()).nelem()  > 0);

                (*HFLines[j].Hi()).IonStg() = atoi(data[2].c_str());
                ASSERT((*HFLines[j].Hi()).IonStg() > 0);

                hyperfine.HFLabundance[j] = abund.IsoAbn[nelem-1].getAbn( Aiso );
                ASSERT(hyperfine.HFLabundance[j] >= 0.0 && hyperfine.HFLabundance[j] <= 1.0);

                HFLines[j].Emis().Aul() = (realnum) atof(data[4].c_str());
                HFLines[j].Emis().damp() = 1e-20f;

                (*HFLines[j].Hi()).g() = (realnum) (2*(abund.IsoAbn[nelem-1].getSpin( Aiso ) + .5) + 1);
                (*HFLines[j].Lo()).g() = (realnum) (2*(abund.IsoAbn[nelem-1].getSpin( Aiso ) - .5) + 1);

                /* account for inverted levels */
                if( abund.IsoAbn[nelem-1].getMagMom( Aiso ) < 0 )
                {
                        double  tmp = (*HFLines[j].Hi()).g();
                        (*HFLines[j].Hi()).g() = (*HFLines[j].Lo()).g();
                        (*HFLines[j].Lo()).g() = tmp;
                }

                double fenergyWN = MAX2(ENERGY_MIN_WN, 1.0 / wavelength);
                HFLines[j].WLAng() = (realnum)(wavelength * 1e8f);
                HFLines[j].EnergyWN() = (realnum) fenergyWN;

                HFLines[j].Emis().gf() = (realnum)(GetGF(HFLines[j].Emis().Aul(), fenergyWN, (*HFLines[j].Hi()).g()));
                ASSERT(HFLines[j].Emis().gf() > 0.0);

                (*HFLines[j].Lo()).nelem() = (*HFLines[j].Hi()).nelem();
                (*HFLines[j].Lo()).IonStg() = (*HFLines[j].Hi()).IonStg();

                //      printf("line %3ld:\t A= %2d\t Z= %2d\t Spin= %3.1f\t MagMom= %8.5f\t IonStg= %2d\t Frac= %6.4f\t"
                //              " Wl= %7.4f\t Aul= %.4e\t glo= %1.0f\t ghi= %1.0f\n",
                //              j, Aiso, nelem,
                //              abund.IsoAbn[nelem-1].getSpin( Aiso ),
                //              abund.IsoAbn[nelem-1].getMagMom( Aiso ),
                //              (*HFLines[j].Hi()).IonStg(),
                //              hyperfine.HFLabundance[j], wavelength, HFLines[j].Emis().Aul(),
                //              (*HFLines[j].Lo()).g(), (*HFLines[j].Hi()).g());

 
                if( data.size() > 6 )
                {
                        //      printf("data for line %ld\t %d\t %d:\t", j, nelem, (*HFLines[j].Hi()).IonStg());
                        for (int ij = 6, ii = 0; ij < (int) data.size() && ii < Ntemp; ij++, ii++)
                        {
                                colstr[j].cs[ii] = atof(data[ij].c_str());
                                ASSERT(colstr[j].cs[ii] >= 0.0);
                                //      printf("%g\t", colstr[j].cs[ii]);
                        }
                        //      printf("\n");
                        spline(csTemp, colstr[j].cs, Ntemp, 2e31, 2e31, colstr[j].cs2d);
                }
                else
                {
                        MakeCS( HFLines[j] );
                        free( colstr[j].cs );   colstr[j].cs   = NULL;
                        free( colstr[j].cs2d ); colstr[j].cs2d = NULL;
                }

                data.resize(0);

                j++;
        }
        fclose(ioDATA);

        ASSERT( j == HFLines.size() );

        /* Discard no-longer needed nuclear data */
        for( long nelem = 0; nelem < LIMELM; nelem++ )
                abund.IsoAbn[nelem].rm_nuc_data();


#       if 0
        /* for debugging and developing only */
        /* calculating the luminosity for each isotope */
        for(int i = 0; i < HFLines.size(); i++)
        {
                N = dense.xIonDense[(*HFLines[i].Hi()).nelem()-1][(*HFLines[i].Hi()).IonStg()-1];
                Ne = dense.eden;

                h = 6.626076e-27;                       /* erg * sec */
                c = 3e10;                                       /* cm / sec      */
                k = 1.380658e-16;                       /* erg / K   */

                upsilon = HyperfineCS(i);
                                /*statistical weights must still be identified */
                q21 = COLL_CONST * upsilon / (phycon.sqrte * (*HFLines[i].Hi()).g());

                q12 = (*HFLines[i].Hi()).g()/ (*HFLines[i].Lo()).g() * q21 * exp(-1 * h * c * HFLines[i].EnergyWN / (k * phycon.te)); 

                x = Ne * q12 / (HFLines[i].Emis().Aul() * (1 + Ne * q21 / HFLines[i].Aul()));
                HFLines[i].xIntensity() = N * HFLines[i].Emis().Aul() * x / (1.0 + x) * h * c / (HFLines[i].EnergyAng() / 1e8);

        }
#       endif

        return;
}


/*HyperfineCS returns interpolated collision strength for transition index i */
double HyperfineCS( size_t i )
{
        double  upsilon;

        DEBUG_ENTRY( "HyperfineCS()" );

        ASSERT( i >= 0. && i < HFLines.size() );

        if( colstr[i].cs == NULL )
                return  HFLines[i].Coll().col_str();

        if( phycon.te <= csTemp[0])
        {
                /* constant CS, if temperature below bounds of table */
                upsilon = colstr[i].cs[0];
        }
        else if(  phycon.te >= csTemp[Ntemp-1])
        {
                /* extrapolate, if temperature above bounds of table */
                int j = Ntemp - 1;
                double slope = log10(colstr[i].cs[j-1]/colstr[i].cs[j]) / log10(csTemp[j-1]/csTemp[j]);
                upsilon = log10(phycon.te/csTemp[j])*slope + log10(colstr[i].cs[j]);
                upsilon = exp10( upsilon);
        }
        else
        {
                splint( csTemp, colstr[i].cs, colstr[i].cs2d, Ntemp, phycon.te, &upsilon );
        }

        return upsilon;
}