atmdat.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 */
#include "cddefines.h"
#include "atmdat.h"
#include "thirdparty.h"
t_atmdat atmdat;

void t_atmdat::zero()
{
        DEBUG_ENTRY( "t_atmdat::zero()" );
        nsbig = 0;

        /***************************************************
         * charge transfer ionization and recombination 
         ***************************************************/
        /* HCharHeatMax, HCharCoolMax are largest fractions of heating in cur zone
         * or cooling due to ct */
        HCharHeatMax = 0.;
        HCharCoolMax = 0.;

        for ( long nelem=0; nelem < t_atmdat::NCX; ++nelem)
        {
                CharExcIonTotal[nelem] = 0.;
                CharExcRecTotal[nelem] = 0.;
        }
        HIonFrac = 0.;
        HIonFracMax = 0.;
        /* option to turn off all charge transfer, turned off with no charge transfer command */
        lgCTOn = true;

        /* flag saying that charge transfer heating should be included,
         * turned off with no CTHeat commmand */
        HCharHeatOn = 1.;
        for( long nelem1=0; nelem1 < t_atmdat::NCX; ++nelem1)
        {
                for( long nelem=0; nelem< LIMELM; ++nelem )
                {
                        for( long ion=0; ion<LIMELM; ++ion )
                        {
                                CharExcIonOf[nelem1][nelem][ion] = 0.;
                                CharExcRecTo[nelem1][nelem][ion] = 0.;
                        }
                }
        }

        /* >>chng 97 jan 6, from 0 to 8.5e-10*q as per Alex Dalgarno e-mail
         * >>chng 97 feb 6, from 8.5e-10*q 1.92e-9x as per Alex Dalgarno e-mail */
        HCTAlex = 1.92e-9;

        lgInnerShellLine_on = true;
        lgInnerShell_Kisielius = true;
        lgUTAprint = false;
}

const double t_atmdat::aulThreshold = 1e-29;

double ****HS_He1_Xsectn;
double ****HS_He1_Energy;
double *****OP_Helike_Xsectn;
double *****OP_Helike_Energy;
long ****OP_Helike_NumPts;

void ReadCollisionRateTable( CollRateCoeffArray& coll_rate_table, FILE* io, FunctPtr GetIndices, long nMolLevs, long nTemps, long nTrans )
{
        DEBUG_ENTRY( "ReadCollisionRateTable()" );

        char chLine[INPUT_LINE_LENGTH] = "";

        // negative nTrans and/or nTemps will be signal that the numbers are not already known
        // They should never be zero.
        ASSERT( nTemps != 0 && nTrans != 0 );

        // Get the row of temperatures 
        while( read_whole_line( chLine, (int)sizeof(chLine), io ) != NULL )
        {
                if( chLine[0] == '!' || chLine[0] == '#' || chLine[0] == '\n' )
                        continue;
                else
                        break;
        }
        ASSERT( strlen( chLine ) > 0 );

        // fill the temperature array
        {
                char *chColltemp = strtok(chLine," \t\n");
                while( chColltemp != NULL )
                {
                        coll_rate_table.temps.push_back( atof(chColltemp) );
                        chColltemp = strtok(NULL," \t\n");
                }

                if( nTemps < 0 )
                        nTemps = coll_rate_table.temps.size();
                else
                        ASSERT( (unsigned)nTemps == coll_rate_table.temps.size() );
        }

        ASSERT( coll_rate_table.collrates.size() == 0 );
        coll_rate_table.collrates.reserve( nMolLevs );
        for( long ipHi=0; ipHi<nMolLevs; ipHi++ )
        {
                coll_rate_table.collrates.reserve( ipHi, nMolLevs );
                for( long ipLo=0; ipLo<nMolLevs; ipLo++ )
                {
                        coll_rate_table.collrates.reserve( ipHi, ipLo, nTemps );
                }
        }
        coll_rate_table.collrates.alloc();
        // initialize to zero
        coll_rate_table.collrates.zero();

        long ipTrans = 0;
        while( read_whole_line( chLine, (int)sizeof(chLine), io ) != NULL )
        {
                if( chLine[0] == '!' || chLine[0] == '#' || chLine[0] == '\n' )
                        continue;

                long i = 1;
                long ipHi = -1, ipLo = -1;
                (*GetIndices)( ipHi, ipLo, chLine, i );
                ipTrans++;

                // sentinel that transition will not be used for whatever reason
                if( ipHi == -1 && ipLo == -1 )
                        continue;

                // skip these lines
                if( ipLo >= nMolLevs || ipHi >= nMolLevs )
                {
                        if( nTrans > 0 && ipTrans == nTrans )
                                break;
                        else
                                continue;
                }

                /* Indices between the very highest levels seem to be reversed */
                if( ipHi < ipLo )
                {
                        ASSERT( ipLo == nMolLevs - 1);
                        long temp = ipHi;
                        ipHi = ipLo;
                        ipLo = temp;
                }

                ASSERT( ipHi >= 0 );
                ASSERT( ipLo >= 0 );

                bool lgEOL = false;
                for( long j = 0; j < nTemps; ++j )
                {
                        coll_rate_table.collrates[ipHi][ipLo][j] = 
                                (double)FFmtRead( chLine, &i, sizeof(chLine), &lgEOL );
                        ASSERT( !lgEOL );
                }
        
                // try to read one more and assert that it gets lgEOL   
                FFmtRead( chLine, &i, sizeof(chLine), &lgEOL );
                ASSERT( lgEOL );

                {
                        enum {DEBUG_LOC=false};
                        if( DEBUG_LOC )
                        {
                                printf("The values of up and lo are %ld & %ld \n",ipHi,ipLo);
                                printf("The collision rates are");
                                for( long i = 0; i < nTemps; ++i )
                                {
                                        printf( "\n %e", coll_rate_table.collrates[ipHi][ipLo][i]);
                                }
                                printf("\n");
                        }
                }

                if( nTrans > 0 && ipTrans == nTrans )
                        break;
        }
        ASSERT( ipTrans > 0 );
        if( nTrans > 0 )
                ASSERT( ipTrans == nTrans );

        return;
}

double InterpCollRate( const CollRateCoeffArray& rate_table, const long& ipHi, const long& ipLo, const double& ftemp)
{
        DEBUG_ENTRY( "InterpCollRate()" );
        double ret_collrate = 0.;

        if( rate_table.temps.size() == 0 )
        {
                return 0.;
        }

        if( ftemp < rate_table.temps[0] )
        {
                ret_collrate = rate_table.collrates[ipHi][ipLo][0];
        }
        else if( ftemp > rate_table.temps.back() )
        {
                ret_collrate = rate_table.collrates[ipHi][ipLo][ rate_table.temps.size()-1 ];
        }
        else if( rate_table.temps.size() == 1 )
        {
                // lamda data files can have only one temperature (see cn.dat as of Feb. 10, 2009)
                ret_collrate = rate_table.collrates[ipHi][ipLo][0];
        }
        else
        {
                ret_collrate = linint(&rate_table.temps[0],
                        &rate_table.collrates[ipHi][ipLo][0],
                        rate_table.temps.size(),
                        ftemp);
        }

        ASSERT( !isnan( ret_collrate ) );
        return(ret_collrate);
}