parse_interp.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 */
/*ParseInterp parse parameters on interpolate command */
#include "cddefines.h"
#include "called.h"
#include "rfield.h"
#include "trace.h"
#include "input.h"
#include "parser.h"

void ParseInterp(Parser &p)
{
        DEBUG_ENTRY( "ParseInterp()" );

        /* 
         * this sub reads in the "interpolate" command, and has
         * logic for the "continue" lines as well.
         * OUTPUT:
         * TNU is vector of energies where the grid is defined
         * TSLOP initially is vector of log fnu at each freq
         * converted into slopes here too
         */

        if( rfield.nShape >= LIMSPC )
        {
                fprintf( ioQQQ, " Too many spectra entered.  Increase LIMSPC\n" );
                cdEXIT(EXIT_FAILURE);
        }

        // we reserve space for 1000 table points, no worries if that is too small though...
        ASSERT( rfield.tNu[rfield.nShape].empty() );
        rfield.tNu[rfield.nShape].reserve( 1000 );
        ASSERT( rfield.tslop[rfield.nShape].empty() );
        rfield.tslop[rfield.nShape].reserve( 1000 );
        ASSERT( rfield.tFluxLog[rfield.nShape].empty() );
        rfield.tFluxLog[rfield.nShape].reserve( 1000 );

        strcpy( rfield.chSpType[rfield.nShape], "INTER" );

        /* read all of the numbers on a line */
        long npairs = 0;

        /* this is flag saying that all numbers are in */
        bool lgDONE = false;

        /* this flag says we hit end of command stream */
        p.m_lgEOF = false;
        while( !lgDONE && !p.m_lgEOF )
        {
                /* keep scanning numbers until we hit eol for current line image */
                while( true )
                {
                        Energy E( p.FFmtRead() );
                        realnum FluxLog = (realnum)p.FFmtRead();
                        if( p.lgEOL() )
                                break;
                        rfield.tNu[rfield.nShape].push_back( E );
                        rfield.tFluxLog[rfield.nShape].push_back( FluxLog );
                        ++npairs;
                }

                do
                {
                        /* read a new line, checking for EOF */
                        p.getline();
                        
                        /* option to ignore all comment lines. 
                         * >>chng 06 sep 04 use routine to check for comments */
                }
                while( !p.m_lgEOF && p.isComment());

                /* print the line, but only if it is a continue line */
                if( called.lgTalk && p.hasCommand("CONT") )
                {
                        p.echo();
                }

                /* is this a continue line? */
                if( ! p.hasCommand("CONT") )
                {
                        /* we have a line but next command, not continue */
                        lgDONE = true;
                }

                /* this is another way to hit end of input stream - blank lines */
                if( p.last() )
                        p.m_lgEOF = true;
        }

        /* if valid next line, backup one line */
        if( lgDONE )
        {
                --input.nRead;
        }

        /* done reading all of the possible lines */
        if( npairs < 2 )
        {
                fprintf( ioQQQ, "There must be at least 2 pairs to interpolate,\nSorry\n" );
                cdEXIT(EXIT_FAILURE);
        }

        if( rfield.tNu[rfield.nShape][0].Ryd() == 0. )
        {
                /* special case - if first energy is zero then it is low energy */
                if( rfield.tNu[rfield.nShape][1].Ryd() > 0. )
                {
                        /* second energy positive, assume linear Ryd */
                        rfield.tNu[rfield.nShape][0].set(rfield.emm());
                }
                else if( rfield.tNu[rfield.nShape][1].Ryd() < 0. )
                {
                        /* second energy negative, assume log of Ryd */
                        rfield.tNu[rfield.nShape][0].set(log10(rfield.emm()));
                }
                else
                {
                        /* second energy zero, not allowed */
                        fprintf( ioQQQ, 
                                "An energy of zero was entered for element%3ld in INTERPOLATE and is not allowed.\nSorry\n", 
                          rfield.nShape );
                        cdEXIT(EXIT_FAILURE);
                }
        }

        /* convert from log(Hz) to Ryd if first nu>5 */
        if( rfield.tNu[rfield.nShape][0].Ryd() >= 5. )
        {
                for( long i=0; i < npairs; i++ )
                {
                        if( rfield.tNu[rfield.nShape][i].Ryd()>300.)
                        {
                                fprintf(ioQQQ,"DISASTER in INTERPPLATE command syntax\n");
                                fprintf(ioQQQ,"log of photon energy in Hz was entered, but the value, %g is too large.\nSorry.\n",
                                                rfield.tNu[rfield.nShape][i].Ryd());
                                cdEXIT(EXIT_FAILURE);
                        }
                        rfield.tNu[rfield.nShape][i].set( 
                                exp10(rfield.tNu[rfield.nShape][i].Ryd())/FR1RYD);
                }
        }
        else if( rfield.tNu[rfield.nShape][0].Ryd() < 0. )
        {
                /* energies entered as logs */
                for( long i=0; i < npairs; i++ )
                {
                        rfield.tNu[rfield.nShape][i].set(
                                exp10((double)rfield.tNu[rfield.nShape][i].Ryd()));
                }
        }
        else
        {
                /* numbers are linear Rydbergs */
                for( long i=0; i < npairs; i++ )
                {
                        if( rfield.tNu[rfield.nShape][i].Ryd() == 0. )
                        {
                                fprintf( ioQQQ, "An energy of zero was entered for pair %3ld in INTERPOLATE and is not allowed.\nSorry\n",
                                  i );
                                cdEXIT(EXIT_FAILURE);
                        }
                }
        }

        /* option to print debugging file then exit */
        {
                /* following should be set true to print information */
                enum {DEBUG_LOC=false};
                if( DEBUG_LOC )
                {
                        for( long i=0; i < npairs; i++ )
                        {
                                fprintf(ioQQQ,"%.4e\t%.3e\n",
                                        rfield.tNu[rfield.nShape][i].Ryd(),
                                        exp10((double)rfield.tFluxLog[rfield.nShape][i]) * rfield.tNu[rfield.nShape][i].Ryd());
                        }
                        cdEXIT(EXIT_SUCCESS);
                }
        }

        for( long i=0; i < npairs-1; i++ )
        {
                /* check that frequencies are monotonically increasing */
                if( rfield.tNu[rfield.nShape][i+1].Ryd() <= rfield.tNu[rfield.nShape][i].Ryd() )
                {
                        fprintf( ioQQQ, "The energies MUST be in increasing order.  Energy #%3ld=%10.2e Ryd was greater than or equal to the next one.\nSorry.\n", 
                                i, rfield.tNu[rfield.nShape][i].Ryd() );
                        cdEXIT(EXIT_FAILURE);
                }

                /* TFAC is energy, and TSLOP is slope in f_nu; not photons */
                rfield.tslop[rfield.nShape].push_back(
                        (realnum)((rfield.tFluxLog[rfield.nShape][i+1]-rfield.tFluxLog[rfield.nShape][i])/
                                  log10(rfield.tNu[rfield.nShape][i+1].Ryd()/rfield.tNu[rfield.nShape][i].Ryd()))
                        );
        }
        rfield.tslop[rfield.nShape].push_back( 0. );

        /* now check that array is defined over all energies */
        if( rfield.tNu[rfield.nShape][0].Ryd() > rfield.emm() )
        {
                /* not defined over low energy part of array */
                fprintf( ioQQQ, 
                        "\n NOTE The incident continuum was not defined over the entire energy range. Some energies are set to zero.\n" );
                fprintf( ioQQQ, 
                        " NOTE You may be making a BIG mistake.\n\n" );
        }

        /* check on IR */
        if( rfield.tNu[rfield.nShape][0].Ryd() > rfield.emm() )
                rfield.lgMMok = false;

        if( rfield.tNu[rfield.nShape][0].Ryd() > 1/36. )
                rfield.lgHPhtOK = false;

        /* gamma ray, EGAMRY is roughly 100MeV */
        if( rfield.tNu[rfield.nShape][npairs-1].Ryd() < rfield.egamry() )
                rfield.lgGamrOK = false;

        /* EnerGammaRay is roughly 100keV; high is gamma ray */
        if( rfield.tNu[rfield.nShape][npairs-1].Ryd() < rfield.EnerGammaRay )
                rfield.lgXRayOK = false;

        /* renormalize continuum so that flux we will interpolate upon passes through unity
         * at near 1 Ryd.  but first we must find 1 Ryd in the array.
         * find 1 Ryd, npairs is one less than number of continuum pairs */
        /* If no flux is defined at 1 Ryd, use the nearest endpoint of the supplied spectrum */
        long n;
        for( n=0; n < npairs; n++ )
        {
                if( rfield.tNu[rfield.nShape][n].Ryd() > 1. )
                        break;
        }
        /* if present, n is now the table point where rfield.tNuRyd[n-1] is <= 1 ryd,
         * and rfield.tNuRyd[n] > 1 ryd; max(n-1,0) is the nearest endpoint otherwise */
        realnum fac = rfield.tFluxLog[rfield.nShape][max(n-1,0)];

        for( long i=0; i < npairs; i++ )
        {
                rfield.tFluxLog[rfield.nShape][i] -= fac;
                /*fprintf(ioQQQ,"DEBUG parse %li %e \n", i , rfield.tFluxLog[rfield.nShape][i] );*/
        }

        /* option to print out results at this stage - "trace continuum" */
        if( trace.lgConBug && trace.lgTrace )
        {
                fprintf( ioQQQ, " Table for this continuum;\ni\tTNU\tTFAC\tTSLOP, npairs=%li\n",
                         npairs );
                for( long i=0; i < npairs-1; i++ )
                {
                        fprintf( ioQQQ, "%li\t%.4e\t%.4e\t%.4e\n", 
                                 i , rfield.tNu[rfield.nShape][i].Ryd(), 
                                 rfield.tFluxLog[rfield.nShape][i], rfield.tslop[rfield.nShape][i] );
                }
                fprintf( ioQQQ, "%li\t%.4e\t%.4e\n", 
                         npairs , rfield.tNu[rfield.nShape][npairs].Ryd(), 
                         rfield.tFluxLog[rfield.nShape][npairs]);
        }

        /* finally check that we are within dynamic range of this cpu */
        double cmin = log10( FLT_MIN );
        double cmax = log10( FLT_MAX );
        bool lgHit = false;
        for( long i=0; i < npairs; i++ )
        {
                if( rfield.tFluxLog[rfield.nShape][i] <= cmin || 
                    rfield.tFluxLog[rfield.nShape][i] >= cmax )
                {
                        fprintf(ioQQQ,
                                " The log of the flux specified in interpolate pair %li is not within dynamic range of this CPU - please rescale.\n",i);
                        fprintf(ioQQQ,
                                " The photon energy is %f Rydberg and the log of the flux is %f.\n\n",
                                rfield.tNu[rfield.nShape][i].Ryd() , 
                                rfield.tFluxLog[rfield.nShape][i]);
                        lgHit = true;
                }
        }
        if( lgHit )
        {
                fprintf(ioQQQ,"\n NOTE The log of the flux given in an interpolate command is outside the range of this cpu.\n");
                fprintf(ioQQQ," NOTE I will try to renormalize it to be within the range of this cpu, but if I crash, this is a likely reason.\n");
                fprintf(ioQQQ," NOTE Note that the interpolate command only is used for the shape of the continuum.\n");
                fprintf(ioQQQ," NOTE The order of magnitude of the flux is not used in any way.\n");
                fprintf(ioQQQ," NOTE For safety this could be of order unity.\n\n");
        }

        rfield.ncont[rfield.nShape] = npairs;

        ASSERT( rfield.tNu[rfield.nShape].size() == (size_t)npairs );
        ASSERT( rfield.tFluxLog[rfield.nShape].size() == (size_t)npairs );
        ASSERT( rfield.tslop[rfield.nShape].size() == (size_t)npairs );

        /* now increment number of continua */
        ++rfield.nShape;

        return;
}