parse_compile.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 */
/*ParseCompile compile Werner or kurucz model atmospheres into cloudy format, originally by K Volk,
 * also compile opacity and grains  */
#include "cddefines.h"
#include "continuum.h"
#include "dense.h"
#include "iso.h"
#include "grains.h"
#include "rfield.h"
#include "stars.h"
#include "parser.h"

void ParseCompile(Parser &p)
{
        long int ncell;
        char 
          chRFI[FILENAME_PATH_LENGTH_2],
          chSZD[FILENAME_PATH_LENGTH_2];

        DEBUG_ENTRY( "ParseCompile()" );

        /* >>chng 01 aug 24, remove compile opacity command */
        /* this option to compile opacities into file for later use */
        if( p.nMatch("OPAC") )
        {
                fprintf( ioQQQ, "The COMPILE OPACITIES command is currently not supported\n" );
                cdEXIT(EXIT_FAILURE);

#       if 0
                /* calls fill to set up continuum energy mesh if first call, 
                 * otherwise reset to original mesh */
                ContCreateMesh();

                /* read in some external data files, but only if this is first call */
                atmdat_readin();

                /* first generate the frequency array */
                ContCreatePointers();

                Badnell_rec_init();

                /* say that we want to compile the opacities */
                opac.lgCompileOpac = true;

                /* generate initial set of opacities but only if this is the first call 
                 * in this coreload */
                OpacityCreateAll();

                fprintf(ioQQQ, 
                        "Success!!  Created file opacity.opc\nMake sure this is on the path.\n" );
                cdEXIT(EXIT_SUCCESS);
#       endif
        }

        /* >>chng 00 apr 27, modified for arbitrary file names by PvH
         *
         * this option to compile grains into file for later use
         *
         * the command supports the following syntax:
         *
         * COMPILE GRAINS
         *     compile a standard set of opacity files
         *
         * COMPILE GRAINS <refr-ind-file> <size-distr-file> [ <no-bins> ]
         *     compile a single opacity file
         *
         * Remarks:
         * - the parameters of this command can be supplied in arbitrary order.
         * - the file names can either be supplied as names between quotes or
         *   as keywords; it is allowed to use a filename between quotes for
         *   one file and a keyword for the other file; both names have to be
         *   present in either form, there are no defaults.
         * - filenames are recognized by their extension: .rfi or .mix for
         *   refractive index files, and .szd for size distribution files,
         *   this allows their sequence to be arbitrary.
         * - the number-of-bins parameter is optional, it is defaulted to 10.
         *
         * NB NB NB NB NB NB NB NB NB NB NB NB NB
         *
         * - in order not to upset FFmtRead for reading the number-of-bins
         *   parameter, all file names and keywords should be read first and
         *   erased after being read ! to assure that all digits are erased,
         *   the keywords 0M010, 0M100 and 1M000 are matched on all 5 characters.
         *   if keywords are known not to contain digits or minus signs, erasing
         *   is not necessary of course....
         */
        if( p.nMatch("GRAI") )
        {

                /* calls fill to set up continuum energy mesh if first call, 
                 * otherwise reset to original mesh */
                ContCreateMesh();
                /* >>chng 06 dec 13, this had been followed by calls to atmdat_readin &
                 * ConCreatePointer which had problems because the code was not
                 * fully initialized yet.  Compile stars and compile grains would
                 * fail on mallocing an array of length zero */

                chRFI[0] = '\0';
                chSZD[0] = '\0';

                /* get first filename (either .rfi or .szd file) */
                if( p.nMatch( "\"" ) )
                {
                        string chRead;
                        if (p.GetQuote(chRead ))
                                p.StringError();
                        if( strstr_s(chRead.c_str(),".rfi") != NULL || strstr_s(chRead.c_str(),".mix") != NULL ) 
                        {
                                strcpy(chRFI,chRead.c_str());
                        }
                        else if( strstr_s(chRead.c_str(),".szd") != NULL ) 
                        {
                                strcpy(chSZD,chRead.c_str());
                        }
                        else 
                        {
                                fprintf( ioQQQ, " filename %s has unknown extension, sorry\n" , chRead.c_str() );
                                cdEXIT(EXIT_FAILURE);
                        }
                }

                /* get second filename (either .rfi or .szd file) */
                if( p.nMatch( "\"" ) )
                {
                        string chRead;
                        if (p.GetQuote(chRead ))
                                p.StringError();
                        if( strstr_s(chRead.c_str(),".rfi") != NULL || strstr_s(chRead.c_str(),".mix") != NULL ) 
                        {
                                strcpy(chRFI,chRead.c_str());
                        }
                        else if( strstr_s(chRead.c_str(),".szd") != NULL ) 
                        {
                                strcpy(chSZD,chRead.c_str());
                        }
                        else 
                        {
                                fprintf( ioQQQ, " filename %s has unknown extension, sorry\n" , chRead.c_str() );
                                cdEXIT(EXIT_FAILURE);
                        }
                }

                /* if no .rfi file was supplied between quotes, check for keywords */
                if( chRFI[0] == '\0' ) 
                {
                        /* check on index of refraction names */
                        if( p.nMatchErase("AC1-") )
                        {
                                /* amorphous carbon from Rouleau & Martin 1991 */
                                strcpy(chRFI , "ac1-amcarb.rfi" );
                                /* erase this keyword, it upsets FFmtRead */
                        }
                        else if( p.nMatchErase("BE1-"))
                        {
                                /* amorphous carbon from Rouleau & Martin 1991 */
                                strcpy(chRFI , "be1-amcarb.rfi" );
                                /* erase this keyword, it upsets FFmtRead */                            
                        }
                        else if( p.nMatch( "GRAP") )
                        {
                                /* graphite */
                                strcpy(chRFI , "graphite.rfi" );
                        }
                        else if( p.nMatch( "SILI" ) )
                        {
                                /* astronomical silicate */
                                strcpy(chRFI , "silicate.rfi" );
                        }
                        else if( p.nMatch( " SIC" ) )
                        {
                                /* alpha-SiC */
                                strcpy(chRFI , "sic.rfi" );
                        }
                        else if( p.nMatch( " PAH" ) )
                        {
                                /* original PAHs */
                                strcpy(chRFI , "pah1.rfi" );
                        }
                        else if( p.nMatch( "GREY" ) || p.nMatch( "GRAY" ))
                        {
                                strcpy(chRFI , "grey.rfi" );
                        }
                }

                /* if no .szd file was supplied between quotes, check for keywords */
                if( chSZD[0] == '\0' ) 
                {
                        /* check on size distribution */
                        if( p.nMatchErase("0M010") )
                        {
                                strcpy(chSZD , "0m010.szd" );
                        }
                        else if( p.nMatchErase("0M100") )
                        {
                                strcpy(chSZD , "0m100.szd" );
                        }
                        else if( p.nMatchErase("1M000") )
                        {
                                strcpy(chSZD , "1m000.szd" );
                        }
                        else if( p.nMatch( "ORIO" ) )
                        {
                                strcpy(chSZD , "orion.szd" );
                        }
                        else if( p.nMatch( " ISM" ) )
                        {
                                strcpy(chSZD , "ism.szd" );
                        }
                        else if( p.nMatchErase("AB08") )
                        {
                                /* Abel et al., 2008 size distribution */
                                strcpy(chSZD , "ab08.szd" );
                        }
                        else if( p.nMatchErase("C15") )
                        {
                                /* small PAH, 15 C atoms */
                                strcpy(chSZD , "c15.szd" );
                        }
                        else if( p.nMatchErase("C120") )
                        {
                                /* large PAH, 120 C atoms */
                                strcpy(chSZD , "c120.szd" );
                        }
                }

                /* the user has to supply either both the .rfi and .szd files, or neither
                 * (to compile the complete standard set of files); anything else is illegal */
                if( chRFI[0] == '\0' && chSZD[0] != '\0' )
                {
                        fprintf(ioQQQ,"Sorry, but I did not recognize a refractive index file.\n");
                        fprintf(ioQQQ,"Supply a file name between quotes or one of the following ");
                        fprintf(ioQQQ,"keywords: ac1-amcarb, be1-amcarb, graphite, silicate, grey, pah\n");
                        cdEXIT(EXIT_FAILURE);
                }

                if( chSZD[0] == '\0' && chRFI[0] != '\0' )
                {
                        fprintf(ioQQQ,"Sorry, but I did not recognize a size distribution file.\n");
                        fprintf(ioQQQ,"Supply a file name between quotes or one of the following ");
                        fprintf(ioQQQ,"keywords: 0m010, 0m100, 1m000, ism, orion, c15, c120, ab08\n");
                        cdEXIT(EXIT_FAILURE);
                }

                /* compile the complete standard set of files */
                if( chRFI[0] == '\0' && chSZD[0] == '\0' )
                {
                        /* ism graphite, single bin */
                        mie_write_opc( "graphite.rfi" , "ism.szd" , 1 );

                        /* ism silicate, single bin */
                        mie_write_opc( "silicate.rfi" , "ism.szd" , 1 );

                        /* ism graphite, 10 bins */
                        mie_write_opc( "graphite.rfi" , "ism.szd" , 10 );

                        /* ism silicate, 10 bins */
                        mie_write_opc( "silicate.rfi" , "ism.szd" , 10 );

                        /* orion graphite, single bin */
                        mie_write_opc( "graphite.rfi" , "orion.szd" , 1 );

                        /* orion silicate, single bin */
                        mie_write_opc( "silicate.rfi" , "orion.szd" , 1 );

                        /* orion graphite, 10 bins */
                        mie_write_opc( "graphite.rfi" , "orion.szd" , 10 );

                        /* orion silicate, 10 bins */
                        mie_write_opc( "silicate.rfi" , "orion.szd" , 10 );

                        /* 0.01 micron silicate */
                        mie_write_opc( "silicate.rfi" , "0m010.szd" , 1 );

                        /* 0.1 micron silicate */
                        mie_write_opc( "silicate.rfi" , "0m100.szd" , 1 );

                        /* 1 micron silicate */
                        mie_write_opc( "silicate.rfi" , "1m000.szd" , 1 );

                        /* 0.01 micron graphite */
                        mie_write_opc( "graphite.rfi" , "0m010.szd" , 1 );

                        /* 0.1 micron graphite */
                        mie_write_opc( "graphite.rfi" , "0m100.szd" , 1 );

                        /* 1 micron graphite */
                        mie_write_opc( "graphite.rfi" , "1m000.szd" , 1 );

                        /* grey single bin */
                        mie_write_opc( "grey.rfi" , "ism.szd" , 1 );

                        /* grey resolved distribution */
                        mie_write_opc( "grey.rfi" , "ism.szd" , 10 );

                        /* small pah */
                        mie_write_opc( "pah1.rfi" , "c15.szd" , 1 );

                        /* large pah */
                        mie_write_opc( "pah1.rfi" , "c120.szd" , 1 );

                        /* distributed pah */
                        mie_write_opc( "pah1.rfi" , "ab08.szd" , 10 );

                        /* single pah */
                        mie_write_opc( "pah1.rfi" , "ab08.szd" , 1 );
                }
                /* this option is to compile a single type of grain */
                else
                {
                        ncell = (long)p.FFmtRead();
                        if( p.lgEOL() )
                        {
                                /* the default, 10 cells */
                                ncell = 10;
                        }
                        if( ncell <= 0 )
                        {
                                fprintf(ioQQQ,"Number of bins must be positive.  Sorry.\n");
                                cdEXIT(EXIT_FAILURE);
                        }
                        /* this actually does the work */
                        mie_write_opc( chRFI , chSZD , ncell );
                }

                fprintf(ioQQQ, 
                        "Success!!  Created grain opacity file(s).\nMake sure this directory is on the path.\n" );
                cdEXIT(EXIT_SUCCESS);
        }

        /* compile recombination coefficients command */
        else if( p.nMatch("RECO") && p.nMatch("COEF") )
        {
                long ipISO;
                int nelem;

                if( p.nMatch("H-LI") )
                        ipISO = ipH_LIKE;
                else if( p.nMatch("HE-L") )
                        ipISO = ipHE_LIKE;
                else
                {
                        fprintf(ioQQQ,"Sorry, but I did not recognize an iso sequence.\n");
                        fprintf(ioQQQ,"The available options are H-like and He-like.\nSorry.\n");
                        cdEXIT(EXIT_FAILURE);
                }

                /* compile he-like command - compiles table of recombination coeficients */
                iso_ctrl.lgCompileRecomb[ipISO] = true;

                /* we will want to create the rec coefficient for a large number of levels, then stop.
                 * this sets the number of levels to a large number.  macro is in helike.h */
                for( nelem = ipISO; nelem < LIMELM; nelem++)
                {
                        long maxN;
                        dense.lgElmtOn[nelem] = true;
                        iso_sp[ipISO][nelem].nCollapsed_max = 0;

                        if( nelem == ipISO )
                                maxN = RREC_MAXN;
                        else
                                maxN = LIKE_RREC_MAXN( nelem );

                        iso_sp[ipISO][nelem].n_HighestResolved_max = maxN;

                        iso_update_num_levels( ipISO, nelem );
                }
        }

        else if( p.nMatch("STAR") )
        {
                bool lgProblems = false;

                /* check that frequency mesh is set up */
                ASSERT( rfield.lgMeshSetUp() );

                if( p.nMatch( "\"" ))
                {
                        /* this is branch for for user-supplied *.ascii file */

                        /* this will both scan in whatever label is inside the quotes in OrgCard, 
                         * but also remove the contents there and in chCard,
                         * so that following keywords will not trigger off it */
                        string chRead;
                        if (p.GetQuote( chRead ))
                                p.StringError();

                        string::size_type ptr = chRead.rfind('.');
                        if( ptr != string::npos )
                        {
                                if( chRead.substr(ptr) == ".ascii" )
                                {
                                        lgProblems = GridCompile( chRead.c_str() );
                                }
                                else if( chRead.substr(ptr) == ".stb99" )
                                {
                                        // keyword to only include the stellar component
                                        // default is to include both the stellar and nebular component
                                        sb_mode mode;
                                        if( p.nMatch( "STEL" ) )
                                                mode = SB_STELLAR;
                                        else if( p.nMatch( "NEBU" ) )
                                                mode = SB_NEBULAR;
                                        else
                                                mode = SB_TOTAL;
                                        string chASC(chRead.c_str(), ptr);
                                        chASC += ".ascii";
                                        fprintf( ioQQQ, " Creating %s....\n", chASC.c_str() );
                                        lgProblems = StarburstInitialize( chRead.c_str(), chASC.c_str(), mode );
                                        lgProblems = lgProblems || GridCompile( chASC.c_str() );
                                }
                                else
                                {
                                        fprintf( ioQQQ, " I did not recognize this file extension: %s\n",
                                                 chRead.substr(ptr).c_str() );
                                        lgProblems = true;
                                }
                        }
                        else
                        {
                                fprintf( ioQQQ, " I did not find any file extension: %s\n", chRead.c_str() );
                                lgProblems = true;
                        }
                }
                else
                {
                        /* this branch is intended to convert ascii versions of stellar
                         * atmosphere grids into a direct access version for faster access.
                         * the original file is usually named *.ascii, and the new direct
                         * access file will always be named *.mod.
                         * - if the *.ascii file does not exist, the grid will be skipped
                         * - if the *.ascii file exists, but the *.mod file does not, or is
                         *   out of date, a new *.mod file will be generated
                         * - if the *.mod file is up to date, it will not be touched. */

                        process_counter pc;

                        /* These are the current Atlas grids */
                        lgProblems = lgProblems || AtlasCompile(pc);
                        /* do the costar OB stars */
                        lgProblems = lgProblems || CoStarCompile(pc);
                        /* legacy Atlas grid - for backward compatibility only */
                        lgProblems = lgProblems || Kurucz79Compile(pc);
                        /* Mihalas grid - for backward compatibility only */
                        lgProblems = lgProblems || MihalasCompile(pc);
                        /* do the rauch PN central stars */
                        lgProblems = lgProblems || RauchCompile(pc);
                        /* do the Starburst99 sample output */
                        lgProblems = lgProblems || StarburstCompile(pc);
                        /* do the Tlusty OSTAR2002 grid */
                        lgProblems = lgProblems || TlustyCompile(pc);
                        /* do the Werner PN central stars - for backward compatibility only */
                        lgProblems = lgProblems || WernerCompile(pc);
                        /* WMBASIC O-star grid by Pauldrach */
                        lgProblems = lgProblems || WMBASICCompile(pc);

                        if( pc.nFound == 0 )
                        {
                                fprintf( ioQQQ, "\n PROBLEM - No ascii files were found!\n" );
                                fprintf( ioQQQ, " Did you change directory to where the stellar atmosphere files are?\n" );
                                fprintf( ioQQQ, " This command will only work on files in the local directory. Sorry.\n" );
                                lgProblems = true;
                        }
                        else
                        {
                                fprintf( ioQQQ, "\n %d ascii file(s) found", pc.nFound );
                                if( pc.notProcessed > 0 )
                                        fprintf( ioQQQ, ", %d file(s) up to date", pc.notProcessed );
                                if( pc.nOK > 0 )
                                        fprintf( ioQQQ, ", %d update(s) OK", pc.nOK );
                                if( pc.nFail > 0 )
                                        fprintf( ioQQQ, ", %d update(s) failed", pc.nFail );
                                int nSkip = pc.nFound - pc.notProcessed - pc.nOK - pc.nFail;
                                if( nSkip > 0 )
                                        fprintf( ioQQQ, ", %d file(s) skipped after failure", nSkip );
                                fprintf( ioQQQ, ".\n" );
                        }
                }

                if( lgProblems )
                {
                        fprintf( ioQQQ, "\n Problems occurred during the compilation - check output.\n" );
                }
                else
                {
                        fprintf( ioQQQ, "\n The compilation was successful!\n" );
                        fprintf( ioQQQ, "\n Good Luck!!\n\n\n" );
                }

                cdEXIT( lgProblems ? ES_FAILURE : ES_SUCCESS );
        }
        else
        {
                fprintf( ioQQQ, " One of the keywords, GRAINS, RECO COEF, or STARS, must appear.\n" );
                fprintf( ioQQQ, " Sorry.\n" );
                cdEXIT(EXIT_FAILURE);
        }

        return;
}