cloudy.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 */
/*cloudy the main routine, this IS Cloudy, return 0 normal exit, 1 error exit,
 * called by maincl when used as standalone program */
/*BadStart announce that things are so bad the calculation cannot even start */
#include "cddefines.h"
#include "save.h"
#include "noexec.h"
#include "lines.h"
#include "abund.h"
#include "continuum.h"
#include "warnings.h"
#include "atmdat.h"
#include "prt.h"
#include "conv.h"
#include "parse.h"
#include "dynamics.h"
#include "init.h"
#include "opacity.h"
#include "state.h"
#include "rt.h"
#include "monitor_results.h"
#include "zones.h"
#include "iterations.h"
#include "plot.h"
#include "radius.h"
#include "grid.h"
#include "cloudy.h"
#include "ionbal.h"
#include "called.h"
#include "dense.h"

/*BadStart announce that things are so bad the calculation cannot even start */
STATIC void BadStart();

/* returns 1 if disaster strikes, 0 if everything appears ok */
bool cloudy()
{
        DEBUG_ENTRY( "cloudy()" );

        bool lgOK;

        /* 
         * this is the main routine to drive the modules that compute a model
         * when cloudy is used as a stand-alone program 
         * the main program (maincl) calls cdInit then cdDrive
         * this sub is called by cdDrive which returns upon exiting
         *
         * this routine uses the following variables:
         *
         * nzone 
         * this is the zone number, and is incremented here
         * is zero during search phase, 1 for first zone at illuminated face
         * logical function iter_end_check returns a true condition if NZONE reaches
         * NEND(ITER), the limit to the number of zones in this iteration
         * nzone is totally controlled in this subroutine
         *
         * iteration 
         * this is the iteration number, it is 1 for the first iteration
         * and is incremented in this subroutine at the end of each iteration
         *
         * iterations.itermx
         * this is the limit to the number of iterations, and is entered
         * by the user
         * This routine returns when iteration > iterations.itermx
         */

        /* nzone is zero while initial search for conditions takes place 
         * and is incremented to 1 for start of first zone */
        nzone = 0;
        fnzone = 0.; 

        /* iteration is iteration number, calculation is complete when iteration > iterations.itermx */
        iteration = 1;

        /* this initializes variables at the start of each simulation
         * in a grid, before the parser is called - this must set any values
         * that may be changed by the command parser */
        InitDefaultsPreparse();

        /* Read the isotope data and allocate the required space */
        LoadIsotopes();

        /* scan in and parse input data */
        ParseCommands();

        /* option to parse main input script again after grid finished -> no execution needed */
        if( grid.lgParseOnly )
                return false;

        /* fix abundances of elements, in abundances.cpp */
        AbundancesSet();

        ASSERT(lgElemsConserved());

        /* one time creation of some variables */
        InitCoreloadPostparse();

        /* initialize vars that can only be done after parsing the commands 
         * sets up CO network since this depends on which elements are on
         * and whether chemistry is enabled */
        InitSimPostparse();

        /* ContCreateMesh calls fill to set up continuum energy mesh if first call, 
         * otherwise reset to original mesh.
         * This is AFTER ParseCommands so that
         * path and mesh size can be set with commands before mesh is set */
        ContCreateMesh();

        /* create several data sets by allocating memory and reading in data files, 
         * but only if this is first call */
        atmdat_readin();

        /* fix pointers to ionization edges and frequency array
         * calls iso_create
         * this routine only returns if this is a later call of code */
        ContCreatePointers();

        prt.matrix.resolveLevels();

        /* Badnell_rec_init This code is written by Terry Yun, 2005 *
         * It reads dielectronic recombination rate coefficient fits into 3D arrays */
        Badnell_rec_init();

        ASSERT(lgElemsConserved());

        /* set continuum normalization, continuum itself, and ionization stage limits */
        ContSetIntensity();

        ASSERT(lgElemsConserved());

        SetPrintLineCol();

        /* print header */
        PrtHeader();

        /* this is an option to stop after initial setup */
        if( noexec.lgNoExec )
                return false;

        /* guess some outward optical depths, set inward optical depths, 
         * also calls RT_line_all so escape probabilities ok before printout of trace */
        RT_tau_init();

        /* generate initial set of opacities, but only if this is the first call 
         * in this core load
         * grains only exist AFTER this routine exits */
        OpacityCreateAll();

        ASSERT(lgElemsConserved());

        /* this checks that various parts of the code still work properly */
        SanityCheck("begin");

        /* option to recover state from previous calculation */
        if( state.lgGet_state )
                state_get_put( "get" );

        ASSERT(lgElemsConserved());

        /* find the initial temperature, punt if initial conditions outside range of code,
         * abort condition set by flag lgAbort */
        if( ConvInitSolution() )
        {
                // create line stacks for possible printout before bailing out
                LineStackCreate();
                BadStart();
                return true;
        }
        // create line stacks ...
        LineStackCreate();

        /* set thickness of first zone */
        radius_first();

        /* find thickness of next zone */
        if( radius_next() )
        {
                BadStart();
                return true;
        }

        /* set up some zone variables, correct continuum for sphericity, 
         * after return, radius is equal to the inner radius, not outer radius
         * of this zone */
        ZoneStart("init");

        /* print all abundances, gas phase and grains, in abundances.c */
        /* >>chng 06 mar 05, move AbundancesPrt() after ZoneStart("init") so that
         * GrnVryDpth() gives correct values for the inner face of the cloud, PvH */
        AbundancesPrt();

        /* this is an option to stop after printing header only */
        if( prt.lgOnlyHead )
                return false;

        plot("FIRST");

        /* outer loop is over number of iterations
         * >>chng 05 mar 12, chng from test on true to not aborting */
        while( !lgAbort )
        {
                IterStart();
                nzone = 0;
                fnzone = 0.;

                /* loop over zones across cloud for this iteration, 
                 * iter_end_check checks whether model is complete and this iteration is done
                 * returns true is current iteration is complete 
                 * calls PrtZone to print zone results */
                while( !iter_end_check() )
                {
                        /* the zone number, 0 during search phase, first zone is 1 */
                        ++nzone;
                        /* this is the zone number plus the number of calls to bottom solvers
                         * from top pressure solver, divided by 100 */
                        fnzone = (double)nzone;

                        /* use changes in opacity, temperature, ionization, to fix new dr for next zone */
                        /* >>chng 03 oct 29, move radius_next up to here from below, so that
                         * precise correct zone thickness will be used in current zone, so that
                         * column density and thickness will be exact 
                         * abort condition is possible */
                        if( radius_next() )
                                break;

                        /* following sets zone thickness, drad, to drnext */
                        /* set variable dealing with new radius, in zones.c */
                        ZoneStart("incr");

                        /* converge the pressure-temperature-ionization solution for this zone 
                         * NB ignoring return value - should be ok (return 1 for abort) 
                         * we can't break here in case of abort since there is still housekeeping
                         * that must be done in following routines */
                        ConvPresTempEdenIoniz();

                        /* generate diffuse emission from this zone, add to outward & reflected beams */
                        RT_diffuse();

                        /* do work associated with incrementing this radius, 
                         * total attenuation and dilution of radiation fields takes place here,
                         * reflected continuum incremented here
                         * various mean and extremes of solution are also remembered here */
                        radius_increment();

                        /* attenuation of diffuse and beamed continua */
                        RT_continuum();

                        /* increment optical depths 
                         * final evaluation of line rates and cooling */
                        RT_tau_inc();

                        /* fill in emission line array, adds outward lines */
                        /* >>chng 99 dec 29, moved to here from below RT_tau_inc, 
                         * lines adds lines to outward beam,
                         * and these are attenuated in radius_increment */
                        lines();

                        /* possibly save out some results from this zone */
                        SaveDo("MIDL");

                        /* do some things to finish out this zone */
                        ZoneEnd();

                        // default false due to slow time - set true with set check energy every zone
                        // to allow per zone check of energy conservation, relatively slow
                        // when chianti is fully enabled
                        if( continuum.lgCheckEnergyEveryZone )
                        {
                                /* Ensure that energy has been conserved.  Complain and punt if not */
                                if( !lgConserveEnergy() )
                                {
                                        fprintf( ioQQQ, " PROBLEM DISASTER Energy was not conserved at zone %li\n", nzone );
                                        ShowMe();
                                        lgAbort = true;
                                }
                        }
                }
                /* end loop over zones */

                /* close out this iteration, in iter_startend.c */
                IterEnd();

                /* print out some comments, generate warning and cautions*/
                PrtComment();

                /* save stuff only needed on completion of this iteration */
                SaveDo("LAST" );

                /* second call to plot routine, to complete plots for this iteration */
                plot("SECND");

                /* print out the results */
                PrtFinal();

                /*ConvIterCheck check whether model has converged or more iterations
                 * are needed - implements the iter to convergence command 
                 * acts by setting iterations.itermx to iteration if converged*/
                ConvIterCheck();

                /* option to save state */
                if( state.lgPut_state )
                        state_get_put( "put" );

                /* >>chng 06 mar 03 move block to here, had been after PrtFinal,
                 * so that save state will save reset optical depths */
                /* this is the normal exit, occurs if we reached limit to number of iterations,
                 * or if code has set busted */
                /* >>chng 06 mar 18, add flag for time dependent simulation completed */
                if( iteration > iterations.itermx || lgAbort || dynamics.lgStatic_completed )
                        break;

                /* reset limiting and initial optical depth variables */
                RT_tau_reset();

                /* increment iteration counter */
                ++iteration;

                /* reinitialize some variables to initial conditions at previous first zone
                 * routine in startenditer.c */
                IterRestart();

                /* reset zone number to 0 - done here since this is only routine that sets nzone */
                nzone = 0;
                fnzone = 0.;

                ZoneStart("init");

                /* find new initial temperature, punt if initial conditions outside range of code,
                 * if ConvInitSolution() fails, lgAbort will always be true, so we check that */
                if( ConvInitSolution() )
                        break;
        }

        CloseSaveFiles( false );

        /* this checks that various parts of the code worked properly */
        SanityCheck("final");

        if( called.lgTalk )
        {
                fprintf(ioQQQ,"---------------Convergence statistics---------------\n"); 
                fprintf(ioQQQ,"%10.3g mean iterations/state convergence\n",((double)conv.getCounter("CONV_BASE_LOOPS"))/
                        (MAX2((double)conv.getCounter("CONV_BASE_CALLS"),1.0)));
                fprintf(ioQQQ,"%10.3g mean cx acceleration loops/iteration\n",((double)conv.getCounter("CONV_BASE_ACCELS"))/
                        (MAX2((double)conv.getCounter("CONV_BASE_LOOPS"),1.0)));
                fprintf(ioQQQ,"%10.3g mean iso convergence loops/ion solve\n",((double)conv.getCounter("ISO_LOOPS"))/
                        (MAX2((double)conv.getCounter("ION_SOLVES"),1.0)));
                fprintf(ioQQQ,"%10.3g mean steps/chemistry solve\n",((double)conv.getCounter("MOLE_SOLVE_STEPS"))/
                        (MAX2((double)conv.getCounter("MOLE_SOLVE"),1.0)));
                fprintf(ioQQQ,"%10.3g mean step length searches/chemistry step\n",((double)conv.getCounter("NEWTON_LOOP"))/
                        (MAX2((double)conv.getCounter("NEWTON"),1.0)));
                fprintf(ioQQQ,"----------------------------------------------------\n\n");
        }
        
        /* check whether any asserts were present and failed.  
         * return is true if ok, false if not.  routine also checks
         * number of warnings and returns false if not ok */
        lgOK = lgCheckMonitors(ioQQQ);

        if( lgOK && !warnings.lgWarngs && !lgAbort )
        {
                /* no failed asserts or warnings */
                return false;
        }
        else
        {
                /* there were failed asserts or warnings */
                return true;
        }
}

/*BadStart announce that things are so bad the calculation cannot even start */
STATIC void BadStart()
{
        char chLine[INPUT_LINE_LENGTH];

        DEBUG_ENTRY( "BadStart()" );

        /* initialize the line saver */
        warnings.zero();
        sprintf( warnings.chRgcln[0], "   Calculation stopped because initial conditions out of bounds." );
        sprintf( chLine, " W-Calculation could not begin." );
        warnin(chLine);

        if( grid.lgGrid )
        {
                /* possibly save out some results from this zone when doing grid
                 * since grid save files expect something at this grid point */
                SaveDo("MIDL");
                SaveDo("LAST" );
        }
        return;
}