Changeset 2027 for branches/newmole

Timestamp:

05/06/08 14:47:46 (8 months ago)

Author:

rjrw

Message:

Add optional diagnostics for rate and chemical balance controlling
species update.

Remove logically dead code.

Location:

branches/newmole/source

Files:

• mole_drive.cpp (modified) (5 diffs)
• mole_reactions.cpp (modified) (2 diffs)
• mole_species.cpp (modified) (3 diffs)

branches/newmole/source/mole_drive.cpp

@@ -29 +29 @@
 #include "co.h"
 
-/* says whether the co network is currently set to zero */
-static bool lgMoleZeroed=true;
-
 /* this is the error tolerance for reporting non-convergence */
 static const double MOLETOLER = 0.10;
@@ -38 +35 @@
 STATIC void MolecSetup (void);
 STATIC void mole_effects(void);
-
-STATIC void mole_null_results(void);
 STATIC void mole_h_rate_diagnostics(void);
 
@@ -51 +46 @@
 
         DEBUG_ENTRY( "mole_drive()" );
-
-        /* this branch we will not do the CO equilibrium, set some variables that
-         * would be calculated by the chemistry, zero others, and return */
-        mole_null_results();
 
         MolecSetup();
@@ -95 +86 @@
         /* >>chng 05 jul 15, do not init if we have never evaluated CO in this iteration
          * and we are below limit where it should be evaluated */
-        if( mole.iteration < 0 || lgMoleZeroed )
+        if( mole.iteration < 0 || true ) /* ???? */
         {
 
@@ -157 +148 @@
         }
         
-        return;
-}
-
-STATIC void mole_null_results(void)
-{
-        DEBUG_ENTRY( "mole_null_results()" );
-        /* these are heavy - heavy charge transfer rate that will still be needed
-         * for recombination of Si+, S+, and C+ */
-        long int nelem , ion, i;
-
-        /* heating due to CO photodissociation */
-        /* do we need to zero out the arrays and vars? */
-        if( !lgMoleZeroed )
-        {
-                lgMoleZeroed = true;
-                for( i=0; i<mole.num_calc; ++i )
-                {
-                        mole.list[i]->den = 0.;
-                }
-                /* heating due to CO photodissociation */
-                thermal.heating[0][9] = 0.;
-                /* CO cooling */
-                CoolHeavy.C12O16Rot = 0.;
-                CoolHeavy.dC12O16Rot = 0.;
-                CoolHeavy.C13O16Rot = 0.;
-                CoolHeavy.dC13O16Rot = 0.;
-                co.CODissHeat = 0.;
-
-                /** \todo       2       use TransitionZero here? */
-                for( i=0; i < nCORotate; i++ )
-                {
-                        C12O16Rotate[i].Lo->Pop = 0.;
-                        C13O16Rotate[i].Lo->Pop = 0.;
-                        /* population of upper level */
-                        C12O16Rotate[i].Hi->Pop = 0.;
-                        C13O16Rotate[i].Hi->Pop = 0.;
-                        /* population of lower level with correction for stimulated emission */
-                        C12O16Rotate[i].Emis->PopOpc = 0.;
-                        C13O16Rotate[i].Emis->PopOpc = 0.;
-                        /* following two heat exchange excitation, deexcitation */
-                        C12O16Rotate[i].Coll.cool = 0.;
-                        C12O16Rotate[i].Coll.heat = 0.;
-                        C13O16Rotate[i].Coll.cool = 0.;
-                        C13O16Rotate[i].Coll.heat = 0.;
-                        /* intensity of line */
-                        C12O16Rotate[i].Emis->xIntensity = 0.;
-                        C13O16Rotate[i].Emis->xIntensity = 0.;
-                        /* number of photons emitted in line */
-                        C12O16Rotate[i].Emis->phots = 0.;
-                        C13O16Rotate[i].Emis->phots = 0.;
-                }
-                for( nelem=ipLITHIUM; nelem<LIMELM; ++nelem )
-                {
-                        for( ion=0; ion<nelem+2; ++ion )
-                        {
-                                mole.source[nelem][ion] = 0.;
-                                mole.sink[nelem][ion] = 0.;
-                        }
-                }
-        }
-        
-        if( trace.nTrConvg>=4 )
-        {
-                /* trace ionization  */
-                fprintf( ioQQQ, 
-                                                 "    mole_drive4 do not evaluate CO chemistry.\n");
-        }
-
         return;
 }

branches/newmole/source/mole_reactions.cpp

@@ -1893 +1893 @@
 {
         struct mole_reaction_s *rate;
+        enum { DEBUG_MOLE = false };
 
         DEBUG_ENTRY("mole_update_rks()");
@@ -1906 +1907 @@
         {
                 rate = p->second;
+                realnum oldrk = rate->rk;
                 ASSERT(rate->fun != NULL);
                 rate->rk = rate->a*rate->fun(rate);
+                if (DEBUG_MOLE)
+                {
+                        if (fabs(rate->rk-oldrk) > 0.1*rate->rk)
+                                fprintf(ioQQQ,"%s: %15.8g => %15.8g\n",
+                                                                rate->label,oldrk,rate->rk);
+                }
         }       
 }

branches/newmole/source/mole_species.cpp

@@ -616 +616 @@
         DEBUG_ENTRY("mole_update_species_cache()");
 
+        enum { DEBUG_MOLE = false };
+
         mole.eden_f = (realnum)dense.eden;  /* Need floating point version for compatibility with all other values */
 
@@ -621 +623 @@
         {
                 if(mole.list[i]->location != NULL) 
+                {
                         mole.list[i]->den = *(mole.list[i]->location);
+                        if (DEBUG_MOLE)
+                                fprintf(ioQQQ,"%s: %f\n",mole.list[i]->label,mole.list[i]->den);
+                }
         }
  
@@ -665 +671 @@
                 mole.grain_saturation = 1.0;
         }
+        if (DEBUG_MOLE)
+                fprintf(ioQQQ,"Dust: %f %f %f\n",
+                                                mole.grain_area,mole.grain_density,mole.grain_saturation);
 
 }