Changeset 1654 for branches/newmole/source

Timestamp:

12/10/07 08:08:24 (12 months ago)

Author:

rjrw

Message:

Implement "no heavy molecules" command and tidying use of lgNoMole

Location:

branches/newmole/source

Files:

• ion_solver.cpp (modified) (1 diff)
• mole.h (modified) (1 diff)
• mole_co_etc.cpp (modified) (1 diff)
• newmole_integration.txt (added)
• parse_dont.cpp (modified) (1 diff)
• zero.cpp (modified) (1 diff)

branches/newmole/source/ion_solver.cpp

@@ -759 +759 @@
         renormnew = 1.;
         /* >>chng 06 mar 17, comment out test on old full depth - keep old solution if overrun scale */
-        if(iteration > dynamics.n_initial_relax+1 && dynamics.lgAdvection /*&& radius.depth < dynamics.oldFullDepth */ && 
-                 co.lgNoMole)
+        if(iteration > dynamics.n_initial_relax+1 && dynamics.lgAdvection /*&& radius.depth < dynamics.oldFullDepth */)
         {
                 /* The normalization out of the matrix solution is correct and

branches/newmole/source/mole.h

@@ -94 +94 @@
         bool lgCOCoolCaped;
 
-        /** flag to turn off CO molecules, set with no molecules command */
+        /** flag to turn off all molecules, set with no molecules command */
         bool lgNoMole;
+
+        /** flag to turn off heavy molecules, set with no heavy molecules command */
+        bool lgNoHeavyMole;
 
         /** C12/C13 isotope ratio, sets the ratio of C12O16 to C13O16 and 

branches/newmole/source/mole_co_etc.cpp

@@ -469 +469 @@
         }
         
-        if ((mol->n_nuclei > 1 || mol->nElec < 0) && co.lgNoMole) 
+        if (mol->n_nuclei > 1 && co.lgNoMole) 
         {
                 fprintf(ioQQQ,"No species %s as molecules off\n",label);
                 free(mol);
                 return NULL;
+        }
+
+        if (mol->n_nuclei > 1 && co.lgNoHeavyMole)
+        {
+                for (i=ipLITHIUM;i<LIMELM;i++)
+                {
+                        if (mol->nElem[i] != 0) 
+                        {
+                                fprintf(ioQQQ,"No species %s as heavy molecules off\n",label);
+                                free(mol);
+                                return NULL;
+                        }
+                }
         }
 

branches/newmole/source/parse_dont.cpp

@@ -293 +293 @@
         else if( nMatch("MOLE",chCard) )
         {
-                /* turn off molecular network */
-                co.lgNoMole = true;
+                /* disable molecule formation, first option is to turn off only high Z part */
+                if( nMatch("HEAV",chCard) )
+                {
+                        /* turn off only Z>=2 molecules */
+                        co.lgNoHeavyMole = true;
+                }
+                else
+                {
+                        co.lgNoMole = true;
+                }
                 phycon.lgPhysOK = false;
         }

branches/newmole/source/zero.cpp

@@ -275 +275 @@
         co.lgNoMole = false;
 
+        co.lgNoHeavyMole = false;
+
         NumDeriv.lgNumDeriv = false;
         /* nsum is line pointer within large stack of line intensities */