Changeset 2420 for branches/newmole

Timestamp:

10/24/08 12:27:44 (3 months ago)

Author:

rjrw

Message:

ExtractMethod? on calculation of element densities in grouped
representatation, to make it easier to check for conservation errors.

Files:

• branches/newmole/source/mole_solve.cpp (modified) (4 diffs)

branches/newmole/source/mole_solve.cpp

@@ -42 +42 @@
 STATIC void mole_h_fixup(void);
 
+STATIC void grouped_elems(const double bvec[], double mole_elems[]);
+
 #define SMALLABUND 1e-24
 
@@ -478 +480 @@
                         double molnow[LIMELM];
 
+                        grouped_elems(&b2vec[0], molnow);
                         for ( nelem=ipHYDROGEN; nelem<LIMELM; nelem++)
                         {
@@ -710 +713 @@
 }
 
+STATIC void grouped_elems(const double bvec[], double mole_elems[])
+{
+        for (long nelem=ipHYDROGEN; nelem<LIMELM; nelem++)
+        {
+                mole_elems[nelem] = 0.;
+        }
+        for( long i=0; i < mole.num_compacted; i++ )
+        {
+                for ( long nelem=ipHYDROGEN; nelem<LIMELM; nelem++)
+                {
+                        mole_elems[nelem] += bvec[i]*groupspecies[i]->nElem[nelem];
+                }
+        }
+}
+
 void GroupMap::setup(double *b0vec)
 {
@@ -777 +795 @@
         }       
 
-        for ( nelem=ipHYDROGEN; nelem<LIMELM; nelem++)
-        {
-                molnum[nelem] = 0.;
-        }
         for( i=0; i < mole.num_compacted; i++ )
         {
                 b0vec[i] = calcv[groupspecies[i]->index];
-                for ( nelem=ipHYDROGEN; nelem<LIMELM; nelem++)
-                {
-                        molnum[nelem] += b0vec[i]*groupspecies[i]->nElem[nelem];
-                }
-        }
+        }
+        grouped_elems(&b0vec[0],molnum);
 }