Changeset 2042 for branches/newmole/source/mole_species.cpp

Timestamp:

05/11/08 12:53:42 (8 months ago)

Author:

rjrw

Message:

Change molecule structure to class

Make molecular column table easier to navigate (after Nick Abel's
suggestion).

Files:

• branches/newmole/source/mole_species.cpp (modified) (9 diffs)

branches/newmole/source/mole_species.cpp

@@ -50 +50 @@
 #include <functional>
 
-class MoleCmp : public binary_function<const struct molecule *,const struct molecule *,bool>
+class MoleCmp : public binary_function<const molecule *,const molecule *,bool>
 {
 public:
-        bool operator()(const struct molecule *mol1, const struct molecule *mol2) const
+        bool operator()(const molecule *mol1, const molecule *mol2) const
         {
                 for (long nelem=LIMELM-1; nelem >= ipHYDROGEN; nelem--) 
                 {
                         if (mol1->nElem[nelem] > mol2->nElem[nelem])
+                        {
                                 return false;
+                        }
                         else if (mol1->nElem[nelem] < mol2->nElem[nelem])
+                        {
                                 return true;            
+                        }
                 } 
                 return strcmp(mol1->label,mol2->label) < 0;
@@ -74 +78 @@
         long int i,
                 nelem;
-        struct molecule *sp;
+        molecule *sp;
         static realnum one=1.0;
         static bool lgmole_Init_called=false;
@@ -411 +415 @@
 #include <string.h>
 #include <ctype.h>
-STATIC struct molecule *newspecies(
+STATIC molecule *newspecies(
         const char label[7], 
         enum spectype type, 
@@ -421 +425 @@
         char mylab[7], thisel[3], *s;
         long int i, n, nelem, nel;
-        struct molecule *mol;
+        molecule *mol;
         struct chem_element_s *el;
 
         DEBUG_ENTRY("newspecies()");
 
-        mol = (struct molecule *) MALLOC(sizeof(struct molecule));
+        mol = (molecule *) MALLOC(sizeof(molecule));
 
         for( nelem=ipHYDROGEN; nelem<LIMELM; ++nelem )
@@ -568 +572 @@
         return mol;
 }
-STATIC bool isactive(struct molecule *p)
+STATIC bool isactive(molecule *p)
 {
         DEBUG_ENTRY("isactive()");
         return p->state == MOLE_ACTIVE;
 }
-STATIC bool ispassive(struct molecule *p)
+STATIC bool ispassive(molecule *p)
 {
 
@@ -580 +584 @@
 }
 
-struct molecule *findspecies(const char buf[])
+molecule *findspecies(const char buf[])
 {
         molecule_i p;
@@ -745 +749 @@
 {
         long int nelem;
-        struct molecule *mol1=*(struct molecule **)m1, *mol2=*(struct molecule **)m2;
+        molecule *mol1=*(molecule **)m1, *mol2=*(molecule **)m2;
 
         for (nelem=LIMELM-1; nelem >= ipHYDROGEN; nelem--) 
@@ -844 +848 @@
                 return;
         }
-        groupspecies = (struct molecule **) MALLOC(mole.num_calc*sizeof(struct molecule *));
+        groupspecies = (molecule **) MALLOC(mole.num_calc*sizeof(molecule *));
         for (i=0,j=0;i<mole.num_calc;i++) 
         {
@@ -862 +866 @@
         }
         mole.num_compacted = j;
-        groupspecies = (struct molecule **) REALLOC((void *)groupspecies,
-                mole.num_calc*sizeof(struct molecule *));
+        groupspecies = (molecule **) REALLOC((void *)groupspecies,
+                mole.num_calc*sizeof(molecule *));
 
         for (i=0;i<mole.num_calc;i++)