Changeset a9b2a0a for molecuilder/src/molecule_graph.cpp

Timestamp:

Oct 27, 2009, 4:11:22 PM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

069034

Parents:

55a71b

Message:

Huge refactoring to make const what is const (ticket #38), continued.

• too many changes because of too many cross-references to be able to list them up here.
• NOTE that "make check" runs fine and did catch several error.
• note that we had to use const_iterator several times when the map, ... was declared const.
• at times we changed an allocated LinkedCell LCList(...) into

const LinkedCell *LCList;
LCList = new LinkedCell(...);

• also mutable (see ticket #5) was used, e.g. for molecule::InternalPointer (PointCloud changes are allowed, because they are just accounting).

Signed-off-by: Frederik Heber <heber@…>

File:

• molecuilder/src/molecule_graph.cpp (modified) (3 diffs)

molecuilder/src/molecule_graph.cpp

@@ -102 +102 @@
   double distance, MinDistance, MaxDistance;
   LinkedCell *LC = NULL;
-  LinkedNodes *List = NULL;
-  LinkedNodes *OtherList = NULL;
 
   BondDistance = bonddistance; // * ((IsAngstroem) ? 1. : 1./AtomicLengthToAngstroem);
@@ -131 +129 @@
       for (LC->n[1] = 0; LC->n[1] < LC->N[1]; LC->n[1]++)
         for (LC->n[2] = 0; LC->n[2] < LC->N[2]; LC->n[2]++) {
-          List = LC->GetCurrentCell();
+          const LinkedNodes *List = LC->GetCurrentCell();
           //*out << Verbose(2) << "Current cell is " << LC->n[0] << ", " << LC->n[1] << ", " << LC->n[2] << " with No. " << LC->index << " containing " << List->size() << " points." << endl;
           if (List != NULL) {
-            for (LinkedNodes::iterator Runner = List->begin(); Runner != List->end(); Runner++) {
+            for (LinkedNodes::const_iterator Runner = List->begin(); Runner != List->end(); Runner++) {
               Walker = AtomMap[(*Runner)->nr];
               //*out << Verbose(0) << "Current Atom is " << *Walker << "." << endl;
@@ -141 +139 @@
                 for (n[1] = -1; n[1] <= 1; n[1]++)
                   for (n[2] = -1; n[2] <= 1; n[2]++) {
-                    OtherList = LC->GetRelativeToCurrentCell(n);
+                    const LinkedNodes *OtherList = LC->GetRelativeToCurrentCell(n);
                     //*out << Verbose(2) << "Current relative cell is " << LC->n[0] << ", " << LC->n[1] << ", " << LC->n[2] << " with No. " << LC->index << " containing " << List->size() << " points." << endl;
                     if (OtherList != NULL) {
-                      for (LinkedNodes::iterator OtherRunner = OtherList->begin(); OtherRunner != OtherList->end(); OtherRunner++) {
+                      for (LinkedNodes::const_iterator OtherRunner = OtherList->begin(); OtherRunner != OtherList->end(); OtherRunner++) {
                         if ((*OtherRunner)->nr > Walker->nr) {
                           OtherWalker = AtomMap[(*OtherRunner)->nr];