Changeset a9b2a0a for molecuilder/src/moleculelist.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/moleculelist.cpp (modified) (3 diffs)

molecuilder/src/moleculelist.cpp

@@ -306 +306 @@
 bool MoleculeListClass::EmbedMerge(molecule *mol, molecule *srcmol)
 {
+  LinkedCell *LCList = NULL;
+  Tesselation *TesselStruct = NULL;
   if ((srcmol == NULL) || (mol == NULL)) {
     cout << Verbose(1) << "ERROR: Either fixed or variable molecule is given as NULL." << endl;
@@ -312 +314 @@
 
   // calculate envelope for *mol
-  LinkedCell *LCList = new LinkedCell(mol, 8.);
-  FindNonConvexBorder((ofstream *)&cout, mol, LCList, 4., NULL);
-  if (mol->TesselStruct == NULL) {
+  LCList = new LinkedCell(mol, 8.);
+  FindNonConvexBorder((ofstream *)&cout, mol, TesselStruct, (const LinkedCell *&)LCList, 4., NULL);
+  if (TesselStruct == NULL) {
     cout << Verbose(1) << "ERROR: Could not tesselate the fixed molecule." << endl;
     return false;
   }
   delete(LCList);
-  LCList = new LinkedCell(mol->TesselStruct, 8.);  // re-create with boundary points only!
+  LCList = new LinkedCell(TesselStruct, 8.);  // re-create with boundary points only!
 
   // prepare index list for bonds
@@ -333 +335 @@
     Walker = Walker->next;
     cout << Verbose(2) << "INFO: Current Walker is " << *Walker << "." << endl;
-    if (!mol->TesselStruct->IsInnerPoint((ofstream *)&cout, Walker->x, LCList)) {
+    if (!TesselStruct->IsInnerPoint((ofstream *)&cout, Walker->x, LCList)) {
       CopyAtoms[Walker->nr] = new atom(Walker);
       mol->AddAtom(CopyAtoms[Walker->nr]);