Changeset a9b2a0a for molecuilder/src/molecule.hpp

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.hpp (modified) (4 diffs)

molecuilder/src/molecule.hpp

@@ -99 +99 @@
     char name[MAXSTRINGSIZE];         //!< arbitrary name
     int IndexNr;        //!< index of molecule in a MoleculeListClass
-    class Tesselation *TesselStruct;
 
   molecule(periodentafel *teil);
@@ -105 +104 @@
 
   // re-definition of virtual functions from PointCloud
-  Vector *GetCenter(ofstream *out);
-  TesselPoint *GetPoint();
-  TesselPoint *GetTerminalPoint();
-  void GoToNext();
-  void GoToPrevious();
-  void GoToFirst();
-  void GoToLast();
-  bool IsEmpty();
-  bool IsEnd();
+  Vector *GetCenter(ofstream *out) const ;
+  TesselPoint *GetPoint() const ;
+  TesselPoint *GetTerminalPoint() const ;
+  void GoToNext() const ;
+  void GoToPrevious() const ;
+  void GoToFirst() const ;
+  void GoToLast() const ;
+  bool IsEmpty() const ;
+  bool IsEnd() const ;
 
   // templates for allowing global manipulation of all vectors
@@ -217 +216 @@
   void Mirror(const Vector *x);
   void Align(Vector *n);
-  void Scale(double **factor);
+  void Scale(const double ** const factor);
   void DeterminePeriodicCenter(Vector &center);
   Vector * DetermineCenterOfGravity(ofstream *out);
-  Vector * DetermineCenterOfAll(ofstream *out);
+  Vector * DetermineCenterOfAll(ofstream *out) const;
   void SetNameFromFilename(const char *filename);
   void SetBoxDimension(Vector *dim);
@@ -298 +297 @@
   private:
   int last_atom;      //!< number given to last atom
-  atom *InternalPointer;  //!< internal pointer for PointCloud
+  mutable atom *InternalPointer;  //!< internal pointer for PointCloud
 };