Changeset 94d0ad for molecuilder/src/atom_trajectoryparticle.hpp

Timestamp:

Oct 27, 2009, 8:54:44 AM (16 years ago)

Author:

Frederik Heber <heber@…>

Children:

8b6ee4

Parents:

2e6aa1

Message:

Begun with ticket #38 (make const what is const).

• basically all changes to member function that now state that they do not change member attributes.
• in molecule_template.hpp all member functions are declared const, as we only need start and end from molecule and these are never changed (lots of overloaded templates removed thereby).
• Vector::Distance...() and ...DistanceSquared() are const now too

File:

• molecuilder/src/atom_trajectoryparticle.hpp (modified) (2 diffs)

molecuilder/src/atom_trajectoryparticle.hpp

@@ -44 +44 @@
   // constraint potential and dynamics stuff
   void AddKineticToTemperature(double *temperature, int step) const;
-  void EvaluateConstrainedForce(int startstep, int endstep, atom **PermutationMap, ForceMatrix *Force);
+  void EvaluateConstrainedForce(int startstep, int endstep, atom **PermutationMap, ForceMatrix *Force) const;
   void CorrectVelocity(double *ActualTemp, int Step, Vector *CoGVelocity);
 
@@ -51 +51 @@
   void CopyStepOnStep(int dest, int src);
   void VelocityVerletUpdate(int MDSteps, config *configuration, ForceMatrix *Force);
-  void SumUpKineticEnergy( int Step, double *TotalMass, Vector *TotalVelocity );
+  void SumUpKineticEnergy( int Step, double *TotalMass, Vector *TotalVelocity ) const;
 
   // thermostats