Changes in src/Atom/atom_bondedparticleinfo.hpp [7e51e1:8cc22f]

File:

• src/Atom/atom_bondedparticleinfo.hpp (modified) (2 diffs)

src/Atom/atom_bondedparticleinfo.hpp

@@ -49 +49 @@
    * real functions, \sa AppendTrajectoryStep(), by all necessary subclasses.
    */
-  virtual void UpdateSteps()=0;
+  virtual void UpdateStep(const unsigned int _step)=0;
+
+  /** Pops the last step in all trajectory vectors.
+   *
+   * This allows to decrease all trajectories contained in different classes
+   * by one consistently. This is implemented by the topmost class which calls
+   * the real functions, \sa removeTrajectoryStep(), by all necessary subclasses.
+   */
+  virtual void removeStep(const unsigned int _step)=0;
 
   /** Const accessor to ListOfBonds of WorldTime::CurrentTime.
@@ -87 +95 @@
    * vector.
    */
-  void AppendTrajectoryStep();
+  void AppendTrajectoryStep(const unsigned int _step);
 
   /** Function used by this and inheriting classes to reduce the ListOfBonds
    * vector by one.
    */
-  void removeTrajectoryStep();
+  void removeTrajectoryStep(const unsigned int _step);
 
-  std::vector<BondList> ListOfBonds; //!< list of all bonds
+  typedef std::map<unsigned int, BondList> BondTrajectory_t;
+  BondTrajectory_t ListOfBonds; //!< list of all bonds
   static BondList emptyList;  //!< empty list to return when step is not present
 };