Changeset 8c6b68 for src/Atom/atom_bondedparticleinfo.hpp

Timestamp:

Apr 10, 2018, 6:43:12 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

AutomationFragmentation_failures, Candidate_v1.6.1, ChemicalSpaceEvaluator, Enhanced_StructuralOptimization_continued, Exclude_Hydrogens_annealWithBondGraph, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_contraction-expansion, Gui_displays_atomic_force_velocity, PythonUI_with_named_parameters, StoppableMakroAction, TremoloParser_IncreasedPrecision

Children:

6145577

Parents:

efd020

git-author:

Frederik Heber <frederik.heber@…> (08/03/17 10:46:48)

git-committer:

Frederik Heber <frederik.heber@…> (04/10/18 06:43:12)

Message:

atom::removeStep() extended to removing interval of steps.

• AtomInfo::removeTrajectorySteps() and BondedParticle::removeTrajectorySteps() changed and all calls adapted.

File:

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

src/Atom/atom_bondedparticleinfo.hpp

@@ -52 +52 @@
    * 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.
+   * the real functions, \sa removeTrajectorySteps(), by all necessary subclasses.
+   *
+   * \param _firststep first step in interval to be removed
+   * \param _laststep last step in interval to be removed
    */
-  virtual void removeStep(const unsigned int _step)=0;
+  virtual void removeSteps(const unsigned int _firststep, const unsigned int _laststep)=0;
 
   /** Const accessor to ListOfBonds of WorldTime::CurrentTime.
@@ -131 +134 @@
   /** Function used by this and inheriting classes to reduce the ListOfBonds
    * vector by one.
+   *
+   * \param _firststep first step in interval to be removed
+   * \param _laststep last step in interval to be removed
    */
-  void removeTrajectoryStep(const unsigned int _step);
+  void removeTrajectorySteps(const unsigned int _firststep, const unsigned int _laststep);
 
   typedef std::map<unsigned int, BondList> BondTrajectory_t;