Changeset 8c6b68 for src/Actions

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.

Location:

src/Actions

Files:

• MoleculeAction/VerletIntegrationAction.cpp (modified) (1 diff)
• UndoRedoHelpers.cpp (modified) (1 diff)
• UndoRedoHelpers.hpp (modified) (1 diff)

src/Actions/MoleculeAction/VerletIntegrationAction.cpp

@@ -134 +134 @@
 
   // remove current step for all modified atoms
-  removeLastStep(getIdsFromAtomicInfo(state->UndoInfo), CurrentStep+1);
+  removeSteps(getIdsFromAtomicInfo(state->UndoInfo), CurrentStep+1, CurrentStep+1);
 
   // and set back the old step (forces have been changed)

src/Actions/UndoRedoHelpers.cpp

@@ -219 +219 @@
 }
 
-void MoleCuilder::removeLastStep(const std::vector<atomId_t> &_atoms, const unsigned int _step)
-{
-  for (size_t i=0; i<_atoms.size(); ++i) {
-    atom * const _atom = World::getInstance().getAtom(AtomById(_atoms[i]));
-    _atom->removeStep(_step);
+void MoleCuilder::removeSteps(
+    const std::vector<atomId_t> &movedatoms,
+    const unsigned int _firststep,
+    const unsigned int _laststep)
+{
+  for (std::vector<atomId_t>::const_iterator iter = movedatoms.begin();
+      iter != movedatoms.end(); ++iter) {
+    atom * const _atom = World::getInstance().getAtom(AtomById(*iter));
+    _atom->removeSteps(_firststep, _laststep);
   }
 }

src/Actions/UndoRedoHelpers.hpp

@@ -111 +111 @@
   void RemoveMoleculesWithAtomsByIds(const std::vector<moleculeId_t> &ids);
 
-  /** Removes the last time step for all \a movedatoms
+  /** Removes the time steps in given interval for all \a movedatoms.
    *
-   * @param movedatoms atoms whose last step in time to remove
-   * @param _step which trajectory to remove
+   * @param movedatoms atoms whose steps in [\a _firststep, \a _laststep] in time to remove
+   * @param _firststep first step in interval to be removed
+   * @param _laststep last step in interval to be removed
    */
-  void removeLastStep(const std::vector<atomId_t> &movedatoms, const unsigned int _step);
+  void removeSteps(
+      const std::vector<atomId_t> &movedatoms,
+      const unsigned int _firststep,
+      const unsigned int _laststep);
 
   /** Adds another time step to all \a movedatoms.