Changeset 8c6b68 for src/Atom/atom.cpp

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.cpp (modified) (1 diff)

src/Atom/atom.cpp ¶

@@ -108 +108 @@
 }
 
-void atom::removeStep(const unsigned int _step)
-{
-  LOG(4,"atom::removeStep() called.");
+void atom::removeSteps(const unsigned int _firststep, const unsigned int _laststep)
+{
+  LOG(4,"atom::removeSteps() called.");
   // append to position, velocity and force vector
-  AtomInfo::removeTrajectoryStep(_step);
+  AtomInfo::removeTrajectorySteps(_firststep, _laststep);
   // append to ListOfBonds vector
-  BondedParticleInfo::removeTrajectoryStep(_step);
+  BondedParticleInfo::removeTrajectorySteps(_firststep, _laststep);
 }