Changeset 4919f0 for src/Atom/atom_atominfo.cpp

Timestamp:

Aug 3, 2017, 10:46:48 AM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_with_BondGraph_continued

Children:

cee565

Parents:

fcc860

Message:

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

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

File:

• src/Atom/atom_atominfo.cpp (modified) (1 diff)

src/Atom/atom_atominfo.cpp

@@ -101 +101 @@
 }
 
-void AtomInfo::removeTrajectoryStep(const unsigned int _step)
+void AtomInfo::eraseInTrajctory(
+    VectorTrajectory_t &_trajectory,
+    const unsigned int _firststep, const unsigned int _laststep)
+{
+  const VectorTrajectory_t::iterator firstiter = _trajectory.lower_bound(_firststep);
+  const VectorTrajectory_t::iterator lastiter = _trajectory.upper_bound(_laststep);
+  _trajectory.erase(firstiter, lastiter);
+}
+
+void AtomInfo::removeTrajectorySteps(const unsigned int _firststep, const unsigned int _laststep)
 {
   NOTIFY(TrajectoryChanged);
-  AtomicPosition.erase(_step);
-  AtomicVelocity.erase(_step);
-  AtomicForce.erase(_step);
-  LOG(5,"AtomInfo::removeTrajectoryStep() called, size is ("
+  eraseInTrajctory(AtomicPosition, _firststep, _laststep);
+  eraseInTrajctory(AtomicVelocity, _firststep, _laststep);
+  eraseInTrajctory(AtomicForce, _firststep, _laststep);
+  LOG(5,"AtomInfo::removeTrajectorySteps() called, size is ("
       << AtomicPosition.size() << ","
       << AtomicVelocity.size() << ","