Changeset f97bcc for src/World.cpp

Timestamp:

May 8, 2017, 2:00:10 PM (8 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

ForceAnnealing_goodresults, ForceAnnealing_tocheck

Children:

05a2c5

Parents:

a2a8de

git-author:

Frederik Heber <heber@…> (03/23/17 03:36:28)

git-committer:

Frederik Heber <frederik.heber@…> (05/08/17 14:00:10)

Message:

FIX: World::setTime() now correctly copies the current state to the next time step.

File:

• src/World.cpp (modified) (3 diffs)

src/World.cpp

@@ -234 +234 @@
 }
 
-void copyBondgraph(const unsigned int _srcstep, const unsigned int _deststep)
+static void copyBondgraph(const unsigned int _srcstep, const unsigned int _deststep)
 {
   // gather all bonds from _srcstep
@@ -259 +259 @@
 }
 
+static void copyAtoms(const unsigned int _srcstep, const unsigned int _deststep)
+{
+  for (World::AtomIterator iter = World::getInstance().getAtomIter();
+      iter != World::getInstance().atomEnd(); ++iter) {
+    atom * const Walker = *iter;
+    Walker->UpdateStep(_deststep);
+    Walker->setPositionAtStep(_deststep, Walker->getPositionAtStep(_srcstep));
+    Walker->setAtomicVelocityAtStep(_deststep, Walker->getAtomicVelocityAtStep(_srcstep));
+    Walker->setAtomicForceAtStep(_deststep, Walker->getAtomicForceAtStep(_srcstep));
+  }
+}
+
 void World::setTime(const unsigned int _step)
 {
@@ -264 +276 @@
     const unsigned int oldstep = WorldTime::getTime();
 
+    copyAtoms(oldstep, _step);
     // 1. copy bond graph (such not each addBond causes GUI update)
     if (!areBondsPresent(_step)) {