Changes in src/Atom/atom_bondedparticleinfo.cpp [8cc22f:7e51e1]

File:

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

src/Atom/atom_bondedparticleinfo.cpp

@@ -57 +57 @@
 {}
 
-void BondedParticleInfo::AppendTrajectoryStep(const unsigned int _step)
+void BondedParticleInfo::AppendTrajectoryStep()
 {
-  ListOfBonds.insert( std::make_pair(_step, emptyList) );
+  ListOfBonds.push_back(BondList());
   LOG(5,"BondedParticleInfo::AppendTrajectoryStep() called, size is " << ListOfBonds.size());
 }
 
-void BondedParticleInfo::removeTrajectoryStep(const unsigned int _step)
+void BondedParticleInfo::removeTrajectoryStep()
 {
-  ListOfBonds.erase(_step);
+  ListOfBonds.pop_back();
   LOG(5,"BondedParticleInfo::removeTrajectoryStep() called, size is " << ListOfBonds.size());
 }
@@ -71 +71 @@
 const BondList& BondedParticleInfo::getListOfBonds() const
 {
-  return getListOfBondsAtStep(WorldTime::getTime());
+  if(WorldTime::getTime() < ListOfBonds.size())
+    return ListOfBonds[WorldTime::getTime()];
+  else
+    return emptyList;
 }
+
+//BondList& BondedParticleInfo::getListOfBonds()
+//{
+//  // todo: here we actually need a container on whose destruction notifiy is emitted, i.e.
+//  // similar or simply an ObservedContainer.
+//  OBSERVE;
+//  NOTIFY(AtomObservable::BondsAdded);
+//  const unsigned int size = ListOfBonds.size();
+//  ASSERT(WorldTime::getTime() <= size,
+//      "BondedParticleInfo::getBondsAtStep() - Access out of range: "
+//      +toString(WorldTime::getTime())
+//      +" not in [0,"+toString(size)+"].");
+//  if (WorldTime::getTime() == size) {
+//    UpdateSteps();
+//  }
+//  return ListOfBonds[WorldTime::getTime()];
+//}
 
 const BondList& BondedParticleInfo::getListOfBondsAtStep(unsigned int _step) const
 {
-  BondTrajectory_t::const_iterator iter =
-    ListOfBonds.find(_step);
-  if (iter != ListOfBonds.end())
-    return iter->second;
-  return emptyList;
+  if(_step < ListOfBonds.size())
+    return ListOfBonds[_step];
+  else
+    return emptyList;
 }
+
+//BondList& BondedParticleInfo::getListOfBondsAtStep(unsigned int _step)
+//{
+//  const unsigned int size = ListOfBonds.size();
+//  ASSERT(_step <= size,
+//      "BondedParticleInfo::getBondsAtStep() - Access out of range: "
+//      +toString(_step)
+//      +" not in [0,"+toString(size)+"].");
+//  if (_step == size) {
+//    UpdateSteps();
+//  }
+//  return ListOfBonds[_step];
+//}