Changes in src/UIElements/Qt4/InstanceBoard/QtObservedAtom.cpp [4dfe724:897a01]

File:

• src/UIElements/Qt4/InstanceBoard/QtObservedAtom.cpp (modified) (9 diffs)

src/UIElements/Qt4/InstanceBoard/QtObservedAtom.cpp

@@ -89 +89 @@
 QtObservedAtom::AtomPositionChannels(1, AtomObservable::PositionChanged);
 const Observable::channels_t
+QtObservedAtom::AtomVelocityChannels(1, AtomObservable::VelocityChanged);
+const Observable::channels_t
+QtObservedAtom::AtomForceChannels(1, AtomObservable::ForceChanged);
+const Observable::channels_t
 QtObservedAtom::AtomSelectedChannels(1, AtomObservable::SelectionChanged);
 
@@ -124 +128 @@
   boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(ObservedValues[AtomName])->noteCallBackIsGone();
   boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[AtomPosition])->noteCallBackIsGone();
+  boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[AtomVelocity])->noteCallBackIsGone();
+  boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[AtomForce])->noteCallBackIsGone();
   boost::any_cast<ObservedValue_wCallback<bool, ObservedValue_Index_t> *>(ObservedValues[AtomSelected])->noteCallBackIsGone();
 
@@ -215 +221 @@
 inline
 #endif
+Vector QtObservedAtom::updateVelocity(
+    const atom &_atom)
+{
+  return _atom.getAtomicVelocity();
+}
+
+#ifdef HAVE_INLINE
+inline
+#endif
+Vector QtObservedAtom::updateForce(
+    const atom &_atom)
+{
+  return _atom.getAtomicForce();
+}
+
+#ifdef HAVE_INLINE
+inline
+#endif
 bool QtObservedAtom::updateSelected(
     const atom &_atom)
@@ -269 +293 @@
     boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(
         ObservedValues[AtomPosition])->forceUpdate();
+    boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(
+        ObservedValues[AtomVelocity])->forceUpdate();
+    boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(
+        ObservedValues[AtomForce])->forceUpdate();
     boost::any_cast<ObservedValue_wCallback<QtObservedMolecule*, ObservedValue_Index_t> *>(
         ObservedValues[MoleculeRef])->forceUpdate();
     // then tell Qt part about updates
     emit positionChanged();
+    emit velocityChanged();
+    emit forceChanged();
     emit moleculeChanged();
   } else {
@@ -296 +326 @@
       case AtomObservable::PositionChanged:
         emit positionChanged();
+        break;
+      case AtomObservable::VelocityChanged:
+        emit velocityChanged();
+        break;
+      case AtomObservable::ForceChanged:
+        emit forceChanged();
         break;
       case AtomObservable::SelectionChanged:
@@ -362 +398 @@
   const boost::function<Vector ()> AtomPositionUpdater(
       boost::bind(&QtObservedAtom::updatePosition, boost::cref(*_atomref)));
+  const boost::function<Vector ()> AtomVelocityUpdater(
+      boost::bind(&QtObservedAtom::updateVelocity, boost::cref(*_atomref)));
+  const boost::function<Vector ()> AtomForceUpdater(
+      boost::bind(&QtObservedAtom::updateForce, boost::cref(*_atomref)));
   const boost::function<bool ()> AtomSelectedUpdater(
       boost::bind(&QtObservedAtom::updateSelected, boost::cref(*_atomref)));
@@ -401 +441 @@
       AtomPositionUpdater(),
       AtomPositionChannels,
+      _subjectKilled);
+  _ObservedValues[AtomVelocity] = new ObservedValue_wCallback<Vector, ObservedValue_Index_t>(
+      _atomref,
+      AtomVelocityUpdater,
+      "AtomVelocity_"+toString(_id),
+      AtomVelocityUpdater(),
+      AtomVelocityChannels,
+      _subjectKilled);
+  _ObservedValues[AtomForce] = new ObservedValue_wCallback<Vector, ObservedValue_Index_t>(
+      _atomref,
+      AtomForceUpdater,
+      "AtomForce_"+toString(_id),
+      AtomForceUpdater(),
+      AtomForceChannels,
       _subjectKilled);
   _ObservedValues[AtomSelected] = new ObservedValue_wCallback<bool, ObservedValue_Index_t>(
@@ -426 +480 @@
   delete boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(_ObservedValues[AtomName]);
   delete boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(_ObservedValues[AtomPosition]);
+  delete boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(_ObservedValues[AtomVelocity]);
+  delete boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(_ObservedValues[AtomForce]);
   delete boost::any_cast<ObservedValue_wCallback<bool, ObservedValue_Index_t> *>(_ObservedValues[AtomSelected]);
   delete boost::any_cast<ObservedValue_wCallback<QtObservedMolecule*, ObservedValue_Index_t> *>(_ObservedValues[MoleculeRef]);
@@ -463 +519 @@
 }
 
+const Vector& QtObservedAtom::getAtomVelocity() const
+{
+  return boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[AtomVelocity])->get();
+}
+
+const Vector& QtObservedAtom::getAtomForce() const
+{
+  return boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[AtomForce])->get();
+}
+
 const bool QtObservedAtom::getAtomSelected() const
 {