Changeset c32d21

Timestamp:

Jan 10, 2015, 5:14:32 PM (10 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable

Children:

7b5984

Parents:

34e7fdb

git-author:

Frederik Heber <heber@…> (11/12/14 18:14:17)

git-committer:

Frederik Heber <heber@…> (01/10/15 17:14:32)

Message:

Molecule relays atom's PositionChanged as AtomMoved signal.

• this allows to update tesselation hull only when something changed.

Location:

src

Files:

• Atom/atom.cpp (modified) (3 diffs)
• molecule.cpp (modified) (2 diffs)
• molecule.hpp (modified) (2 diffs)

src/Atom/atom.cpp

@@ -270 +270 @@
   removeFromMolecule();
   mol = _mol;
-  if ((mol) && (!mol->containsAtom(this)))
+  if ((mol) && (!mol->containsAtom(this))) {
+    signOn(mol, AtomObservable::PositionChanged);
     mol->insert(this);
+  }
 }
 
@@ -279 +281 @@
   ASSERT(!mol->containsAtom(this),
       "atom::unsetMolecule() - old molecule "+toString(mol)+" still contains us!");
+  signOff(mol, AtomObservable::PositionChanged);
   mol = NULL;
 }
@@ -289 +292 @@
   if(mol){
     if(mol->containsAtom(this)){
+      signOff(mol, AtomObservable::PositionChanged);
       mol->erase(this);
     }

src/molecule.cpp

@@ -49 +49 @@
 #include "CodePatterns/enumeration.hpp"
 #include "CodePatterns/Log.hpp"
+#include "CodePatterns/Observer/Notification.hpp"
 #include "config.hpp"
 #include "Descriptors/AtomIdDescriptor.hpp"
@@ -1004 +1005 @@
 }
 
+void molecule::update(Observable *publisher)
+{
+  ASSERT(0, "molecule::update() - did not sign on for any general updates.");
+}
+
+void molecule::recieveNotification(Observable *publisher, Notification_ptr notification)
+{
+  const atom * const _atom = dynamic_cast<atom *>(publisher);
+  if ((_atom != NULL) && containsAtom(_atom)) {
+#ifdef LOG_OBSERVER
+    observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(static_cast<Observer *>(this))
+          << " received notification from atom " << _atom->getId() << " for channel "
+          << notification->getChannelNo() << ".";
+#endif
+    switch (notification->getChannelNo()) {
+      case AtomObservable::PositionChanged:
+      {
+        // emit others about one of our atoms moved
+        _lastchangedatom = const_cast<atom *>(_atom);
+        OBSERVE;
+        NOTIFY(AtomMoved);
+        break;
+      }
+      default:
+        ASSERT( 0, "molecule::recieveNotification() - we did not sign up for channel "
+            +toString(notification->getChannelNo()));
+        break;
+    }
+  }
+}
+
+void molecule::subjectKilled(Observable *publisher)
+{
+  // do nothing, atom does it all
+}
+
+
 // construct idpool
 CONSTRUCT_IDPOOL(atomId_t, continuousId)

src/molecule.hpp

@@ -105 +105 @@
     AtomRemoved,
     AtomNrChanged,
+    AtomMoved,
     MoleculeNameChanged,
     NotificationType_MAX
@@ -322 +323 @@
   void flipActiveFlag();
 
+  virtual void update(Observable *publisher);
+  virtual void recieveNotification(Observable *publisher, Notification_ptr notification);
+  virtual void subjectKilled(Observable *publisher);
+
 private:
   friend const atom *detail::lastChanged<atom>();