Changeset 2ad1ec for src/Atom

Timestamp:

Feb 17, 2012, 3:24:17 PM (13 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:

8bf9c6

Parents:

3f7587

git-author:

Frederik Heber <heber@…> (01/05/12 16:10:53)

git-committer:

Frederik Heber <heber@…> (02/17/12 15:24:17)

Message:

Rewrite of how GLWorldScene and subsidiaries get notified of changed bonds and atoms.

• we have made the connections from the real atoms and bonds to the nodes within GLWorldScene a lot easier. Also this fixes a crash when Subgraph- Dissection is called.
• renamed BondedParticle::BondsChanged -> ::BondsAdded.
• GLMoleculeObject_bond now observes its associated bond.
• added documentation on how the mechanism works in qt-gui.dox.

Location:

src/Atom

Files:

• atom_bondedparticle.cpp (modified) (1 diff)
• atom_bondedparticleinfo.cpp (modified) (1 diff)
• atom_observable.hpp (modified) (1 diff)

src/Atom/atom_bondedparticle.cpp

@@ -155 +155 @@
       ListOfBonds[_step].push_back(Binder);
       if (WorldTime::getTime() == _step)
-        NOTIFY(AtomObservable::BondsChanged);
+        NOTIFY(AtomObservable::BondsAdded);
       status = true;
     } else {

src/Atom/atom_bondedparticleinfo.cpp

@@ -61 +61 @@
 //  // similar or simply an ObservedContainer.
 //  OBSERVE;
-//  NOTIFY(AtomObservable::BondsChanged);
+//  NOTIFY(AtomObservable::BondsAdded);
 //  const unsigned int size = ListOfBonds.size();
 //  ASSERT(WorldTime::getTime() <= size,

src/Atom/atom_observable.hpp

@@ -33 +33 @@
     IndexChanged,     // index (getId()) changed
     PropertyChanged,  // some other property changed
-    BondsChanged,     // list of bonds has changed
+    BondsAdded,       // new bonds have appeared on ListOfBonds
     BondDegreeChanged,     // bond degree has changed
     NotificationType_MAX  // denotes the maximum of available notification types