Changeset 6d4925 for src/UIElements

Timestamp:

Feb 14, 2016, 12:33:42 PM (9 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:

9e9100

Parents:

42d7dc

git-author:

Frederik Heber <heber@…> (12/13/15 16:06:18)

git-committer:

Frederik Heber <heber@…> (02/14/16 12:33:42)

Message:

FIX: QtObservedInstanceBoard needs to allow delayed atomInserted from World.

• we may get the notification from molecule before we get the insertion from the World. Hence, we store any ids obtained from molecule insertion if the set of the new atom's observed values have not been generated yet.

Location:

src/UIElements/Qt4/InstanceBoard

Files:

• QtObservedInstanceBoard.cpp (modified) (2 diffs)
• QtObservedInstanceBoard.hpp (modified) (1 diff)

src/UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.cpp

@@ -218 +218 @@
           _atom->signOn(this, atom::IndexChanged);
           AtomSignedOn.insert( static_cast<Observable *>(const_cast<atom *>(_atom)) );
+          emit atomInserted(observedatom->getAtomMoleculeIndex(), observedatom->getAtomIndex());
         } else {
           ELOG(1, "QtObservedInstanceBoard got AtomInserted for unknown atom id " << _id);
@@ -297 +298 @@
         const atomId_t newatomId = dynamic_cast<atom *>(publisher)->getId();
         LOG(3, "DEBUG: InformationBoard got IndexChanged from atom " << oldatomId << " to " << newatomId);
+#ifndef NDEBUG
+        bool status =
+#endif
         atomObservedValues.changeIdentifier(oldatomId, newatomId);
+        ASSERT( status,
+            "QtObservedInstanceBoard::recieveNotification() - cannot change atom's id "
+            +toString(oldatomId)+" "+toString(newatomId)+" in atomObservedValues.");
+        // changed insertion delayed
+        atomInsertionDelayed_t::iterator iter = atomInsertionDelayed.find(oldatomId);
+        if (iter != atomInsertionDelayed.end()) {
+          const moleculeId_t molid = iter->second;
+          atomInsertionDelayed.erase(iter);
+#ifndef NDEBUG
+          std::pair<atomInsertionDelayed_t::iterator, bool> inserter =
+#endif
+          atomInsertionDelayed.insert( std::make_pair(newatomId, molid) );
+          ASSERT( inserter.second,
+              "QtObservedInstanceBoard::recieveNotification() - id "
+              +toString(newatomId)+" already present in atomInsertionDelayed.");
+        }
         // no need update SignedOn, ref does not change
         emit atomIndexChanged(oldatomId, newatomId);

src/UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp

@@ -149 +149 @@
   moleculeId_t lastremovedmolecule;
 
+  //!> map keyed to atomId_t for atoms who are associated to a molecule but not yet inserted
+  typedef std::map<atomId_t, moleculeId_t> atomInsertionDelayed_t;
+  //!> map to contain atoms whose insertion is known from the molecule but not yet from the World
+  atomInsertionDelayed_t atomInsertionDelayed;
 };