Changeset a39d72 for src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp

Timestamp:

Aug 5, 2015, 5:32:11 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:

07b800

Parents:

015f8c

git-author:

Frederik Heber <heber@…> (07/19/15 11:35:26)

git-committer:

Frederik Heber <heber@…> (08/05/15 17:32:11)

Message:

Fixed formula usage in Qt part of code.

• formula of a molecule is only access through ObservedValue or directly within the World's O/O system.
• Molecule may disappear before selection event.
• Atoms may disappear before selection event.

File:

• src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp (modified) (5 diffs)

src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.cpp

@@ -146 +146 @@
   setMaterial(getMaterial(1));
 
+  m_selected = const_cast<const World &>(World::getInstance()).isMoleculeSelected(_molid);
+
   // initially, atoms and bonds should be visible
   m_visible = false;
@@ -212 +214 @@
   setMaterial(getMaterial(1));
 
+  m_selected = const_cast<const World &>(World::getInstance()).isMoleculeSelected(_molid);
+
   // initially, atoms and bonds should be visible
   m_visible = false;
@@ -459 +463 @@
 {
   AtomNodeMap::iterator iter = AtomsinSceneMap.find(_id);
-  ASSERT( iter != AtomsinSceneMap.end(),
-      "GLMoleculeObject_molecule::AtomSelected() - atom "+toString(_id)
-      +" unknown to GLMoleculeObject_molecule.");
-  QMetaObject::invokeMethod(iter->second,        // pointer to a QObject
+  if (iter != AtomsinSceneMap.end())
+    QMetaObject::invokeMethod(iter->second,        // pointer to a QObject
                             "Selected",       // member name (no parameters here)
                             Qt::QueuedConnection);     // connection type
+  else
+    ELOG(2, "GLMoleculeObject_molecule::AtomSelected() - atom "
+        << _id << " unknown to GLMoleculeObject_molecule.");
 }
 
@@ -470 +475 @@
 {
   AtomNodeMap::iterator iter = AtomsinSceneMap.find(_id);
-  ASSERT( iter != AtomsinSceneMap.end(),
-      "GLMoleculeObject_molecule::AtomUnselected() - atom "+toString(_id)
-      +" unknown to GLMoleculeObject_molecule.");
-  QMetaObject::invokeMethod(iter->second,        // pointer to a QObject
+  if (iter != AtomsinSceneMap.end())
+    QMetaObject::invokeMethod(iter->second,        // pointer to a QObject
                             "Unselected",       // member name (no parameters here)
                             Qt::QueuedConnection);     // connection type
+  else ELOG(2,  "GLMoleculeObject_molecule::AtomUnselected() - atom "
+      << _id << " unknown to GLMoleculeObject_molecule.");
 }
 
@@ -567 +572 @@
         break;
     }
-  } else
-    ASSERT(0, "GLMoleculeObject_molecule::recieveNotification() - received notification from unexpected source.");
+  }
 }