Changeset 8d3ee6 for src/UIElements/Views

Timestamp:

Jul 24, 2015, 4:44:35 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:

d619338

Parents:

084304

git-author:

Frederik Heber <heber@…> (06/02/15 17:10:49)

git-committer:

Frederik Heber <heber@…> (07/24/15 16:44:35)

Message:

FIX: GLMoleculeObject_molecule was not informed of atom index change.

Location:

src/UIElements/Views/Qt4/Qt3D

Files:

• GLMoleculeObject_molecule.cpp (modified) (2 diffs)
• GLMoleculeObject_molecule.hpp (modified) (2 diffs)

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

@@ -572 +572 @@
     connect (atomObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
     connect (atomObject, SIGNAL(BondsInserted(const bond::ptr , const GLMoleculeObject_bond::SideOfBond)), this, SLOT(bondInserted(const bond::ptr , const GLMoleculeObject_bond::SideOfBond)));
-    connect (atomObject, SIGNAL(indexChanged(GLMoleculeObject_atom*, int, int)), this, SIGNAL(changeAtomId(GLMoleculeObject_atom*, int, int)));
+    connect (atomObject, SIGNAL(indexChanged(GLMoleculeObject_atom*, int, int)), this, SLOT(changeAtomId(GLMoleculeObject_atom*, int, int)));
 
     isBoundingBoxUptodate = false;
@@ -743 +743 @@
   emit moleculeClicked(moleculeid);
 }
+
+void GLMoleculeObject_molecule::changeAtomId(GLMoleculeObject_atom *ob, int oldId, int newId)
+{
+  LOG(3, "INFO: GLMoleculeObject_molecule - change atom id " << oldId << " to " << newId << ".");
+
+  // Remove from map.
+  AtomNodeMap::iterator iter = AtomsinSceneMap.find(oldId);
+  ASSERT(iter != AtomsinSceneMap.end(),
+      "GLMoleculeObject_molecule::changeAtomId() - atom with old id "+toString(oldId)+" not on display.");
+  ASSERT(iter->second == ob,
+      "GLMoleculeObject_molecule::changeAtomId() - atom with id "
+      +toString(oldId)+" does not match with object in AtomsinSceneMap.");
+  AtomsinSceneMap.erase(iter);
+
+  // Reinsert with new id.
+  {
+    AtomNodeMap::iterator iter = AtomsinSceneMap.find(newId);
+    ASSERT(iter == AtomsinSceneMap.end(),
+          "GLMoleculeObject_molecule::changeAtomId() - atom with new id "+toString(newId)+" already known.");
+  }
+  AtomsinSceneMap.insert( make_pair(newId, ob) );
+}

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

@@ -61 +61 @@
   void atomClicked(atomId_t no);
   void moleculeClicked(moleculeId_t no);
-  void changeAtomId(GLMoleculeObject_atom *, int, int);
 
 private slots:
@@ -73 +72 @@
   void bondRemoved(const atomId_t leftnr, const atomId_t rightnr);
   void hoverChangedSignalled(GLMoleculeObject *ob);
+  void changeAtomId(GLMoleculeObject_atom *, int, int);
 
   void setVisible(bool value);