Changeset a13f2b for src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp

Timestamp:

Apr 20, 2016, 11:07:47 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:

b2eeaf

Parents:

502614

git-author:

Frederik Heber <heber@…> (04/12/16 18:37:31)

git-committer:

Frederik Heber <heber@…> (04/20/16 23:07:47)

Message:

GLWorldScene can now reparent atoms and bonds whose molecule is instantiated later.

• parent maps are now bimaps.

File:

• src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) (4 diffs)

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

@@ -20 +20 @@
 #include <iosfwd>
 
+#include <boost/bimap.hpp>
 #include <boost/thread/recursive_mutex.hpp>
 
@@ -117 +118 @@
 
 private:
+
+  GLMoleculeObject_molecule *getMoleculeObject(
+      const ObservedValue_Index_t _molid) const;
+
+  void resetParent(
+      GLMoleculeObject *_obj,
+      GLMoleculeObject_molecule *_molobj);
+
   void reparentBond(
       QtObservedBond *_bond,
@@ -140 +149 @@
 
   //!> typedef for storing the current parent to each atom node in scene, NULL indicates GLWorldScene is parent
-  typedef std::map<ObservedValue_Index_t, ObservedValue_Index_t> AtomNodeParentMap_t;
+  typedef boost::bimap<
+      boost::bimaps::set_of< ObservedValue_Index_t >,
+      boost::bimaps::multiset_of< ObservedValue_Index_t >
+  > AtomNodeParentMap_t;
   //!> typedef for storing the current parent to each bond node in scene, NULL indicates GLWorldScene is parent
-  typedef std::map<ObservedValue_Index_t, std::vector<ObservedValue_Index_t> > BondNodeParentMap_t;
+  typedef boost::bimap<
+      boost::bimaps::set_of< ObservedValue_Index_t >,
+      boost::bimaps::multiset_of< ObservedValue_Index_t >
+  > BondNodeParentMap_t;
 
   //!> mutex to ascertain atomic access to NodeParentMaps
@@ -153 +168 @@
   ShapeNodeMap ShapesinSceneMap;
   AtomNodeParentMap_t AtomNodeParentMap;
-  BondNodeParentMap_t BondNodeParentMap;
+  std::vector<BondNodeParentMap_t> BondNodeParentMaps;
 
   SelectionModeType selectionMode;