Changeset 96f14a for src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp

Timestamp:

Apr 20, 2016, 10:58:43 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:

d48a16

Parents:

b4bd0e

git-author:

Frederik Heber <heber@…> (03/24/16 13:26:51)

git-committer:

Frederik Heber <heber@…> (04/20/16 22:58:43)

Message:

Modified all GLMoleculeObjects and GLWorldScene to the new QtObservedBond.

• GLWorldScene transmits bondInserted/bondRemoved similarly to those for the atoms to the molecule if aLready present and otherwise into the MissedStateMap.

File:

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

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

@@ -23 +23 @@
 
 #include <boost/function.hpp>
-
-#include "CodePatterns/Cacheable.hpp"
-#include "CodePatterns/Observer/Observable.hpp"
 
 #include "GLMoleculeObject_bond.hpp"
@@ -59 +56 @@
   friend std::ostream &operator<<(std::ostream &ost, const BondIds &t);
 
-  static BondIds getBondIds(
-      const bond::ptr _bond,
-      const enum GLMoleculeObject_bond::SideOfBond side);
-
 signals:
   void changed();
@@ -80 +73 @@
   void atomInserted(QtObservedAtom::ptr _atom);
   void atomRemoved(ObservedValue_Index_t _id);
-  void bondInserted(const atomId_t, const atomId_t, const GLMoleculeObject_bond::SideOfBond side);
-  void bondRemoved(const atomId_t leftnr, const atomId_t rightnr);
+  void bondInserted(QtObservedBond::ptr _bond);
+  void bondRemoved(ObservedValue_Index_t _id);
   void hoverChangedSignalled(GLMoleculeObject *ob);
 
@@ -92 +85 @@
 
 private:
-  void addAtomBonds(
-      const bond::ptr &_bond,
-      const GLMoleculeObject_bond::SideOfBond _side
-      );
 
-  void init(const moleculeId_t _molid);
+  void init();
 
 private:
@@ -113 +102 @@
 
   typedef std::map< ObservedValue_Index_t, GLMoleculeObject_atom* > AtomNodeMap;
-  typedef std::map< BondIds , GLMoleculeObject_bond* > BondNodeMap;
+  typedef std::multimap< ObservedValue_Index_t, GLMoleculeObject_bond* > BondNodeMap;
   AtomNodeMap AtomsinSceneMap;
   BondNodeMap BondsinSceneMap;