Changeset 76c238 for src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_molecule.hpp

Timestamp:

Apr 20, 2016, 8:52:04 AM (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:

4690a7

Parents:

1d9b6dd

git-author:

Frederik Heber <heber@…> (03/21/16 23:32:47)

git-committer:

Frederik Heber <heber@…> (04/20/16 08:52:04)

Message:

Removed GLMoleculeObject_molecule::getPresentAtoms() and changed atomRemoved slot of GLMoleculeObject_molecule.

• this required AtomsInSceneMap to use new Index.

File:

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

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

@@ -68 +68 @@
   void hoverChanged(const atomId_t);
   void hoverChanged(const moleculeId_t, int);
-  void indexChanged(GLMoleculeObject_molecule *, const moleculeId_t, const moleculeId_t);
   void atomClicked(atomId_t);
   void moleculeClicked(moleculeId_t);
@@ -80 +79 @@
   void wasClicked();
   void atomInserted(QtObservedAtom::ptr _atom);
-  void atomRemoved(const atomId_t _id);
+  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 hoverChangedSignalled(GLMoleculeObject *ob);
-  void changeAtomId(GLMoleculeObject_atom *, const atomId_t, const atomId_t);
 
   void setVisible(bool value);
@@ -100 +98 @@
 
   void init(const moleculeId_t _molid);
-
-  //!> typedef for the internal set of atoms
-  typedef std::set<atomId_t> atoms_t;
-
-  /** Getter to contained atoms contained in \a ObservedValues.
-   *
-   * \return molecule's contained atoms
-   */
-  atoms_t getPresentAtoms() const;
 
 private:
@@ -126 +115 @@
   QGeometryData TesselationHull;
 
-  //!> contains the set of atoms displayed
-  atoms_t DisplayedAtoms;
-
-  typedef std::map< atomId_t, GLMoleculeObject_atom* > AtomNodeMap;
+  typedef std::map< ObservedValue_Index_t, GLMoleculeObject_atom* > AtomNodeMap;
   typedef std::map< BondIds , GLMoleculeObject_bond* > BondNodeMap;
   AtomNodeMap AtomsinSceneMap;