Changeset 8c001a for src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp

Timestamp:

Jan 10, 2015, 5:14:21 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:

739ee9

Parents:

7b38d3

git-author:

Frederik Heber <heber@…> (11/05/14 19:19:42)

git-committer:

Frederik Heber <heber@…> (01/10/15 17:14:21)

Message:

GLMoleculeObject_atoms and .._bonds are now children of .._molecule.

• GLMoleculeObject::initialize() is now virtual.
• .._molecule is now draw()ing its children, i.e. initialize() of .._molecule calls in turn those of .._atom and .._bond. Similarly with draw.
• molecule has a lastchangedatom member variable now.
• FIX: molecule::getBoundingSphere() did not check for no atoms.

File:

• src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp (modified) (3 diffs)

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

@@ -75 +75 @@
   void clicked(atomId_t);
   void doubleClicked();
-  void hoverChanged(const atom*);
+  void hoverChanged(const atom *);
 
 private slots:
   void atomClicked(atomId_t no);
-  void atomInserted(const atomicNumber_t _id);
-  void atomRemoved(const atomicNumber_t _id);
-  void moleculeRemoved(const molecule *_molecule);
+  void atomInserted(const atomId_t _id);
+  void atomRemoved(const atomId_t _id);
+  void moleculeRemoved(const moleculeId_t _id);
+  void moleculeInserted(const molecule * _mol);
   void worldSelectionChanged();
   void bondInserted(const bond::ptr _bond, const GLMoleculeObject_bond::SideOfBond side);
@@ -87 +88 @@
   void setSelectionModeAtom();
   void setSelectionModeMolecule();
-  void hoverChangedSignalled(GLMoleculeObject *ob);
   void changeAtomId(GLMoleculeObject_atom *ob, int oldId, int newOd);
   void addShape();
@@ -100 +100 @@
 
 private:
-  typedef std::pair< atomId_t, atomId_t> BondIds;
-  friend std::ostream &operator<<(std::ostream &ost, const BondIds &t);
 
-  BondIds getBondIds(
-      const bond::ptr _bond,
-      const enum GLMoleculeObject_bond::SideOfBond side) const;
-
-  typedef std::map< atomId_t, GLMoleculeObject_atom* > AtomNodeMap;
-  typedef std::map< BondIds , GLMoleculeObject_bond* > BondNodeMap;
+  typedef std::map< atomId_t, GLMoleculeObject_molecule* > AtomMoleculeMap;
+  typedef std::map< GLMoleculeObject_molecule::BondIds , GLMoleculeObject_molecule* > BondMoleculeMap;
   typedef std::map< moleculeId_t , GLMoleculeObject_molecule* > MoleculeNodeMap;
   typedef std::map< std::string , GLMoleculeObject_shape* > ShapeNodeMap;
-  AtomNodeMap AtomsinSceneMap;
-  BondNodeMap BondsinSceneMap;
+  AtomMoleculeMap AtomsinSceneMap;
+  BondMoleculeMap BondsinSceneMap;
   MoleculeNodeMap MoleculesinSceneMap;
   ShapeNodeMap ShapesinSceneMap;
 
-  QGLSceneNode *meshEmpty[GLMoleculeObject::DETAILTYPES_MAX];
-  QGLSceneNode *meshSphere[GLMoleculeObject::DETAILTYPES_MAX];
-  QGLSceneNode *meshCylinder[GLMoleculeObject::DETAILTYPES_MAX];
-
   SelectionModeType selectionMode;
-  const atom *hoverAtom;
 };
 
-std::ostream &operator<<(std::ostream &ost, const GLWorldScene::BondIds &t);
-
 #endif /* GLWORLDSCENE_HPP_ */