Ignore:
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:
1 edited

Legend:

Unmodified
Added
Removed
  • src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp

    r7b38d3 r8c001a  
    7575  void clicked(atomId_t);
    7676  void doubleClicked();
    77   void hoverChanged(const atom*);
     77  void hoverChanged(const atom *);
    7878
    7979private slots:
    8080  void atomClicked(atomId_t no);
    81   void atomInserted(const atomicNumber_t _id);
    82   void atomRemoved(const atomicNumber_t _id);
    83   void moleculeRemoved(const molecule *_molecule);
     81  void atomInserted(const atomId_t _id);
     82  void atomRemoved(const atomId_t _id);
     83  void moleculeRemoved(const moleculeId_t _id);
     84  void moleculeInserted(const molecule * _mol);
    8485  void worldSelectionChanged();
    8586  void bondInserted(const bond::ptr _bond, const GLMoleculeObject_bond::SideOfBond side);
     
    8788  void setSelectionModeAtom();
    8889  void setSelectionModeMolecule();
    89   void hoverChangedSignalled(GLMoleculeObject *ob);
    9090  void changeAtomId(GLMoleculeObject_atom *ob, int oldId, int newOd);
    9191  void addShape();
     
    100100
    101101private:
    102   typedef std::pair< atomId_t, atomId_t> BondIds;
    103   friend std::ostream &operator<<(std::ostream &ost, const BondIds &t);
    104102
    105   BondIds getBondIds(
    106       const bond::ptr _bond,
    107       const enum GLMoleculeObject_bond::SideOfBond side) const;
    108 
    109   typedef std::map< atomId_t, GLMoleculeObject_atom* > AtomNodeMap;
    110   typedef std::map< BondIds , GLMoleculeObject_bond* > BondNodeMap;
     103  typedef std::map< atomId_t, GLMoleculeObject_molecule* > AtomMoleculeMap;
     104  typedef std::map< GLMoleculeObject_molecule::BondIds , GLMoleculeObject_molecule* > BondMoleculeMap;
    111105  typedef std::map< moleculeId_t , GLMoleculeObject_molecule* > MoleculeNodeMap;
    112106  typedef std::map< std::string , GLMoleculeObject_shape* > ShapeNodeMap;
    113   AtomNodeMap AtomsinSceneMap;
    114   BondNodeMap BondsinSceneMap;
     107  AtomMoleculeMap AtomsinSceneMap;
     108  BondMoleculeMap BondsinSceneMap;
    115109  MoleculeNodeMap MoleculesinSceneMap;
    116110  ShapeNodeMap ShapesinSceneMap;
    117111
    118   QGLSceneNode *meshEmpty[GLMoleculeObject::DETAILTYPES_MAX];
    119   QGLSceneNode *meshSphere[GLMoleculeObject::DETAILTYPES_MAX];
    120   QGLSceneNode *meshCylinder[GLMoleculeObject::DETAILTYPES_MAX];
    121 
    122112  SelectionModeType selectionMode;
    123   const atom *hoverAtom;
    124113};
    125114
    126 std::ostream &operator<<(std::ostream &ost, const GLWorldScene::BondIds &t);
    127 
    128115#endif /* GLWORLDSCENE_HPP_ */
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