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
Last change
on this file since 06ebf5 was 06ebf5, checked in by Frederik Heber <heber@…>, 14 years ago |
Clicking on atoms works.
- GLMoleculeObject_atom, GLMoleculeScene, GLWorldScene have a signal/slot chain
that is gradually enriched with ids of clicked atom part of clicked molecule.
|
-
Property mode
set to
100644
|
File size:
1.3 KB
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Rev | Line | |
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[907636] | 1 | /*
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| 2 | * GLMoleculeScene.hpp
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| 3 | *
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| 4 | * This is based on the Qt3D example "teaservice", specifically sceneobject.h.
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| 5 | *
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| 6 | * Created on: Aug 17, 2011
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| 7 | * Author: heber
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| 8 | */
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| 9 |
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| 10 | #ifndef GLMOLECULESCENE_HPP_
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| 11 | #define GLMOLECULESCENE_HPP_
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| 12 |
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| 13 | // include config.h
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| 14 | #ifdef HAVE_CONFIG_H
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| 15 | #include <config.h>
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| 16 | #endif
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| 17 |
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| 18 | #include <QtCore/qobject.h>
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| 19 | #include <Qt3D/qglpainter.h>
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| 20 |
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[06ebf5] | 21 | #include "atom.hpp"
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| 22 | #include "molecule.hpp"
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| 23 |
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[907636] | 24 | class QGLView;
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| 25 | class GLMoleculeObject_atom;
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| 26 | class GLMoleculeObject_bond;
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| 27 |
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| 28 | /** This class represent a single molecule within the scene with all its atoms
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| 29 | * and bonds.
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| 30 | *
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| 31 | */
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| 32 | class GLMoleculeScene : public QObject
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| 33 | {
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[06ebf5] | 34 | Q_OBJECT
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[907636] | 35 | public:
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[06ebf5] | 36 | explicit GLMoleculeScene(QObject *parent, molecule *_mol);
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| 37 | virtual ~GLMoleculeScene();
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| 38 |
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| 39 | virtual void initialize(QGLView *view, QGLPainter *painter);
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| 40 | virtual void draw(QGLPainter *painter);
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| 41 |
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| 42 | private slots:
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| 43 | void atomClicked(atomId_t no);
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[907636] | 44 |
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[06ebf5] | 45 | signals:
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| 46 | void pressed();
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| 47 | void released();
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| 48 | void clicked();
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| 49 | void clicked(atomId_t, moleculeId_t);
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| 50 | void doubleClicked();
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| 51 | void hoverChanged();
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[907636] | 52 |
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| 53 | private:
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| 54 | typedef std::map< size_t, GLMoleculeObject_atom* > AtomNodeMap;
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| 55 | typedef std::map< std::pair< size_t, size_t> , GLMoleculeObject_bond* > BondNodeMap;
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| 56 | AtomNodeMap AtomsinMoleculeMap;
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| 57 | BondNodeMap BondsinMoleculeMap;
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| 58 |
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| 59 | molecule *mol;
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| 60 | };
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| 61 |
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| 62 |
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| 63 |
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| 64 | #endif /* GLMOLECULESCENE_HPP_ */
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