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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Line | |
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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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21 | #include "atom.hpp"
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22 | #include "molecule.hpp"
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23 |
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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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34 | Q_OBJECT
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35 | public:
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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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44 |
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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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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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