source: src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.hpp@ fbb1f1

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 fbb1f1 was fbb1f1, checked in by Frederik Heber <heber@…>, 13 years ago

GLMoleculeObject_bond: dynamic bond distance via matrices

  • Property mode set to 100644
File size: 3.0 KB
Line 
1/*
2 * GLMoleculeObject.hpp
3 *
4 * This is based on the Qt3D example "teaservice", specifically meshobject.h.
5 *
6 * Created on: Aug 17, 2011
7 * Author: heber
8 */
9
10#ifndef GLMOLECULEOBJECT_HPP_
11#define GLMOLECULEOBJECT_HPP_
12
13// include config.h
14#ifdef HAVE_CONFIG_H
15#include <config.h>
16#endif
17
18
19#include <QtCore/qobject.h>
20#include <QtGui/qevent.h>
21
22#include <Qt3D/qglpainter.h>
23#include <Qt3D/qglabstractscene.h>
24
25class QGLView;
26class QGLSceneNode;
27class GLMoleculeScene;
28
29/** This class represents a single object within a molecule, e.g. atom or bond.
30 *
31 */
32class GLMoleculeObject : public QObject
33{
34 Q_OBJECT
35
36 //!> Allow it to call cleanMaterialMap()
37 friend class GLWorldScene;
38public:
39 explicit GLMoleculeObject(QGLSceneNode *GLMoleculeObject, QObject *parent=0);
40 explicit GLMoleculeObject(QGLAbstractScene *scene, QObject *parent=0);
41 virtual ~GLMoleculeObject();
42
43 QVector3D position() const { return m_position; }
44 void setPosition(const QVector3D& value) { m_position = value; }
45
46 qreal scale() const { return m_scale; }
47 void setScale(qreal value) { m_scale = value; }
48
49 qreal scaleZ() const { return m_scaleZ; }
50 void setScaleZ(qreal value) { m_scaleZ = value; }
51
52 qreal rotationAngle() const { return m_rotationAngle; }
53 void setRotationAngle(qreal value) { m_rotationAngle = value; }
54
55 QVector3D rotationVector() const { return m_rotationVector; }
56 void setRotationVector(const QVector3D& value) { m_rotationVector = value; }
57
58 QGLMaterial *material() const { return m_material; }
59 void setMaterial(QGLMaterial *value)
60 { m_material = value; m_hoverMaterial = value; }
61
62 QGLMaterial *hoverMaterial() const { return m_hoverMaterial; }
63 void setHoverMaterial(QGLMaterial *value) { m_hoverMaterial = value; }
64
65 QGLMaterial *selectionMaterial() const { return m_selectionMaterial; }
66 void setSelectionMaterial(QGLMaterial *value) { m_selectionMaterial = value; }
67
68 QGLAbstractEffect *effect() const { return m_effect; }
69 void setEffect(QGLAbstractEffect *value) { m_effect = value; }
70
71 int objectId() const { return m_objectId; }
72 void setObjectId(int id) { m_objectId = id; }
73
74 void initialize(QGLView *view, QGLPainter *painter);
75 void draw(QGLPainter *painter);
76
77signals:
78 void pressed();
79 void released();
80 void clicked();
81 void doubleClicked();
82 void hoverChanged();
83
84protected:
85 bool event(QEvent *e);
86
87 static QGLMaterial* getMaterial(size_t);
88 static void cleanMaterialMap();
89
90 typedef std::map< size_t, QGLMaterial *> ElementMaterialMap;
91 static ElementMaterialMap ElementNoMaterialMap;
92
93private:
94
95 QGLSceneNode *m_mesh;
96 QGLSceneNode *m_GLMoleculeObject;
97 QGLAbstractScene *m_scene;
98 QVector3D m_position;
99 qreal m_scale;
100 qreal m_scaleZ;
101 qreal m_rotationAngle;
102 QVector3D m_rotationVector;
103 QGLMaterial *m_material;
104 QGLMaterial *m_hoverMaterial;
105 QGLMaterial *m_selectionMaterial;
106 QGLAbstractEffect *m_effect;
107 int m_objectId;
108 bool m_hovering;
109 bool m_selected;
110};
111
112
113#endif /* GLMOLECULEOBJECT_HPP_ */
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