source: src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp@ 8a77ac

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 8a77ac was 8a77ac, checked in by Frederik Heber <heber@…>, 13 years ago

GL: track atoms changing position

  • Property mode set to 100644
File size: 7.3 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
5 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
6 */
7
8/*
9 * GLMoleculeObject.cpp
10 *
11 * This is based on the Qt3D example "teaservice", specifically meshobject.cpp.
12 *
13 * Created on: Aug 17, 2011
14 * Author: heber
15 */
16
17// include config.h
18#ifdef HAVE_CONFIG_H
19#include <config.h>
20#endif
21
22#include "GLMoleculeObject.hpp"
23
24#include <Qt3D/qglview.h>
25#include <Qt3D/qglscenenode.h>
26#include <Qt3D/qglpainter.h>
27#include <Qt3D/qglmaterial.h>
28
29#include "CodePatterns/MemDebug.hpp"
30
31#include "CodePatterns/Assert.hpp"
32#include "CodePatterns/Log.hpp"
33
34#include "Helpers/defs.hpp"
35#include "Element/element.hpp"
36#include "Element/periodentafel.hpp"
37#include "World.hpp"
38
39GLMoleculeObject::ElementMaterialMap GLMoleculeObject::ElementNoMaterialMap;
40
41
42#include "CodePatterns/MemDebug.hpp"
43
44
45GLMoleculeObject::GLMoleculeObject(QGLSceneNode *GLMoleculeObject, QObject *parent)
46 : QObject(parent)
47{
48 m_mesh = 0;
49 m_GLMoleculeObject = GLMoleculeObject;
50 m_scale = 1.0f;
51 m_rotationAngle = 0.0f;
52 m_effect = 0;
53 m_objectId = -1;
54 m_hovering = false;
55 m_selected = false;
56 m_material = 0;
57 m_hoverMaterial = 0;
58 m_selectionMaterial = 0;
59}
60
61GLMoleculeObject::GLMoleculeObject(QGLAbstractScene *scene, QObject *parent)
62 : QObject(parent)
63{
64 scene->setParent(this);
65 m_mesh = 0;
66 m_GLMoleculeObject = scene->mainNode();
67 m_scale = 1.0f;
68 m_rotationAngle = 0.0f;
69 m_effect = 0;
70 m_objectId = -1;
71 m_hovering = false;
72 m_selected = false;
73 m_material = 0;
74 m_hoverMaterial = 0;
75 m_selectionMaterial = 0;
76}
77
78GLMoleculeObject::~GLMoleculeObject()
79{
80 delete m_mesh;
81}
82
83void GLMoleculeObject::initialize(QGLView *view, QGLPainter *painter)
84{
85 Q_UNUSED(painter);
86 if (m_objectId != -1)
87 view->registerObject(m_objectId, this);
88}
89
90void GLMoleculeObject::draw(QGLPainter *painter)
91{
92 // Position the model at its designated position, scale, and orientation.
93 painter->modelViewMatrix().push();
94 painter->modelViewMatrix().translate(m_position);
95 if (m_scale != 1.0f)
96 painter->modelViewMatrix().scale(m_scale);
97 if (m_rotationAngle != 0.0f)
98 painter->modelViewMatrix().rotate(m_rotationAngle, m_rotationVector);
99
100 // Apply the material and effect to the painter.
101 QGLMaterial *material;
102 if (m_hovering)
103 material = m_hoverMaterial;
104 else if (m_selected)
105 material = m_selectionMaterial;
106 else
107 material = m_material;
108 painter->setColor(material->diffuseColor());
109 painter->setFaceMaterial(QGL::AllFaces, material);
110 if (m_effect)
111 painter->setUserEffect(m_effect);
112 else
113 painter->setStandardEffect(QGL::LitMaterial);
114
115 // Mark the object for object picking purposes.
116 int prevObjectId = painter->objectPickId();
117 if (m_objectId != -1)
118 painter->setObjectPickId(m_objectId);
119
120 // Draw the geometry mesh.
121 if (m_GLMoleculeObject)
122 m_GLMoleculeObject->draw(painter);
123 else
124 m_mesh->draw(painter);
125
126 QVector3DArray array;
127 qreal radius = 0.3f;
128 array.append(-radius, -radius, -radius); array.append( radius, -radius, -radius);
129 array.append( radius, -radius, -radius); array.append( radius, radius, -radius);
130 array.append( radius, radius, -radius); array.append(-radius, radius, -radius);
131 array.append(-radius, radius, -radius); array.append(-radius, -radius, -radius);
132
133 array.append(-radius, -radius, radius); array.append( radius, -radius, radius);
134 array.append( radius, -radius, radius); array.append( radius, radius, radius);
135 array.append( radius, radius, radius); array.append(-radius, radius, radius);
136 array.append(-radius, radius, radius); array.append(-radius, -radius, radius);
137
138 array.append(-radius, -radius, -radius); array.append(-radius, -radius, radius);
139 array.append( radius, -radius, -radius); array.append( radius, -radius, radius);
140 array.append(-radius, radius, -radius); array.append(-radius, radius, radius);
141 array.append( radius, radius, -radius); array.append( radius, radius, radius);
142 painter->clearAttributes();
143 painter->setVertexAttribute(QGL::Position, array);
144 painter->draw(QGL::Lines, 24);
145
146 // Turn off the user effect, if present.
147 if (m_effect)
148 painter->setStandardEffect(QGL::LitMaterial);
149
150 // Revert to the previous object identifier.
151 painter->setObjectPickId(prevObjectId);
152
153 // Restore the modelview matrix.
154 painter->modelViewMatrix().pop();
155}
156
157bool GLMoleculeObject::event(QEvent *e)
158{
159 // Convert the raw event into a signal representing the user's action.
160 if (e->type() == QEvent::MouseButtonPress) {
161 QMouseEvent *me = (QMouseEvent *)e;
162 if (me->button() == Qt::LeftButton)
163 emit pressed();
164 } else if (e->type() == QEvent::MouseButtonRelease) {
165 QMouseEvent *me = (QMouseEvent *)e;
166 if (me->button() == Qt::LeftButton) {
167 emit released();
168 if (me->x() >= 0) // Positive: inside object, Negative: outside.
169 emit clicked();
170 }
171 } else if (e->type() == QEvent::MouseButtonDblClick) {
172 emit doubleClicked();
173 } else if (e->type() == QEvent::Enter) {
174 m_hovering = true;
175 emit hoverChanged();
176 } else if (e->type() == QEvent::Leave) {
177 m_hovering = false;
178 emit hoverChanged();
179 }
180 return QObject::event(e);
181}
182
183/** Returns the ref to the Material for element No \a from the map.
184 *
185 * \note We create a new one if the element is missing.
186 *
187 * @param no element no
188 * @return ref to QGLMaterial
189 */
190QGLMaterial* GLMoleculeObject::getMaterial(size_t no)
191{
192 ASSERT( (no >= 0) && (no < MAX_ELEMENTS) || (no == 65536),
193 "GLMoleculeView::getMaterial() - Element no "+toString(no)+" is invalid.");
194 if (ElementNoMaterialMap.find(no) != ElementNoMaterialMap.end()){
195 // get present one
196 return ElementNoMaterialMap[no];
197 } else {
198 // create new one
199 LOG(1, "Creating new material for element "+toString(no)+".");
200 QGLMaterial *newmaterial = new QGLMaterial(NULL);
201
202 if (no == 0) { // create hover material
203 newmaterial->setAmbientColor( QColor(0, 128, 128) );
204 } else if (no == 65536) { // create selection material
205 newmaterial->setAmbientColor( QColor(200, 200, 200) );
206 } else { // create material for element
207 periodentafel *periode = World::getInstance().getPeriode();
208 const element *desiredelement = periode->FindElement(no);
209 ASSERT(desiredelement != NULL,
210 "GLMoleculeView::getMaterial() - desired element "+toString(no)+" not present in periodentafel.");
211 const unsigned char* color = desiredelement->getColor();
212 LOG(1, "Creating new material with color " << (int)color[0] << "," << (int)color[1] << "," << (int)color[2] << ".");
213 newmaterial->setAmbientColor( QColor((int)color[0], (int)color[1], (int)color[2]) );
214 }
215 newmaterial->setSpecularColor( QColor(60, 60, 60) );
216 newmaterial->setShininess( 128 );
217 ElementNoMaterialMap.insert( make_pair(no, newmaterial) );
218
219 return newmaterial;
220 }
221}
222
223/** Static function to be called when Materials have to be removed.
224 *
225 */
226void GLMoleculeObject::cleanMaterialMap()
227{
228 for (ElementMaterialMap::iterator iter = ElementNoMaterialMap.begin();
229 !ElementNoMaterialMap.empty();
230 iter = ElementNoMaterialMap.begin()) {
231 delete iter->second;
232 ElementNoMaterialMap.erase(iter);
233 }
234}
Note: See TracBrowser for help on using the repository browser.