source: src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp@ 0a6ff9

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 0a6ff9 was 0a6ff9, checked in by Michael Ankele <ankele@…>, 13 years ago

GL: culling enabled

  • only draws the atoms which are in the camera "frustrum"
  • Property mode set to 100644
File size: 10.0 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 * GLWorldScene.cpp
10 *
11 * This is based on the Qt3D example "teaservice", specifically parts of teaservice.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 "GLWorldScene.hpp"
23#include <Qt3D/qglview.h>
24#include <Qt3D/qglbuilder.h>
25#include <Qt3D/qglscenenode.h>
26#include <Qt3D/qglsphere.h>
27#include <Qt3D/qglcylinder.h>
28
29#include "GLMoleculeObject.hpp"
30#include "GLMoleculeObject_atom.hpp"
31#include "GLMoleculeObject_bond.hpp"
32#include "GLMoleculeObject_molecule.hpp"
33
34#include "CodePatterns/MemDebug.hpp"
35
36#include "CodePatterns/Log.hpp"
37
38#include "Actions/SelectionAction/Atoms/AtomByIdAction.hpp"
39#include "Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp"
40#include "Atom/atom.hpp"
41#include "Bond/bond.hpp"
42#include "Descriptors/AtomIdDescriptor.hpp"
43#include "Helpers/helpers.hpp"
44#include "molecule.hpp"
45#include "World.hpp"
46
47#include <iostream>
48
49using namespace MoleCuilder;
50
51std::ostream &operator<<(std::ostream &ost, const GLWorldScene::BondIds &t)
52{
53 ost << t.first << "," << t.second;
54 return ost;
55}
56
57GLWorldScene::GLWorldScene(QObject *parent)
58 : QObject(parent)
59{
60 QGLBuilder builder0;
61 meshEmpty = builder0.finalizedSceneNode();
62 QGLBuilder builder1;
63 builder1 << QGLSphere(2.0, 5);
64 meshSphereHi = builder1.finalizedSceneNode();
65 QGLBuilder builder2;
66 builder2 << QGLSphere(2.0, 1);
67 meshSphereLo = builder2.finalizedSceneNode();
68 QGLBuilder builder3;
69 builder3 << QGLCylinder(.25,.25,1.0,16);
70 meshCylinderHi = builder3.finalizedSceneNode();
71 QGLBuilder builder4;
72 builder4 << QGLCylinder(.25,.25,1.0,16);
73 meshCylinderLo = builder4.finalizedSceneNode();
74
75 meshSphereHi->setOption(QGLSceneNode::CullBoundingBox, true);
76 meshSphereLo->setOption(QGLSceneNode::CullBoundingBox, true);
77 meshCylinderHi->setOption(QGLSceneNode::CullBoundingBox, true);
78 meshCylinderLo->setOption(QGLSceneNode::CullBoundingBox, true);
79
80 init();
81}
82
83GLWorldScene::~GLWorldScene()
84{
85 // remove all elements
86 GLMoleculeObject::cleanMaterialMap();
87}
88
89/** Initialise the WorldScene with molecules and atoms from World.
90 *
91 */
92void GLWorldScene::init()
93{
94 const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
95
96 if (molecules.size() > 0) {
97 for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
98 Runner != molecules.end();
99 Runner++) {
100
101 for (molecule::const_iterator atomiter = (*Runner)->begin();
102 atomiter != (*Runner)->end();
103 ++atomiter) {
104 // create atom objects in scene
105 atomInserted(*atomiter);
106
107 // create bond objects in scene
108 const BondList &bondlist = (*atomiter)->getListOfBonds();
109 for (BondList::const_iterator bonditer = bondlist.begin();
110 bonditer != bondlist.end();
111 ++bonditer) {
112 const bond *_bond = *bonditer;
113 const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == *atomiter) ?
114 GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
115 bondInserted(_bond, side);
116 }
117 }
118 }
119 }
120}
121
122/** Adds an atom to the scene.
123 *
124 * @param _atom atom to add
125 */
126void GLWorldScene::atomInserted(const atom *_atom)
127{
128 LOG(3, "INFO: GLWorldScene: Received signal atomInserted for atom "+toString(_atom->getId())+".");
129 GLMoleculeObject_atom *atomObject = new GLMoleculeObject_atom(meshSphereHi, this, _atom);
130 AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
131 ASSERT(iter == AtomsinSceneMap.end(),
132 "GLWorldScene::atomAdded() - same atom "+_atom->getName()+" added again.");
133 AtomsinSceneMap.insert( make_pair(_atom->getId(), atomObject) );
134 connect (atomObject, SIGNAL(clicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
135 connect (atomObject, SIGNAL(changed()), this, SIGNAL(changed()));
136 connect (atomObject, SIGNAL(hoverChanged()), this, SIGNAL(changed()));
137 connect (atomObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
138 connect (atomObject, SIGNAL(BondsInserted(const bond *, const GLMoleculeObject_bond::SideOfBond)), this, SLOT(bondInserted(const bond *, const GLMoleculeObject_bond::SideOfBond)));
139 //bondsChanged(_atom);
140 emit changeOccured();
141}
142
143/** Removes an atom from the scene.
144 *
145 * @param _atom atom to remove
146 */
147void GLWorldScene::atomRemoved(const atom *_atom)
148{
149 LOG(3, "INFO: GLWorldScene: Received signal atomRemoved for atom "+toString(_atom->getId())+".");
150 // bonds are removed by signal coming from ~bond
151 // remove atoms
152 AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
153 ASSERT(iter != AtomsinSceneMap.end(),
154 "GLWorldScene::atomRemoved() - atom "+_atom->getName()+" not on display.");
155 GLMoleculeObject_atom *atomObject = iter->second;
156 atomObject->disconnect();
157 AtomsinSceneMap.erase(iter);
158 delete atomObject;
159 emit changeOccured();
160}
161
162/** ....
163 *
164 */
165void GLWorldScene::worldSelectionChanged()
166{
167 LOG(3, "INFO: GLWorldScene: Received signal selectionChanged.");
168
169 const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
170
171 if (molecules.size() > 0) {
172 for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
173 Runner != molecules.end();
174 Runner++) {
175
176 MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find((*Runner)->getId());
177 bool isSelected = World::getInstance().isSelected(*Runner);
178
179 // molecule selected but not in scene?
180 if (isSelected && (iter == MoleculesinSceneMap.end())){
181 // -> create new mesh
182 GLMoleculeObject_molecule *molObject = new GLMoleculeObject_molecule(meshEmpty, this, *Runner);
183 MoleculesinSceneMap.insert( make_pair((*Runner)->getId(), molObject) );
184 connect (molObject, SIGNAL(changed()), this, SIGNAL(changed()));
185 connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
186 connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
187 emit changed();
188 emit changeOccured();
189 }
190
191 // molecule not selected but in scene?
192 if (!isSelected && (iter != MoleculesinSceneMap.end())){
193 // -> remove from scene
194 moleculeRemoved(*Runner);
195 }
196
197 }
198 }
199}
200
201/** Removes a molecule from the scene.
202 *
203 * @param _molecule molecule to remove
204 */
205void GLWorldScene::moleculeRemoved(const molecule *_molecule)
206{
207 LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_molecule->getId())+".");
208 MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_molecule->getId());
209
210 // only remove if the molecule is in the scene
211 // (= is selected)
212 if (iter != MoleculesinSceneMap.end()){
213 GLMoleculeObject_molecule *molObject = iter->second;
214 molObject->disconnect();
215 MoleculesinSceneMap.erase(iter);
216 delete molObject;
217 emit changed();
218 emit changeOccured();
219 }
220}
221
222/** Adds a bond to the scene.
223 *
224 * @param _bond bond to add
225 * @param side which side of the bond (left or right)
226 */
227void GLWorldScene::bondInserted(const bond *_bond, const enum GLMoleculeObject_bond::SideOfBond side)
228{
229 LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
230 //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
231
232 BondIds ids;
233 switch (side) {
234 case GLMoleculeObject_bond::left:
235 ids = std::make_pair(_bond->leftatom->getId(), _bond->rightatom->getId());
236 break;
237 case GLMoleculeObject_bond::right:
238 ids = std::make_pair(_bond->rightatom->getId(), _bond->leftatom->getId());
239 break;
240 }
241#ifndef NDEBUG
242 BondNodeMap::iterator iter = BondsinSceneMap.find(ids);
243 ASSERT(iter == BondsinSceneMap.end(),
244 "GLWorldScene::bondAdded() - same left-sided bond "+toString(*_bond)+" added again.");
245#endif
246 GLMoleculeObject_bond *bondObject =
247 new GLMoleculeObject_bond(meshCylinderHi, this, _bond, side);
248 connect (
249 bondObject, SIGNAL(BondRemoved(const atomId_t, const atomId_t)),
250 this, SLOT(bondRemoved(const atomId_t, const atomId_t)));
251 connect (bondObject, SIGNAL(changed()), this, SIGNAL(changed()));
252 BondsinSceneMap.insert( make_pair(ids, bondObject) );
253// BondIdsinSceneMap.insert( Leftids );
254 emit changeOccured();
255}
256
257/** Removes a bond from the scene.
258 *
259 * @param _bond bond to remove
260 */
261void GLWorldScene::bondRemoved(const atomId_t leftnr, const atomId_t rightnr)
262{
263 LOG(3, "INFO: GLWorldScene::bondRemoved() - Removing bond between "+toString(leftnr)+" and "+toString(rightnr)+".");
264 {
265 // left bond
266 const BondIds Leftids( make_pair(leftnr, rightnr) );
267 BondNodeMap::iterator leftiter = BondsinSceneMap.find( Leftids );
268 ASSERT(leftiter != BondsinSceneMap.end(),
269 "GLWorldScene::bondRemoved() - bond "+toString(leftnr)+"-"
270 +toString(rightnr)+" not on display.");
271 //GLMoleculeObject_bond *bondObject = leftiter->second;
272 BondsinSceneMap.erase(leftiter);
273 //delete bondObject; // is done by signal from bond itself
274 //LOG(4, "INFO: Still present bonds " << BondsinSceneMap << ".");
275 }
276
277 emit changeOccured();
278}
279
280void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
281{
282 // Initialize all of the mesh objects that we have as children.
283 foreach (QObject *obj, children()) {
284 GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
285 if (meshobj)
286 meshobj->initialize(view, painter);
287 }
288}
289
290void GLWorldScene::draw(QGLPainter *painter) const
291{
292 // Draw all of the mesh objects that we have as children.
293 foreach (QObject *obj, children()) {
294 GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
295 if (meshobj)
296 meshobj->draw(painter);
297 }
298}
299
300void GLWorldScene::atomClicked(atomId_t no)
301{
302 LOG(3, "INFO: GLWorldScene - atom " << no << " has been clicked.");
303 const atom *Walker = World::getInstance().getAtom(AtomById(no));
304 if (!World::getInstance().isSelected(Walker))
305 SelectionAtomById(no);
306 else
307 SelectionNotAtomById(no);
308 emit clicked(no);
309}
310
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