source: src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp@ 859a00

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 Candidate_v1.7.0 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 859a00 was 6966b7, checked in by Michael Ankele <ankele@…>, 13 years ago

GLWorldScene: added selection mode (atom/molecule)

  • this controls whether atoms or molecules will get selected by clicking on an atom
  • Property mode set to 100644
File size: 10.8 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 "Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp"
41#include "Actions/SelectionAction/Molecules/NotMoleculeByIdAction.hpp"
42#include "Atom/atom.hpp"
43#include "Bond/bond.hpp"
44#include "Descriptors/AtomIdDescriptor.hpp"
45#include "Helpers/helpers.hpp"
46#include "molecule.hpp"
47#include "World.hpp"
48
49#include <iostream>
50
51using namespace MoleCuilder;
52
53std::ostream &operator<<(std::ostream &ost, const GLWorldScene::BondIds &t)
54{
55 ost << t.first << "," << t.second;
56 return ost;
57}
58
59GLWorldScene::GLWorldScene(QObject *parent)
60 : QObject(parent)
61{
62 QGLBuilder builder0;
63 meshEmpty = builder0.finalizedSceneNode();
64 QGLBuilder builder1;
65 builder1 << QGLSphere(2.0, 5);
66 meshSphereHi = builder1.finalizedSceneNode();
67 QGLBuilder builder2;
68 builder2 << QGLSphere(2.0, 1);
69 meshSphereLo = builder2.finalizedSceneNode();
70 QGLBuilder builder3;
71 builder3 << QGLCylinder(.25,.25,1.0,16);
72 meshCylinderHi = builder3.finalizedSceneNode();
73 QGLBuilder builder4;
74 builder4 << QGLCylinder(.25,.25,1.0,16);
75 meshCylinderLo = builder4.finalizedSceneNode();
76
77 meshSphereHi->setOption(QGLSceneNode::CullBoundingBox, true);
78 meshSphereLo->setOption(QGLSceneNode::CullBoundingBox, true);
79 meshCylinderHi->setOption(QGLSceneNode::CullBoundingBox, true);
80 meshCylinderLo->setOption(QGLSceneNode::CullBoundingBox, true);
81
82 setSelectionMode(SelectAtom);
83
84 init();
85}
86
87GLWorldScene::~GLWorldScene()
88{
89 // remove all elements
90 GLMoleculeObject::cleanMaterialMap();
91}
92
93/** Initialise the WorldScene with molecules and atoms from World.
94 *
95 */
96void GLWorldScene::init()
97{
98 const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
99
100 if (molecules.size() > 0) {
101 for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
102 Runner != molecules.end();
103 Runner++) {
104
105 for (molecule::const_iterator atomiter = (*Runner)->begin();
106 atomiter != (*Runner)->end();
107 ++atomiter) {
108 // create atom objects in scene
109 atomInserted(*atomiter);
110
111 // create bond objects in scene
112 const BondList &bondlist = (*atomiter)->getListOfBonds();
113 for (BondList::const_iterator bonditer = bondlist.begin();
114 bonditer != bondlist.end();
115 ++bonditer) {
116 const bond *_bond = *bonditer;
117 const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == *atomiter) ?
118 GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
119 bondInserted(_bond, side);
120 }
121 }
122 }
123 }
124}
125
126/** Adds an atom to the scene.
127 *
128 * @param _atom atom to add
129 */
130void GLWorldScene::atomInserted(const atom *_atom)
131{
132 LOG(3, "INFO: GLWorldScene: Received signal atomInserted for atom "+toString(_atom->getId())+".");
133 GLMoleculeObject_atom *atomObject = new GLMoleculeObject_atom(meshSphereHi, this, _atom);
134 AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
135 ASSERT(iter == AtomsinSceneMap.end(),
136 "GLWorldScene::atomAdded() - same atom "+_atom->getName()+" added again.");
137 AtomsinSceneMap.insert( make_pair(_atom->getId(), atomObject) );
138 connect (atomObject, SIGNAL(clicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
139 connect (atomObject, SIGNAL(changed()), this, SIGNAL(changed()));
140 connect (atomObject, SIGNAL(hoverChanged()), this, SIGNAL(changed()));
141 connect (atomObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
142 connect (atomObject, SIGNAL(BondsInserted(const bond *, const GLMoleculeObject_bond::SideOfBond)), this, SLOT(bondInserted(const bond *, const GLMoleculeObject_bond::SideOfBond)));
143 //bondsChanged(_atom);
144 emit changeOccured();
145}
146
147/** Removes an atom from the scene.
148 *
149 * @param _atom atom to remove
150 */
151void GLWorldScene::atomRemoved(const atom *_atom)
152{
153 LOG(3, "INFO: GLWorldScene: Received signal atomRemoved for atom "+toString(_atom->getId())+".");
154 // bonds are removed by signal coming from ~bond
155 // remove atoms
156 AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
157 ASSERT(iter != AtomsinSceneMap.end(),
158 "GLWorldScene::atomRemoved() - atom "+_atom->getName()+" not on display.");
159 GLMoleculeObject_atom *atomObject = iter->second;
160 atomObject->disconnect();
161 AtomsinSceneMap.erase(iter);
162 delete atomObject;
163 emit changeOccured();
164}
165
166/** ....
167 *
168 */
169void GLWorldScene::worldSelectionChanged()
170{
171 LOG(3, "INFO: GLWorldScene: Received signal selectionChanged.");
172
173 const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
174
175 if (molecules.size() > 0) {
176 for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
177 Runner != molecules.end();
178 Runner++) {
179
180 MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find((*Runner)->getId());
181 bool isSelected = World::getInstance().isSelected(*Runner);
182
183 // molecule selected but not in scene?
184 if (isSelected && (iter == MoleculesinSceneMap.end())){
185 // -> create new mesh
186 GLMoleculeObject_molecule *molObject = new GLMoleculeObject_molecule(meshEmpty, this, *Runner);
187 MoleculesinSceneMap.insert( make_pair((*Runner)->getId(), molObject) );
188 connect (molObject, SIGNAL(changed()), this, SIGNAL(changed()));
189 connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
190 connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
191 emit changed();
192 emit changeOccured();
193 }
194
195 // molecule not selected but in scene?
196 if (!isSelected && (iter != MoleculesinSceneMap.end())){
197 // -> remove from scene
198 moleculeRemoved(*Runner);
199 }
200
201 }
202 }
203}
204
205/** Removes a molecule from the scene.
206 *
207 * @param _molecule molecule to remove
208 */
209void GLWorldScene::moleculeRemoved(const molecule *_molecule)
210{
211 LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_molecule->getId())+".");
212 MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_molecule->getId());
213
214 // only remove if the molecule is in the scene
215 // (= is selected)
216 if (iter != MoleculesinSceneMap.end()){
217 GLMoleculeObject_molecule *molObject = iter->second;
218 molObject->disconnect();
219 MoleculesinSceneMap.erase(iter);
220 delete molObject;
221 emit changed();
222 emit changeOccured();
223 }
224}
225
226/** Adds a bond to the scene.
227 *
228 * @param _bond bond to add
229 * @param side which side of the bond (left or right)
230 */
231void GLWorldScene::bondInserted(const bond *_bond, const enum GLMoleculeObject_bond::SideOfBond side)
232{
233 LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
234 //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
235
236 BondIds ids;
237 switch (side) {
238 case GLMoleculeObject_bond::left:
239 ids = std::make_pair(_bond->leftatom->getId(), _bond->rightatom->getId());
240 break;
241 case GLMoleculeObject_bond::right:
242 ids = std::make_pair(_bond->rightatom->getId(), _bond->leftatom->getId());
243 break;
244 }
245#ifndef NDEBUG
246 BondNodeMap::iterator iter = BondsinSceneMap.find(ids);
247 ASSERT(iter == BondsinSceneMap.end(),
248 "GLWorldScene::bondAdded() - same left-sided bond "+toString(*_bond)+" added again.");
249#endif
250 GLMoleculeObject_bond *bondObject =
251 new GLMoleculeObject_bond(meshCylinderHi, this, _bond, side);
252 connect (
253 bondObject, SIGNAL(BondRemoved(const atomId_t, const atomId_t)),
254 this, SLOT(bondRemoved(const atomId_t, const atomId_t)));
255 connect (bondObject, SIGNAL(changed()), this, SIGNAL(changed()));
256 BondsinSceneMap.insert( make_pair(ids, bondObject) );
257// BondIdsinSceneMap.insert( Leftids );
258 emit changeOccured();
259}
260
261/** Removes a bond from the scene.
262 *
263 * @param _bond bond to remove
264 */
265void GLWorldScene::bondRemoved(const atomId_t leftnr, const atomId_t rightnr)
266{
267 LOG(3, "INFO: GLWorldScene::bondRemoved() - Removing bond between "+toString(leftnr)+" and "+toString(rightnr)+".");
268 {
269 // left bond
270 const BondIds Leftids( make_pair(leftnr, rightnr) );
271 BondNodeMap::iterator leftiter = BondsinSceneMap.find( Leftids );
272 ASSERT(leftiter != BondsinSceneMap.end(),
273 "GLWorldScene::bondRemoved() - bond "+toString(leftnr)+"-"
274 +toString(rightnr)+" not on display.");
275 //GLMoleculeObject_bond *bondObject = leftiter->second;
276 BondsinSceneMap.erase(leftiter);
277 //delete bondObject; // is done by signal from bond itself
278 //LOG(4, "INFO: Still present bonds " << BondsinSceneMap << ".");
279 }
280
281 emit changeOccured();
282}
283
284void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
285{
286 // Initialize all of the mesh objects that we have as children.
287 foreach (QObject *obj, children()) {
288 GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
289 if (meshobj)
290 meshobj->initialize(view, painter);
291 }
292}
293
294void GLWorldScene::draw(QGLPainter *painter) const
295{
296 // Draw all of the mesh objects that we have as children.
297 foreach (QObject *obj, children()) {
298 GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
299 if (meshobj)
300 meshobj->draw(painter);
301 }
302}
303
304void GLWorldScene::atomClicked(atomId_t no)
305{
306 LOG(3, "INFO: GLWorldScene - atom " << no << " has been clicked.");
307 const atom *Walker = World::getInstance().getAtom(AtomById(no));
308 if (selectionMode == SelectAtom){
309 if (!World::getInstance().isSelected(Walker))
310 SelectionAtomById(no);
311 else
312 SelectionNotAtomById(no);
313 }else if (selectionMode == SelectMolecule){
314 const molecule *mol = Walker->getMolecule();
315 ASSERT(mol, "Atom without molecule has been clicked.");
316 if (!World::getInstance().isSelected(mol))
317 SelectionMoleculeById(mol->getId());
318 else
319 SelectionNotMoleculeById(mol->getId());
320 }
321 emit clicked(no);
322}
323
324void GLWorldScene::setSelectionMode(SelectionModeType mode)
325{
326 selectionMode = mode;
327 // TODO send update to toolbar
328}
329
330void GLWorldScene::setSelectionModeAtom()
331{
332 setSelectionMode(SelectAtom);
333}
334
335void GLWorldScene::setSelectionModeMolecule()
336{
337 setSelectionMode(SelectMolecule);
338}
339
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