source: src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp@ d1196d

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 d1196d was d1196d, checked in by Michael Ankele <ankele@…>, 13 years ago

GL: added a 3-bein to the origin of rotation

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[907636]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
[0aa122]4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
[907636]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"
[d1196d]23#include <Qt3D/qglview.h>
[907636]24
25#include "GLMoleculeObject.hpp"
[7188b1]26#include "GLMoleculeObject_atom.hpp"
27#include "GLMoleculeObject_bond.hpp"
[c67518]28#include "GLMoleculeObject_molecule.hpp"
[907636]29
30#include "CodePatterns/MemDebug.hpp"
31
[7188b1]32#include "CodePatterns/Log.hpp"
33
[0e9ffe]34#include "Actions/SelectionAction/Atoms/AtomByIdAction.hpp"
[89643d]35#include "Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp"
[6f0841]36#include "Atom/atom.hpp"
[7188b1]37#include "Bond/bond.hpp"
[89643d]38#include "Descriptors/AtomIdDescriptor.hpp"
[37b2575]39#include "Helpers/helpers.hpp"
[907636]40#include "molecule.hpp"
41#include "World.hpp"
42
[2ad1ec]43#include <iostream>
44
[ce7fdc]45using namespace MoleCuilder;
[907636]46
[2ad1ec]47std::ostream &operator<<(std::ostream &ost, const GLWorldScene::BondIds &t)
48{
49 ost << t.first << "," << t.second;
50 return ost;
51}
52
[907636]53GLWorldScene::GLWorldScene(QObject *parent)
54 : QObject(parent)
55{
56 init();
57
58 //changeMaterials(false);
[45ea59]59 domainBoxMaterial = new QGLMaterial;
60 domainBoxMaterial->setAmbientColor(QColor(0,0,0,255));
61 domainBoxMaterial->setDiffuseColor(QColor(0,0,0,255));
62 domainBoxMaterial->setEmittedLight(QColor(150,160,200,255));
[d1196d]63
64 dreiBeinMaterial = new QGLMaterial;
65 dreiBeinMaterial->setAmbientColor(QColor(0,0,0,255));
66 dreiBeinMaterial->setDiffuseColor(QColor(0,0,0,255));
67 dreiBeinMaterial->setEmittedLight(QColor(150,200,150,255));
[907636]68}
69
70GLWorldScene::~GLWorldScene()
[7188b1]71{
72 // remove all elements
73 GLMoleculeObject::cleanMaterialMap();
[45ea59]74
75 delete(domainBoxMaterial);
[d1196d]76 delete(dreiBeinMaterial);
[7188b1]77}
[907636]78
79/** Initialise the WorldScene with molecules and atoms from World.
80 *
81 */
82void GLWorldScene::init()
83{
84 const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
85
86 if (molecules.size() > 0) {
87 for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
88 Runner != molecules.end();
89 Runner++) {
[c67518]90
[7188b1]91 for (molecule::const_iterator atomiter = (*Runner)->begin();
92 atomiter != (*Runner)->end();
93 ++atomiter) {
94 // create atom objects in scene
95 atomInserted(*atomiter);
96
[9c18e4]97 // create bond objects in scene
[2ad1ec]98 const BondList &bondlist = (*atomiter)->getListOfBonds();
99 for (BondList::const_iterator bonditer = bondlist.begin();
100 bonditer != bondlist.end();
101 ++bonditer) {
102 const bond *_bond = *bonditer;
103 const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == *atomiter) ?
104 GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
105 bondInserted(_bond, side);
106 }
[7188b1]107 }
[907636]108 }
109 }
110}
111
[7188b1]112/** Adds an atom to the scene.
113 *
114 * @param _atom atom to add
115 */
116void GLWorldScene::atomInserted(const atom *_atom)
[907636]117{
[57a770]118 LOG(3, "INFO: GLWorldScene: Received signal atomInserted for atom "+toString(_atom->getId())+".");
[7188b1]119 GLMoleculeObject_atom *atomObject = new GLMoleculeObject_atom(this, _atom);
[37b2575]120 AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
121 ASSERT(iter == AtomsinSceneMap.end(),
[7188b1]122 "GLWorldScene::atomAdded() - same atom "+_atom->getName()+" added again.");
[37b2575]123 AtomsinSceneMap.insert( make_pair(_atom->getId(), atomObject) );
[7188b1]124 connect (atomObject, SIGNAL(clicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
[5a2a06]125 connect (atomObject, SIGNAL(changed()), this, SIGNAL(changed()));
[a099d3]126 connect (atomObject, SIGNAL(hoverChanged()), this, SIGNAL(changed()));
[5a2a06]127 connect (atomObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
[2ad1ec]128 connect (atomObject, SIGNAL(BondsInserted(const bond *, const GLMoleculeObject_bond::SideOfBond)), this, SLOT(bondInserted(const bond *, const GLMoleculeObject_bond::SideOfBond)));
129 //bondsChanged(_atom);
[65487f]130 emit changeOccured();
[7188b1]131}
132
133/** Removes an atom from the scene.
134 *
135 * @param _atom atom to remove
136 */
137void GLWorldScene::atomRemoved(const atom *_atom)
138{
[57a770]139 LOG(3, "INFO: GLWorldScene: Received signal atomRemoved for atom "+toString(_atom->getId())+".");
[2ad1ec]140 // bonds are removed by signal coming from ~bond
[7188b1]141 // remove atoms
[37b2575]142 AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
143 ASSERT(iter != AtomsinSceneMap.end(),
[7188b1]144 "GLWorldScene::atomRemoved() - atom "+_atom->getName()+" not on display.");
145 GLMoleculeObject_atom *atomObject = iter->second;
146 atomObject->disconnect();
[37b2575]147 AtomsinSceneMap.erase(iter);
[7188b1]148 delete atomObject;
[65487f]149 emit changeOccured();
[907636]150}
151
[3927ef]152/** ....
[c67518]153 *
154 */
[3927ef]155void GLWorldScene::worldSelectionChanged()
[c67518]156{
[3927ef]157 LOG(3, "INFO: GLWorldScene: Received signal selectionChanged.");
158
159 const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
160
161 if (molecules.size() > 0) {
162 for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
163 Runner != molecules.end();
164 Runner++) {
165
166 MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find((*Runner)->getId());
167 bool isSelected = World::getInstance().isSelected(*Runner);
168
169 // molecule selected but not in scene?
170 if (isSelected && (iter == MoleculesinSceneMap.end())){
171 // -> create new mesh
172 GLMoleculeObject_molecule *molObject = new GLMoleculeObject_molecule(this, *Runner);
173 MoleculesinSceneMap.insert( make_pair((*Runner)->getId(), molObject) );
174 connect (molObject, SIGNAL(changed()), this, SIGNAL(changed()));
175 connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
176 connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
177 emit changed();
178 emit changeOccured();
179 }
180
181 // molecule not selected but in scene?
182 if (!isSelected && (iter != MoleculesinSceneMap.end())){
183 // -> remove from scene
184 moleculeRemoved(*Runner);
185 }
186
187 }
188 }
[c67518]189}
190
191/** Removes a molecule from the scene.
192 *
193 * @param _molecule molecule to remove
194 */
195void GLWorldScene::moleculeRemoved(const molecule *_molecule)
196{
[3927ef]197 LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_molecule->getId())+".");
[c67518]198 MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_molecule->getId());
[3927ef]199
200 // only remove if the molecule is in the scene
201 // (= is selected)
202 if (iter != MoleculesinSceneMap.end()){
203 GLMoleculeObject_molecule *molObject = iter->second;
204 molObject->disconnect();
205 MoleculesinSceneMap.erase(iter);
206 delete molObject;
207 emit changed();
208 emit changeOccured();
209 }
[c67518]210}
211
[37b2575]212/** Adds a bond to the scene.
[7188b1]213 *
214 * @param _bond bond to add
[2ad1ec]215 * @param side which side of the bond (left or right)
[7188b1]216 */
[2ad1ec]217void GLWorldScene::bondInserted(const bond *_bond, const enum GLMoleculeObject_bond::SideOfBond side)
[7188b1]218{
[57a770]219 LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
[2ad1ec]220 //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
221
222 BondIds ids;
223 switch (side) {
224 case GLMoleculeObject_bond::left:
225 ids = std::make_pair(_bond->leftatom->getId(), _bond->rightatom->getId());
226 break;
227 case GLMoleculeObject_bond::right:
228 ids = std::make_pair(_bond->rightatom->getId(), _bond->leftatom->getId());
229 break;
[7188b1]230 }
[2ad1ec]231#ifndef NDEBUG
232 BondNodeMap::iterator iter = BondsinSceneMap.find(ids);
233 ASSERT(iter == BondsinSceneMap.end(),
234 "GLWorldScene::bondAdded() - same left-sided bond "+toString(*_bond)+" added again.");
235#endif
236 GLMoleculeObject_bond *bondObject =
[fbb1f1]237 new GLMoleculeObject_bond(this, _bond, side);
[2ad1ec]238 connect (
239 bondObject, SIGNAL(BondRemoved(const atomId_t, const atomId_t)),
240 this, SLOT(bondRemoved(const atomId_t, const atomId_t)));
[5a2a06]241 connect (bondObject, SIGNAL(changed()), this, SIGNAL(changed()));
[2ad1ec]242 BondsinSceneMap.insert( make_pair(ids, bondObject) );
243// BondIdsinSceneMap.insert( Leftids );
[65487f]244 emit changeOccured();
[7188b1]245}
[907636]246
[37b2575]247/** Removes a bond from the scene.
[7188b1]248 *
249 * @param _bond bond to remove
250 */
[37b2575]251void GLWorldScene::bondRemoved(const atomId_t leftnr, const atomId_t rightnr)
[907636]252{
[2ad1ec]253 LOG(3, "INFO: GLWorldScene::bondRemoved() - Removing bond between "+toString(leftnr)+" and "+toString(rightnr)+".");
[7188b1]254 {
255 // left bond
[37b2575]256 const BondIds Leftids( make_pair(leftnr, rightnr) );
257 BondNodeMap::iterator leftiter = BondsinSceneMap.find( Leftids );
258 ASSERT(leftiter != BondsinSceneMap.end(),
259 "GLWorldScene::bondRemoved() - bond "+toString(leftnr)+"-"
260 +toString(rightnr)+" not on display.");
[2ad1ec]261 //GLMoleculeObject_bond *bondObject = leftiter->second;
[37b2575]262 BondsinSceneMap.erase(leftiter);
[2ad1ec]263 //delete bondObject; // is done by signal from bond itself
264 //LOG(4, "INFO: Still present bonds " << BondsinSceneMap << ".");
[7188b1]265 }
[2ad1ec]266
[65487f]267 emit changeOccured();
[7188b1]268}
269
270void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
271{
272 // Initialize all of the mesh objects that we have as children.
273 foreach (QObject *obj, children()) {
274 GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
275 if (meshobj)
276 meshobj->initialize(view, painter);
277 }
278}
279
[45ea59]280void GLWorldScene::drawDomainBox(QGLPainter *painter) const
281{
282 RealSpaceMatrix m = World::getInstance().getDomain().getM();
283 painter->modelViewMatrix().push();
284 painter->modelViewMatrix() *= QMatrix4x4(m.at(0,0), m.at(0,1), m.at(0,2), 0.0,
285 m.at(1,0), m.at(1,1), m.at(1,2), 0.0,
286 m.at(2,0), m.at(2,1), m.at(2,2), 0.0,
287 0.0, 0.0, 0.0, 1.0);
288
289 painter->setFaceMaterial(QGL::AllFaces, domainBoxMaterial);
290 //glEnable(GL_LINE_SMOOTH);
291 QVector3DArray array;
292 array.append(0, 0, 0); array.append(1, 0, 0);
293 array.append(1, 0, 0); array.append(1, 1, 0);
294 array.append(1, 1, 0); array.append(0, 1, 0);
295 array.append(0, 1, 0); array.append(0, 0, 0);
296
297 array.append(0, 0, 1); array.append(1, 0, 1);
298 array.append(1, 0, 1); array.append(1, 1, 1);
299 array.append(1, 1, 1); array.append(0, 1, 1);
300 array.append(0, 1, 1); array.append(0, 0, 1);
301
302 array.append(0, 0, 0); array.append(0, 0, 1);
303 array.append(1, 0, 0); array.append(1, 0, 1);
304 array.append(0, 1, 0); array.append(0, 1, 1);
305 array.append(1, 1, 0); array.append(1, 1, 1);
306 painter->clearAttributes();
307 painter->setVertexAttribute(QGL::Position, array);
308 painter->draw(QGL::Lines, 24);
309 painter->modelViewMatrix().pop();
310}
311
[d1196d]312void GLWorldScene::drawDreiBein(QGLPainter *painter) const
313{
314 QGLView *view = dynamic_cast<QGLView*>(this->parent());
315 painter->modelViewMatrix().push();
316 painter->modelViewMatrix().translate(view->camera()->center());
317 painter->setFaceMaterial(QGL::AllFaces, dreiBeinMaterial);
318 QVector3DArray array;
319 array.append(0, 0, 0); array.append(1, 0, 0);
320 array.append(0, 0, 0); array.append(0, 1, 0);
321 array.append(0, 0, 0); array.append(0, 0, 1);
322 painter->clearAttributes();
323 painter->setVertexAttribute(QGL::Position, array);
324 painter->draw(QGL::Lines, 6);
325 painter->modelViewMatrix().pop();
326}
327
[7188b1]328void GLWorldScene::draw(QGLPainter *painter) const
329{
330 // Draw all of the mesh objects that we have as children.
331 foreach (QObject *obj, children()) {
332 GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
333 if (meshobj)
334 meshobj->draw(painter);
335 }
[45ea59]336
337 drawDomainBox(painter);
[d1196d]338 drawDreiBein(painter);
[907636]339}
[06ebf5]340
[7188b1]341void GLWorldScene::atomClicked(atomId_t no)
[907636]342{
[57a770]343 LOG(3, "INFO: GLWorldScene - atom " << no << " has been clicked.");
[89643d]344 const atom *Walker = World::getInstance().getAtom(AtomById(no));
345 if (!World::getInstance().isSelected(Walker))
[0e9ffe]346 SelectionAtomById(no);
[89643d]347 else
348 SelectionNotAtomById(no);
[7188b1]349 emit clicked(no);
[907636]350}
[029bb4]351
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