source: src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp@ d619338

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 d619338 was d619338, checked in by Frederik Heber <heber@…>, 9 years ago

Removed lots of code in GLWorldScene that now resides in GLMoleculeObject_molecule.

  • atoms and their bonds are now controlled by the latter.
  • Property mode set to 100644
File size: 11.2 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 * Copyright (C) 2013 Frederik Heber. All rights reserved.
6 *
7 *
8 * This file is part of MoleCuilder.
9 *
10 * MoleCuilder is free software: you can redistribute it and/or modify
11 * it under the terms of the GNU General Public License as published by
12 * the Free Software Foundation, either version 2 of the License, or
13 * (at your option) any later version.
14 *
15 * MoleCuilder is distributed in the hope that it will be useful,
16 * but WITHOUT ANY WARRANTY; without even the implied warranty of
17 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
18 * GNU General Public License for more details.
19 *
20 * You should have received a copy of the GNU General Public License
21 * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
22 */
23
24/*
25 * GLWorldScene.cpp
26 *
27 * This is based on the Qt3D example "teaservice", specifically parts of teaservice.cpp.
28 *
29 * Created on: Aug 17, 2011
30 * Author: heber
31 */
32
33// include config.h
34#ifdef HAVE_CONFIG_H
35#include <config.h>
36#endif
37
38#include "GLWorldScene.hpp"
39#include <Qt3D/qglview.h>
40#include <Qt3D/qglbuilder.h>
41#include <Qt3D/qglscenenode.h>
42#include <Qt3D/qglsphere.h>
43#include <Qt3D/qglcylinder.h>
44
45#include "GLMoleculeObject.hpp"
46#include "GLMoleculeObject_atom.hpp"
47#include "GLMoleculeObject_bond.hpp"
48#include "GLMoleculeObject_molecule.hpp"
49#include "GLMoleculeObject_shape.hpp"
50
51#include "CodePatterns/MemDebug.hpp"
52
53#include "CodePatterns/Log.hpp"
54
55#include "Actions/SelectionAction/Atoms/AtomByIdAction.hpp"
56#include "Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp"
57#include "Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp"
58#include "Actions/SelectionAction/Molecules/NotMoleculeByIdAction.hpp"
59#include "Atom/atom.hpp"
60#include "Bond/bond.hpp"
61#include "Descriptors/AtomIdDescriptor.hpp"
62#include "Descriptors/MoleculeIdDescriptor.hpp"
63#include "Helpers/helpers.hpp"
64#include "Shapes/ShapeRegistry.hpp"
65#include "molecule.hpp"
66#include "World.hpp"
67
68#include <iostream>
69
70using namespace MoleCuilder;
71
72GLWorldScene::GLWorldScene(QObject *parent)
73 : QObject(parent)
74{
75 int sphereDetails[] = {5, 3, 2, 0};
76 int cylinderDetails[] = {16, 8, 6, 3};
77 for (int i=0;i<GLMoleculeObject::DETAILTYPES_MAX;i++){
78 QGLBuilder emptyBuilder;
79 GLMoleculeObject::meshEmpty[i] = emptyBuilder.finalizedSceneNode();
80 QGLBuilder sphereBuilder;
81 sphereBuilder << QGLSphere(2.0, sphereDetails[i]);
82 GLMoleculeObject::meshSphere[i] = sphereBuilder.finalizedSceneNode();
83 GLMoleculeObject::meshSphere[i]->setOption(QGLSceneNode::CullBoundingBox, true);
84 QGLBuilder cylinderBuilder;
85 cylinderBuilder << QGLCylinder(.25,.25,1.0,cylinderDetails[i]);
86 GLMoleculeObject::meshCylinder[i] = cylinderBuilder.finalizedSceneNode();
87 GLMoleculeObject::meshCylinder[i]->setOption(QGLSceneNode::CullBoundingBox, true);
88 }
89
90 connect(this, SIGNAL(updated()), this, SLOT(update()));
91
92
93 setSelectionMode(SelectAtom);
94
95 init();
96}
97
98GLWorldScene::~GLWorldScene()
99{
100 // remove all elements
101 GLMoleculeObject::cleanMaterialMap();
102}
103
104/** Initialise the WorldScene with molecules and atoms from World.
105 *
106 */
107void GLWorldScene::init()
108{
109 const std::vector<const molecule *> &molecules =
110 const_cast<const World &>(World::getInstance()).getAllMolecules();
111
112 for (std::vector<const molecule*>::const_iterator moliter = molecules.begin();
113 moliter != molecules.end();
114 moliter++) {
115 // create molecule objects in scene
116 moleculeInserted((*moliter)->getId());
117 }
118}
119
120/** Update the WorldScene with molecules and atoms from World.
121 *
122 * This function should be called after e.g. WorldTime::TimeChanged was
123 * received or after another molecule has been loaded.
124 *
125 */
126void GLWorldScene::update()
127{
128 const std::vector<const molecule *> &molecules =
129 const_cast<const World &>(World::getInstance()).getAllMolecules();
130
131 for (std::vector<const molecule*>::const_iterator moliter = molecules.begin();
132 moliter != molecules.end();
133 moliter++) {
134 // check whether molecule already exists
135 const moleculeId_t molid = (*moliter)->getId();
136 const bool mol_present = MoleculesinSceneMap.count(molid);
137 if (!mol_present)
138 moleculeInserted((*moliter)->getId());
139 }
140}
141
142void GLWorldScene::atomClicked(atomId_t no)
143{
144 LOG(3, "INFO: GLMoleculeObject_molecule - atom " << no << " has been clicked.");
145 const atom * const Walker = const_cast<const World &>(World::getInstance()).
146 getAtom(AtomById(no));
147 if (selectionMode == SelectAtom){
148 if (!World::getInstance().isSelected(Walker))
149 SelectionAtomById(std::vector<atomId_t>(1,no));
150 else
151 SelectionNotAtomById(std::vector<atomId_t>(1,no));
152 }else if (selectionMode == SelectMolecule){
153 const molecule *mol = Walker->getMolecule();
154 ASSERT(mol, "Atom without molecule has been clicked.");
155 molids_t ids(1, mol->getId());
156 if (!World::getInstance().isSelected(mol))
157 SelectionMoleculeById(ids);
158 else
159 SelectionNotMoleculeById(ids);
160 }
161 emit clicked(no);
162}
163
164void GLWorldScene::moleculeClicked(moleculeId_t no)
165{
166 LOG(3, "INFO: GLMoleculeObject_molecule - mol " << no << " has been clicked.");
167 const molecule * const mol= const_cast<const World &>(World::getInstance()).
168 getMolecule(MoleculeById(no));
169 ASSERT(mol, "Atom without molecule has been clicked.");
170 molids_t ids(1, mol->getId());
171 if (!World::getInstance().isSelected(mol))
172 SelectionMoleculeById(ids);
173 else
174 SelectionNotMoleculeById(ids);
175 emit clicked(no);
176}
177
178/** ....
179 *
180 */
181void GLWorldScene::worldSelectionChanged()
182{
183 LOG(3, "INFO: GLWorldScene: Received signal selectionChanged.");
184
185 const std::vector<const molecule*> &molecules =
186 const_cast<const World &>(World::getInstance()).getAllMolecules();
187
188 if (molecules.size() > 0) {
189 for (std::vector<const molecule*>::const_iterator Runner = molecules.begin();
190 Runner != molecules.end();
191 Runner++) {
192
193 // molecule selected but not in scene?
194 const bool isSelected =
195 const_cast<const World &>(World::getInstance()).isSelected(*Runner);
196 if (isSelected){
197 MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find((*Runner)->getId());
198 ASSERT( iter != MoleculesinSceneMap.end(),
199 "GLWorldScene::worldSelectionChanged() - selected molecule is unknown.");
200 GLMoleculeObject_molecule *molObject = iter->second;
201 // inform molecule object
202 molObject->selected(isSelected);
203 }
204 }
205 }
206}
207
208/** Inserts a molecule into the scene.
209 *
210 * @param _mol molecule to insert
211 */
212void GLWorldScene::moleculeInserted(const moleculeId_t _id)
213{
214 LOG(3, "INFO: GLWorldScene: Received signal moleculeInserted for molecule "+toString(_id)+".");
215 MoleculeNodeMap::const_iterator iter = MoleculesinSceneMap.find(_id);
216 ASSERT( iter == MoleculesinSceneMap.end(),
217 "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" already present.");
218
219 // add new object
220 GLMoleculeObject_molecule *molObject = new GLMoleculeObject_molecule(GLMoleculeObject::meshEmpty, this, _id);
221 ASSERT( molObject != NULL,
222 "GLWorldScene::moleculeInserted - could not create molecule object for "+toString(_id));
223 MoleculesinSceneMap.insert( make_pair(_id, molObject) );
224 connect (molObject, SIGNAL(changed()), this, SIGNAL(changed()));
225 connect (molObject, SIGNAL(changeOccured()), this, SIGNAL(changeOccured()));
226 connect (molObject, SIGNAL(atomClicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
227 connect (molObject, SIGNAL(moleculeClicked(moleculeId_t)), this, SLOT(moleculeClicked(moleculeId_t)));
228 connect (molObject, SIGNAL(changeAtomId(GLMoleculeObject_atom *, int, int)), this, SLOT(changeAtomId(GLMoleculeObject_atom *, int, int)));
229 connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
230 connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
231 connect (molObject, SIGNAL(hoverChanged(const atomId_t)), this, SIGNAL(hoverChanged(const atomId_t)));
232 connect (molObject, SIGNAL(hoverChanged(const moleculeId_t, int)), this, SIGNAL(hoverChanged(const moleculeId_t, int)));
233 emit changed();
234 emit changeOccured();
235}
236
237/** Removes a molecule from the scene.
238 *
239 * @param _id id of molecule to remove
240 */
241void GLWorldScene::moleculeRemoved(const moleculeId_t _id)
242{
243 LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_id)+".");
244 MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_id);
245 ASSERT( iter != MoleculesinSceneMap.end(),
246 "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" is unknown.");
247
248 GLMoleculeObject_molecule *molObject = iter->second;
249 molObject->disconnect();
250 MoleculesinSceneMap.erase(iter);
251 delete molObject;
252 emit changed();
253 emit changeOccured();
254}
255
256void GLWorldScene::moleculesVisibilityChanged(const moleculeId_t _id, bool _visible)
257{
258 MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_id);
259 ASSERT( iter != MoleculesinSceneMap.end(),
260 "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" is unknown.");
261
262 GLMoleculeObject_molecule *molObject = iter->second;
263 molObject->setVisible(_visible);
264
265 emit changed();
266 emit changeOccured();
267}
268
269/** Adds a shape to the scene.
270 *
271 * uses ShapeRegistry::lastChanged()
272 *
273 */
274void GLWorldScene::addShape()
275{
276 Shape &shape = *ShapeRegistry::getInstance().lastChanged();
277 GLMoleculeObject_shape *shapeObject = new GLMoleculeObject_shape(shape, this);
278 ShapeNodeMap::iterator iter = ShapesinSceneMap.find(shape.getName());
279 ASSERT(iter == ShapesinSceneMap.end(),
280 "GLWorldScene::addShape() - same shape "+shape.getName()+" added again.");
281 ShapesinSceneMap.insert( make_pair(shape.getName(), shapeObject) );
282}
283
284void GLWorldScene::removeShape()
285{
286 Shape &shape = *ShapeRegistry::getInstance().lastChanged();
287 ShapeNodeMap::iterator iter = ShapesinSceneMap.find(shape.getName());
288 ASSERT(iter != ShapesinSceneMap.end(),
289 "GLWorldScene::removeShape() - shape "+shape.getName()+" not in scene.");
290 ShapesinSceneMap.erase(iter);
291 delete(iter->second);
292}
293
294void GLWorldScene::updateSelectedShapes()
295{
296 foreach (QObject *obj, children()) {
297 GLMoleculeObject_shape *shapeobj = qobject_cast<GLMoleculeObject_shape *>(obj);
298 if (shapeobj){
299 shapeobj->enable(ShapeRegistry::getInstance().isSelected(shapeobj->getShape()));
300 }
301 }
302}
303
304void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
305{
306 // Initialize all of the mesh objects that we have as children.
307 foreach (QObject *obj, children()) {
308 GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
309 if (meshobj)
310 meshobj->initialize(view, painter);
311 }
312}
313
314void GLWorldScene::draw(QGLPainter *painter, const QVector4D &cameraPlane) const
315{
316 // Draw all of the mesh objects that we have as children.
317 foreach (QObject *obj, children()) {
318 GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
319 if (meshobj)
320 meshobj->draw(painter, cameraPlane);
321 }
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}
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