source: src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp@ b6d92e

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 b6d92e was 9a7ef9, checked in by Frederik Heber <heber@…>, 10 years ago

Molecules can be (un)selected by clicking on the tesselation hull.

  • Property mode set to 100644
File size: 15.9 KB
RevLine 
[907636]1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
[0aa122]4 * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
[5aaa43]5 * Copyright (C) 2013 Frederik Heber. All rights reserved.
[94d5ac6]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/>.
[907636]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"
[d1196d]39#include <Qt3D/qglview.h>
[bca99d]40#include <Qt3D/qglbuilder.h>
41#include <Qt3D/qglscenenode.h>
42#include <Qt3D/qglsphere.h>
43#include <Qt3D/qglcylinder.h>
[907636]44
45#include "GLMoleculeObject.hpp"
[7188b1]46#include "GLMoleculeObject_atom.hpp"
47#include "GLMoleculeObject_bond.hpp"
[c67518]48#include "GLMoleculeObject_molecule.hpp"
[f75491]49#include "GLMoleculeObject_shape.hpp"
[907636]50
51#include "CodePatterns/MemDebug.hpp"
52
[7188b1]53#include "CodePatterns/Log.hpp"
54
[0e9ffe]55#include "Actions/SelectionAction/Atoms/AtomByIdAction.hpp"
[89643d]56#include "Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp"
[6966b7]57#include "Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp"
58#include "Actions/SelectionAction/Molecules/NotMoleculeByIdAction.hpp"
[6f0841]59#include "Atom/atom.hpp"
[7188b1]60#include "Bond/bond.hpp"
[89643d]61#include "Descriptors/AtomIdDescriptor.hpp"
[8c001a]62#include "Descriptors/MoleculeIdDescriptor.hpp"
[37b2575]63#include "Helpers/helpers.hpp"
[85c36d]64#include "Shapes/ShapeRegistry.hpp"
[907636]65#include "molecule.hpp"
66#include "World.hpp"
67
[2ad1ec]68#include <iostream>
69
[ce7fdc]70using namespace MoleCuilder;
[907636]71
72GLWorldScene::GLWorldScene(QObject *parent)
[8c001a]73 : QObject(parent)
[907636]74{
[72a4c1]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;
[8c001a]79 GLMoleculeObject::meshEmpty[i] = emptyBuilder.finalizedSceneNode();
[72a4c1]80 QGLBuilder sphereBuilder;
81 sphereBuilder << QGLSphere(2.0, sphereDetails[i]);
[8c001a]82 GLMoleculeObject::meshSphere[i] = sphereBuilder.finalizedSceneNode();
83 GLMoleculeObject::meshSphere[i]->setOption(QGLSceneNode::CullBoundingBox, true);
[72a4c1]84 QGLBuilder cylinderBuilder;
85 cylinderBuilder << QGLCylinder(.25,.25,1.0,cylinderDetails[i]);
[8c001a]86 GLMoleculeObject::meshCylinder[i] = cylinderBuilder.finalizedSceneNode();
87 GLMoleculeObject::meshCylinder[i]->setOption(QGLSceneNode::CullBoundingBox, true);
[72a4c1]88 }
[0a6ff9]89
[ce4126]90 connect(this, SIGNAL(updated()), this, SLOT(update()));
91
[8c001a]92
[6966b7]93 setSelectionMode(SelectAtom);
94
[907636]95 init();
96}
97
98GLWorldScene::~GLWorldScene()
[7188b1]99{
100 // remove all elements
101 GLMoleculeObject::cleanMaterialMap();
102}
[907636]103
104/** Initialise the WorldScene with molecules and atoms from World.
105 *
106 */
107void GLWorldScene::init()
108{
[8c001a]109 const std::vector<molecule *> &molecules = World::getInstance().getAllMolecules();
110
111 for (std::vector<molecule*>::const_iterator moliter = molecules.begin();
112 moliter != molecules.end();
113 moliter++) {
114 // create molecule objects in scene
115 moleculeInserted(*moliter);
[ce4126]116 }
117}
[c67518]118
[ce4126]119/** Update the WorldScene with molecules and atoms from World.
120 *
121 * This function should be called after e.g. WorldTime::TimeChanged was
122 * received or after another molecule has been loaded.
123 *
124 */
125void GLWorldScene::update()
126{
[8c001a]127 const std::vector<molecule *> &molecules = World::getInstance().getAllMolecules();
128
129 for (std::vector<molecule*>::const_iterator moliter = molecules.begin();
130 moliter != molecules.end();
131 moliter++) {
132 // check whether molecule already exists
133 const moleculeId_t molid = (*moliter)->getId();
134 const bool mol_present = MoleculesinSceneMap.count(molid);
135 if (!mol_present)
136 moleculeInserted(*moliter);
[907636]137 }
138}
139
[8c001a]140void GLWorldScene::atomClicked(atomId_t no)
141{
142 LOG(3, "INFO: GLMoleculeObject_molecule - atom " << no << " has been clicked.");
143 const atom *Walker = World::getInstance().getAtom(AtomById(no));
144 if (selectionMode == SelectAtom){
145 if (!World::getInstance().isSelected(Walker))
146 SelectionAtomById(std::vector<atomId_t>(1,no));
147 else
148 SelectionNotAtomById(std::vector<atomId_t>(1,no));
149 }else if (selectionMode == SelectMolecule){
150 const molecule *mol = Walker->getMolecule();
151 ASSERT(mol, "Atom without molecule has been clicked.");
152 if (!World::getInstance().isSelected(mol))
153 SelectionMoleculeById(mol->getId());
154 else
155 SelectionNotMoleculeById(mol->getId());
156 }
157 emit clicked(no);
158}
159
[9a7ef9]160void GLWorldScene::moleculeClicked(moleculeId_t no)
161{
162 LOG(3, "INFO: GLMoleculeObject_molecule - mol " << no << " has been clicked.");
163 const molecule *mol= World::getInstance().getMolecule(MoleculeById(no));
164 ASSERT(mol, "Atom without molecule has been clicked.");
165 if (!World::getInstance().isSelected(mol))
166 SelectionMoleculeById(mol->getId());
167 else
168 SelectionNotMoleculeById(mol->getId());
169 emit clicked(no);
170}
171
[8c001a]172
[7188b1]173/** Adds an atom to the scene.
174 *
175 * @param _atom atom to add
176 */
[8c001a]177void GLWorldScene::atomInserted(const atomId_t _id)
[907636]178{
[beadd0]179 LOG(3, "INFO: GLWorldScene: Received signal atomInserted for atom "+toString(_id)+".");
[8c001a]180 // find associated molecule
181 const moleculeId_t molid = World::getInstance().getAtom(AtomById(_id))->getMolecule()->getId();
182 MoleculeNodeMap::const_iterator moliter = MoleculesinSceneMap.find(molid );
183 ASSERT(moliter != MoleculesinSceneMap.end(),
184 "GLWorldScene::atomAdded() - molecule with id of "+toString(molid)
185 +" atom with id "+toString(_id)+" is unknown.");
186 GLMoleculeObject_molecule *molObject = moliter->second;
187
188 // add atom to internal list
189#ifndef NDEBUG
190 AtomMoleculeMap::const_iterator atomiter = AtomsinSceneMap.find(_id);
191 ASSERT(atomiter == AtomsinSceneMap.end(),
192 "GLWorldScene::atomRemoved() - atom "+toString(_id)+" already known.");
193#endif
194 AtomsinSceneMap.insert( std::make_pair( _id, molObject ));
195
196 // inform its GlMoleculeObject_molecule.
197 molObject->atomInserted(_id);
198
199 // emit change
[65487f]200 emit changeOccured();
[7188b1]201}
202
203/** Removes an atom from the scene.
204 *
[c48ac12]205 * We just the id as the atom might have already been destroyed.
206 *
207 * @param _id id of atom to remove
[7188b1]208 */
[8c001a]209void GLWorldScene::atomRemoved(const atomId_t _id)
[7188b1]210{
[c48ac12]211 LOG(3, "INFO: GLWorldScene: Received signal atomRemoved for atom "+toString(_id)+".");
[8c001a]212 // find associated molecule
213 AtomMoleculeMap::iterator iter = AtomsinSceneMap.find(_id);
[37b2575]214 ASSERT(iter != AtomsinSceneMap.end(),
[c48ac12]215 "GLWorldScene::atomRemoved() - atom "+toString(_id)+" not on display.");
[8c001a]216 GLMoleculeObject_molecule *molObject = iter->second;
217
218 // remove from internal list
[37b2575]219 AtomsinSceneMap.erase(iter);
[8c001a]220
221 // inform its GlMoleculeObject_molecule.
222 molObject->atomRemoved(_id);
223
224 // emit change
[65487f]225 emit changeOccured();
[907636]226}
227
[3927ef]228/** ....
[c67518]229 *
230 */
[3927ef]231void GLWorldScene::worldSelectionChanged()
[c67518]232{
[3927ef]233 LOG(3, "INFO: GLWorldScene: Received signal selectionChanged.");
234
235 const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
236
237 if (molecules.size() > 0) {
238 for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
239 Runner != molecules.end();
240 Runner++) {
241
242 // molecule selected but not in scene?
[8c001a]243 const bool isSelected = World::getInstance().isSelected(*Runner);
244 if (isSelected){
245 MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find((*Runner)->getId());
246 ASSERT( iter != MoleculesinSceneMap.end(),
247 "GLWorldScene::worldSelectionChanged() - selected molecule is unknown.");
248 GLMoleculeObject_molecule *molObject = iter->second;
249 // inform molecule object
250 molObject->selected(isSelected);
[3927ef]251 }
252 }
253 }
[c67518]254}
255
[8c001a]256/** Inserts a molecule into the scene.
[c67518]257 *
[8c001a]258 * @param _mol molecule to insert
[c67518]259 */
[8c001a]260void GLWorldScene::moleculeInserted(const molecule * _mol)
[c67518]261{
[8c001a]262 LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_mol->getId())+".");
263 MoleculeNodeMap::const_iterator iter = MoleculesinSceneMap.find(_mol->getId());
264 ASSERT( iter == MoleculesinSceneMap.end(),
265 "GLWorldScene::moleculeInserted() - molecule's id "+toString(_mol->getId())+" already present.");
266
267 // add new object
268 GLMoleculeObject_molecule *molObject = new GLMoleculeObject_molecule(GLMoleculeObject::meshEmpty, this, _mol);
269 MoleculesinSceneMap.insert( make_pair(_mol->getId(), molObject) );
270 connect (molObject, SIGNAL(changed()), this, SIGNAL(changed()));
271 connect (molObject, SIGNAL(changeOccured()), this, SIGNAL(changeOccured()));
272 connect (molObject, SIGNAL(atomClicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
[9a7ef9]273 connect (molObject, SIGNAL(moleculeClicked(moleculeId_t)), this, SLOT(moleculeClicked(moleculeId_t)));
[8c001a]274 connect (molObject, SIGNAL(changeAtomId(GLMoleculeObject_atom *, int, int)), this, SLOT(changeAtomId(GLMoleculeObject_atom *, int, int)));
275 connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
276 connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
[2b596f]277 connect (molObject, SIGNAL(hoverChanged(const atom &)), this, SIGNAL(hoverChanged(const atom &)));
278 connect (molObject, SIGNAL(hoverChanged(const molecule &, int)), this, SIGNAL(hoverChanged(const molecule &, int)));
[8c001a]279 emit changed();
280 emit changeOccured();
[c67518]281}
282
[8c001a]283/** Removes a molecule from the scene.
[7188b1]284 *
[8c001a]285 * @param _id id of molecule to remove
[7188b1]286 */
[8c001a]287void GLWorldScene::moleculeRemoved(const moleculeId_t _id)
[7188b1]288{
[8c001a]289 LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_id)+".");
290 MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_id);
291 ASSERT( iter != MoleculesinSceneMap.end(),
292 "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" is unknown.");
293
294 GLMoleculeObject_molecule *molObject = iter->second;
295 molObject->disconnect();
296 MoleculesinSceneMap.erase(iter);
297 delete molObject;
298 emit changed();
299 emit changeOccured();
[ce4126]300}
301
[739ee9]302void GLWorldScene::moleculesVisibilityChanged(const moleculeId_t _id, bool _visible)
303{
304 MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_id);
305 ASSERT( iter != MoleculesinSceneMap.end(),
306 "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" is unknown.");
307
308 GLMoleculeObject_molecule *molObject = iter->second;
309 molObject->setVisible(_visible);
310
311 emit changed();
312 emit changeOccured();
313}
314
[ce4126]315/** Adds a bond to the scene.
316 *
317 * @param _bond bond to add
318 * @param side which side of the bond (left or right)
319 */
320void GLWorldScene::bondInserted(const bond::ptr _bond, const enum GLMoleculeObject_bond::SideOfBond _side)
321{
322 LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
323 //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
[8c001a]324 // bond partners must both belong to same atom
325 ASSERT( _bond->leftatom->getMolecule() == _bond->rightatom->getMolecule(),
326 "GLWorldScene::bondInserted() - bond partners do not belong to same molecule.");
327
328 // find associated molecule object
329 const moleculeId_t molid = _bond->leftatom->getMolecule()->getId();
330 MoleculeNodeMap::const_iterator moliter = MoleculesinSceneMap.find(molid );
331 ASSERT(moliter != MoleculesinSceneMap.end(),
332 "GLWorldScene::bondInserted() - molecule with id of "+toString(molid)
333 +" atom with id "+toString(_bond->leftatom->getId())+" is unknown.");
334 GLMoleculeObject_molecule *molObject = moliter->second;
335
336 // add to internal list
337 const GLMoleculeObject_molecule::BondIds ids =
338 GLMoleculeObject_molecule::getBondIds(_bond, _side);
339 BondMoleculeMap::const_iterator iter = BondsinSceneMap.find(ids);
340 ASSERT(iter == BondsinSceneMap.end(),
341 "GLWorldScene::bondInserted() - bond with ids "+toString(ids.first)
342 +","+toString(ids.second)+" already present.");
343 BondsinSceneMap.insert( std::make_pair( ids, molObject ));
344
345 // inform its GlMoleculeObject_molecule.
346 molObject->bondInserted(_bond, _side);
347
348 // emit change
[65487f]349 emit changeOccured();
[7188b1]350}
[907636]351
[37b2575]352/** Removes a bond from the scene.
[7188b1]353 *
354 * @param _bond bond to remove
355 */
[37b2575]356void GLWorldScene::bondRemoved(const atomId_t leftnr, const atomId_t rightnr)
[907636]357{
[2ad1ec]358 LOG(3, "INFO: GLWorldScene::bondRemoved() - Removing bond between "+toString(leftnr)+" and "+toString(rightnr)+".");
[7188b1]359 {
360 // left bond
[8c001a]361 const GLMoleculeObject_molecule::BondIds Leftids( make_pair(leftnr, rightnr) );
362 BondMoleculeMap::iterator leftiter = BondsinSceneMap.find( Leftids );
[37b2575]363 ASSERT(leftiter != BondsinSceneMap.end(),
364 "GLWorldScene::bondRemoved() - bond "+toString(leftnr)+"-"
365 +toString(rightnr)+" not on display.");
[8c001a]366 GLMoleculeObject_molecule *molObject = leftiter->second;
367
368 // remove from internal list
[37b2575]369 BondsinSceneMap.erase(leftiter);
[8c001a]370
371 // inform its GlMoleculeObject_molecule.
372 molObject->bondRemoved( leftnr, rightnr );
[7188b1]373 }
[2ad1ec]374
[8c001a]375 // emit change
[65487f]376 emit changeOccured();
[7188b1]377}
378
[f75491]379/** Adds a shape to the scene.
380 *
[4d6662]381 * uses ShapeRegistry::lastChanged()
382 *
[f75491]383 */
[4d6662]384void GLWorldScene::addShape()
[f75491]385{
[4d6662]386 Shape &shape = *ShapeRegistry::getInstance().lastChanged();
[f75491]387 GLMoleculeObject_shape *shapeObject = new GLMoleculeObject_shape(shape, this);
[284551]388 ShapeNodeMap::iterator iter = ShapesinSceneMap.find(shape.getName());
389 ASSERT(iter == ShapesinSceneMap.end(),
390 "GLWorldScene::addShape() - same shape "+shape.getName()+" added again.");
391 ShapesinSceneMap.insert( make_pair(shape.getName(), shapeObject) );
392}
393
[4d6662]394void GLWorldScene::removeShape()
[85c36d]395{
[4d6662]396 Shape &shape = *ShapeRegistry::getInstance().lastChanged();
[85c36d]397 ShapeNodeMap::iterator iter = ShapesinSceneMap.find(shape.getName());
[ba6b5c]398 ASSERT(iter != ShapesinSceneMap.end(),
[85c36d]399 "GLWorldScene::removeShape() - shape "+shape.getName()+" not in scene.");
[148dde0]400 ShapesinSceneMap.erase(iter);
[85c36d]401 delete(iter->second);
402}
403
404void GLWorldScene::updateSelectedShapes()
[284551]405{
406 foreach (QObject *obj, children()) {
407 GLMoleculeObject_shape *shapeobj = qobject_cast<GLMoleculeObject_shape *>(obj);
[85c36d]408 if (shapeobj){
409 shapeobj->enable(ShapeRegistry::getInstance().isSelected(shapeobj->getShape()));
410 }
[284551]411 }
[f75491]412}
413
[7188b1]414void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
415{
416 // Initialize all of the mesh objects that we have as children.
417 foreach (QObject *obj, children()) {
418 GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
419 if (meshobj)
420 meshobj->initialize(view, painter);
421 }
422}
423
[72a4c1]424void GLWorldScene::draw(QGLPainter *painter, const QVector4D &cameraPlane) const
[7188b1]425{
426 // Draw all of the mesh objects that we have as children.
427 foreach (QObject *obj, children()) {
428 GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
429 if (meshobj)
[72a4c1]430 meshobj->draw(painter, cameraPlane);
[7188b1]431 }
[907636]432}
[06ebf5]433
[6966b7]434void GLWorldScene::setSelectionMode(SelectionModeType mode)
435{
436 selectionMode = mode;
437 // TODO send update to toolbar
438}
439
440void GLWorldScene::setSelectionModeAtom()
441{
442 setSelectionMode(SelectAtom);
443}
444
445void GLWorldScene::setSelectionModeMolecule()
446{
447 setSelectionMode(SelectMolecule);
448}
449
[30cd0d]450void GLWorldScene::changeAtomId(GLMoleculeObject_atom *ob, int oldId, int newId)
451{
452 LOG(3, "INFO: GLWorldScene - change atom id " << oldId << " to " << newId << ".");
453 // Remove from map.
[8c001a]454 AtomMoleculeMap::iterator iter = AtomsinSceneMap.find(oldId);
[30cd0d]455 ASSERT(iter != AtomsinSceneMap.end(),
[8c001a]456 "GLWorldScene::changeAtomId() - atom with old id "+toString(oldId)+" not on display.");
457 GLMoleculeObject_molecule *molObject = iter->second;
458
459 // erase by signalling removal
460 molObject->atomRemoved(oldId);
461
462 // remove from internal list
[30cd0d]463 AtomsinSceneMap.erase(iter);
464
465 // Reinsert with new id.
[8c001a]466 {
467 AtomMoleculeMap::iterator iter = AtomsinSceneMap.find(newId);
468 ASSERT(iter == AtomsinSceneMap.end(),
469 "GLWorldScene::changeAtomId() - atom with new id "+toString(newId)+" already known.");
470 }
471 AtomsinSceneMap.insert( make_pair(newId, molObject) );
472
473 // inform molecule object
474 molObject->atomInserted(oldId);
[30cd0d]475}
Note: See TracBrowser for help on using the repository browser.