source: src/UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp@ 907636

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 907636 was 907636, checked in by Frederik Heber <heber@…>, 13 years ago

First working version of GLWorldView that show atoms and molecules.

  • GLWorldView is view of model GLWorldScene.
  • GLWorldScene contains GLMoleculeScene for each molecule.
  • GLMoleculeScene contains GLMoleculeObject_.. for each atom and two for each bond.
  • GLMoleculeObject_... derive from GLMoleculeObject which hides the specifics of being sphere or cylinder and allows for initializing and drawing unifiedly.
  • so far clicking the atoms is not working (as in teaservice example).
  • Property mode set to 100644
File size: 4.8 KB
Line 
1/*
2 * Project: MoleCuilder
3 * Description: creates and alters molecular systems
4 * Copyright (C) 2010 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
24#include "GLMoleculeScene.hpp"
25#include "GLMoleculeObject.hpp"
26
27#include "CodePatterns/MemDebug.hpp"
28
29#include "atom.hpp"
30#include "molecule.hpp"
31#include "World.hpp"
32
33
34GLWorldScene::GLWorldScene(QObject *parent)
35 : QObject(parent)
36{
37 init();
38
39 //changeMaterials(false);
40}
41
42GLWorldScene::~GLWorldScene()
43{}
44
45/** Initialise the WorldScene with molecules and atoms from World.
46 *
47 */
48void GLWorldScene::init()
49{
50 const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
51
52 if (molecules.size() > 0) {
53 for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
54 Runner != molecules.end();
55 Runner++) {
56 // create molecule
57 GLMoleculeScene * const molObject = new GLMoleculeScene(this, *Runner);
58 MoleculeSceneList.push_back(molObject);
59 }
60 }
61}
62
63void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
64{
65 for (List_MoleculeScene::const_iterator iter = MoleculeSceneList.begin();
66 iter != MoleculeSceneList.end();
67 ++iter) {
68 (*iter)->initialize(view, painter);
69 }
70}
71
72
73void GLWorldScene::draw(QGLPainter *painter) const
74{
75 for (List_MoleculeScene::const_iterator iter = MoleculeSceneList.begin();
76 iter != MoleculeSceneList.end();
77 ++iter) {
78 (*iter)->draw(painter);
79 }
80}
81//
82///** create an atom object in the scene.
83// * \param molObject Object of the molecule in the scene to set as parent
84// * \param _atom ref to the atom to create
85// */
86//void GLWorldScene::makeAtom(GLMoleculeObject *&molObject, const atom *&_atom)
87//{
88// // create object (hand over getMaterial as callback function)
89// GLMoleculeObject_atom *newatom = new GLMoleculeObject_atom(molObject, _atom, &getMaterial);
90//
91// // connect signal
92// connect(newatom, SIGNAL(hoverChanged()), this, SIGNAL(changed()));
93//
94// // add to nodes map
95// AtomsinSceneMap.insert( make_pair(_atom->getId(), newatom) );
96//}
97//
98///** Create a bond object in the scene.
99// * \param molObject Object of the molecule in the scene to set as parent
100// * \param _bond ref to the bond to create
101// */
102//void GLWorldScene::makeCylinder(GLMoleculeObject *&molObject, const bond *_bond)
103// //const Vector &x, const Vector &y, double radius, double height, const size_t elementno)
104//{
105// // create object
106// QGLMoleculeObject_bond *newbond = new QGLMoleculeObject_bond(molObject, _bond, &getMaterial)
107//
108// // nothing to connect here
109//
110// // add to nodes map
111// BondsinSceneMap.insert(
112// make_pair(
113// make_pair(
114// _bond->leftatom->getId(),
115// _bond->rightatom->getId()
116// ),
117// newatom) );
118//}
119//
120//
121//
122//QGLSceneNode* GLMoleculeView::getAtom(size_t no)
123//{
124// // first some sensibility checks
125// ASSERT(World::getInstance().getAtom(AtomById(no)) != NULL,
126// "GLMoleculeView::getAtom() - desired atom "
127// +toString(no)+" not present in the World.");
128// ASSERT(AtomsinSceneMap.find(no) != AtomsinSceneMap.end(),
129// "GLMoleculeView::getAtom() - desired atom "
130// +toString(no)+" not present in the AtomsinSceneMap.");
131//
132// return AtomsinSceneMap[no];
133//}
134//
135//QGLSceneNode* GLMoleculeView::getBond(size_t leftno, size_t rightno)
136//{
137// // first some sensibility checks
138// ASSERT(World::getInstance().getAtom(AtomById(leftno)) != NULL,
139// "GLMoleculeView::getAtom() - desired atom "
140// +toString(leftno)+" of bond not present in the World.");
141// ASSERT(World::getInstance().getAtom(AtomById(rightno)) != NULL,
142// "GLMoleculeView::getAtom() - desired atom "
143// +toString(rightno)+" of bond not present in the World.");
144// ASSERT(AtomsinSceneMap.find(leftno) != AtomsinSceneMap.end(),
145// "GLMoleculeView::getAtom() - desired atom "
146// +toString(leftno)+" of bond not present in the AtomsinSceneMap.");
147// ASSERT(AtomsinSceneMap.find(rightno) != AtomsinSceneMap.end(),
148// "GLMoleculeView::getAtom() - desired atom "
149// +toString(rightno)+" of bond not present in the AtomsinSceneMap.");
150// ASSERT(leftno == rightno,
151// "GLMoleculeView::getAtom() - bond must not be between the same atom: "
152// +toString(leftno)+" == "+toString(rightno)+".");
153//
154// // then return with smaller index first
155// if (leftno > rightno)
156// return AtomsinSceneMap[ make_pair(rightno, leftno) ];
157// else
158// return AtomsinSceneMap[ make_pair(leftno, rightno) ];
159//}
160
161void GLWorldScene::atomClicked()
162{
163 qDebug("atom clicked");
164}
Note: See TracBrowser for help on using the repository browser.