Changeset 907636


Ignore:
Timestamp:
Oct 6, 2011, 3:06:16 PM (14 years ago)
Author:
Frederik Heber <heber@…>
Branches:
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
Children:
06ebf5
Parents:
04f017
git-author:
Frederik Heber <heber@…> (08/26/11 15:53:28)
git-committer:
Frederik Heber <heber@…> (10/06/11 15:06:16)
Message:

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).
Location:
src
Files:
10 added
6 edited

Legend:

Unmodified
Added
Removed

  • src/UIElements/Makefile.am

    r04f017 r907636  
    191191  UIElements/Views/Qt4/QtMoleculeView.cpp \
    192192  UIElements/Views/Qt4/QtStatusBar.cpp \
    193   UIElements/Views/Qt4/Qt3D/GLWorldView.cpp
    194 
    195 #  UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp \
    196   UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp \
    197   UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp \
    198   UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp \
    199   UIElements/Views/Qt4/Qt3D/GLMoleculeScene.cpp
     193  UIElements/Views/Qt4/Qt3D/GLWorldView.cpp \
     194  UIElements/Views/Qt4/Qt3D/GLWorldScene.cpp \
     195        UIElements/Views/Qt4/Qt3D/GLMoleculeObject.cpp \
     196        UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.cpp \
     197        UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp \
     198        UIElements/Views/Qt4/Qt3D/GLMoleculeScene.cpp
    200199#  UIElements/Views/Qt4/dialoglight.cpp
    201200             
    … …  
    223222  UIElements/Views/Qt4/QtMoleculeView.hpp \
    224223  UIElements/Views/Qt4/QtStatusBar.hpp \
    225   UIElements/Views/Qt4/Qt3D/GLWorldView.hpp
    226 
    227 #  UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp \
     224  UIElements/Views/Qt4/Qt3D/GLWorldView.hpp \
     225        UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp \
    228226        UIElements/Views/Qt4/Qt3D/GLMoleculeObject.hpp \
    229   UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp \
    230   UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp \
    231   UIElements/Views/Qt4/Qt3D/GLMoleculeScene.hpp
     227        UIElements/Views/Qt4/Qt3D/GLMoleculeObject_atom.hpp \
     228        UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.hpp \
     229        UIElements/Views/Qt4/Qt3D/GLMoleculeScene.hpp
    232230
    233231#QTUIUI_HEADER = \

  • src/UIElements/Qt4/QtMainWindow.cpp

    r04f017 r907636  
    5656  moleculeDisplay = new QtMoleculeView();
    5757  molecule3dDisplay = new GLWorldView(this);
    58   //setCentralWidget(molecule3dDisplay);
    59   //molecule3dDisplay->setFocus();
    60   //molecule3dDisplay->camera()->setEye( QVector3D(0,3,10));
     58//  molecule3dDisplay->setSizePolicy( QSizePolicy::Minimum,QSizePolicy::Minimum);
     59  molecule3dDisplay->setMinimumSize( QSize(640,480) );
     60//  molecule3dDisplay->setFocus();
     61  molecule3dDisplay->camera()->setEye( QVector3D(0,3,10));
    6162
    6263  MainMenu = new QtMenu<QMenuBar>(menuBar(), "");

  • src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp

    r04f017 r907636  
    2121
    2222#include <Qt/qevent.h>
    23 #include <Qt3D/qglbuilder.h>
    24 #include <Qt3D/qglcube.h>
    25 
    26 //#include "GLWorldScene.hpp"
     23
     24#include "GLWorldScene.hpp"
    2725
    2826#include "CodePatterns/MemDebug.hpp"
    … …  
    3129   : QGLView(parent), worldscene(NULL)
    3230{
    33 //   worldscene = new GLWorldScene(this);
     31   worldscene = new GLWorldScene(this);
    3432
    3533   setOption(QGLView::ObjectPicking, true);
    3634
    37 //   connect(worldscene, SIGNAL(changed()), this, SLOT(updateGL()));
     35   connect(worldscene, SIGNAL(changed()), this, SLOT(updateGL()));
    3836}
    3937
    … …  
    4644void GLWorldView::initializeGL(QGLPainter *painter)
    4745{
    48   QGLBuilder builder;
    49   builder << QGL::Faceted;
    50   builder << QGLCube();
    51   worldscene = builder.finalizedSceneNode();
    52 //   worldscene->initialize(this, painter);
     46   worldscene->initialize(this, painter);
    5347}
    5448
    5549void GLWorldView::paintGL(QGLPainter *painter)
    5650{
    57   painter->setStandardEffect(QGL::LitMaterial);
    58   painter->setFaceColor(QGL::AllFaces, QColor(170, 202, 0));
    59 
    60   painter->modelViewMatrix().rotate(45.0f, 1.0f, 1.0f, 1.0f);
    61   worldscene->draw(painter);
    62 //   worldscene->draw(painter);
     51   worldscene->draw(painter);
    6352}
    6453
    65 //void GLWorldView::keyPressEvent(QKeyEvent *e)
    66 //{
    67 //   if (e->key() == Qt::Key_Tab) {
    68 //       // The Tab key turns the ShowPicking option on and off,
    69 //       // which helps show what the pick buffer looks like.
    70 //       setOption(QGLView::ShowPicking, ((options() & QGLView::ShowPicking) == 0));
    71 //       updateGL();
    72 //   }
    73 //   QGLView::keyPressEvent(e);
    74 //}
    75 //
     54void GLWorldView::keyPressEvent(QKeyEvent *e)
     55{
     56   if (e->key() == Qt::Key_Tab) {
     57       // The Tab key turns the ShowPicking option on and off,
     58       // which helps show what the pick buffer looks like.
     59       setOption(QGLView::ShowPicking, ((options() & QGLView::ShowPicking) == 0));
     60       updateGL();
     61   }
     62   QGLView::keyPressEvent(e);
     63}
     64
    7665
    7766//#include <GL/glu.h>

  • src/UIElements/Views/Qt4/Qt3D/GLWorldView.hpp

    r04f017 r907636  
    1515
    1616#include "qglview.h"
    17 #include "qglteapot.h"
    1817
    19 //class QKeyEvent;
    20 //class GLWorldScene;
    21 class QGLSceneNode;
     18class QKeyEvent;
     19class GLWorldScene;
    2220class QGLPainter;
    2321
    … …  
    3836   void initializeGL(QGLPainter *painter);
    3937   void paintGL(QGLPainter *painter);
    40    //void keyPressEvent(QKeyEvent *e);
     38   void keyPressEvent(QKeyEvent *e);
    4139
    4240private:
    43    //GLWorldScene *worldscene;
    44    QGLSceneNode *worldscene;
     41   GLWorldScene *worldscene;
    4542};
    4643

  • src/element.cpp

    r04f017 r907636  
    2323
    2424#include "CodePatterns/Assert.hpp"
     25#include "CodePatterns/Log.hpp"
    2526#include "element.hpp"
    2627
    … …  
    5455  group = src.group;
    5556  block = src.block;
     57  for (size_t i =0; i<3;++i)
     58    color[i] = src.color[i];
    5659}
    5760
    … …  
    7073    name=src.name;
    7174    symbol=src.symbol;
     75    for (size_t i =0; i<3;++i)
     76      color[i] = src.color[i];
    7277    period = src.period;
    7378    group = src.group;

  • src/periodentafel.cpp

    r04f017 r907636  
    563563      }
    564564      input >> ws;
    565       {
    566         const element * tmp = FindElement(Z);
    567 //        DoLog(0) && (Log() << Verbose(0) << "Element " << tmp->getName() << " has ("
     565//      {
     566//        const element * tmp = FindElement(Z);
     567//        LOG(0, "Element " << tmp->getName() << " has ("
    568568//            << (int)tmp->color[0] << "," << (int)tmp->color[1] << "," << (int)tmp->color[2]
    569 //            << ") colors." << std::endl);
    570       }
     569//            << ") colors.");
     570//      }
    571571    }
    572572    return true;
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