Ignore:
Timestamp:
Apr 11, 2012, 4:52:37 PM (13 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:
3e93332
Parents:
c0ed1e (diff), 3927ef (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.
git-author:
Frederik Heber <heber@…> (04/06/12 11:59:28)
git-committer:
Frederik Heber <heber@…> (04/11/12 16:52:37)
Message:

Merge branch 'michi-track-molecules' into stable

Conflicts:

src/World.hpp

Location:
src/UIElements/Views/Qt4/Qt3D
Files:
2 added
9 edited

Legend:

Unmodified
Added
Removed

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

    rc0ed1e r53059e  
    4242#include "CodePatterns/MemDebug.hpp"
    4343
     44QGLMaterial *GLMoleculeObject::m_hoverMaterial = NULL;
     45QGLMaterial *GLMoleculeObject::m_selectionMaterial = NULL;
     46QGLMaterial *GLMoleculeObject::m_selectionBoxMaterial = NULL;
     47
    4448
    4549GLMoleculeObject::GLMoleculeObject(QGLSceneNode *GLMoleculeObject, QObject *parent)
    4650   : QObject(parent)
    4751{
    48    m_mesh = 0;
    49    m_GLMoleculeObject = GLMoleculeObject;
     52   m_mesh = GLMoleculeObject;
    5053   m_scale = 1.0f;
     54   m_scaleZ = 1.0f;
    5155   m_rotationAngle = 0.0f;
    5256   m_effect = 0;
    5357   m_objectId = -1;
    5458   m_hovering = false;
     59   m_selected = false;
    5560   m_material = 0;
    56    m_hoverMaterial = 0;
     61   initStaticMaterials();
    5762}
    5863
    … …  
    6166{
    6267   scene->setParent(this);
    63    m_mesh = 0;
    64    m_GLMoleculeObject = scene->mainNode();
     68   m_mesh = scene->mainNode();
    6569   m_scale = 1.0f;
     70   m_scaleZ = 1.0f;
    6671   m_rotationAngle = 0.0f;
    6772   m_effect = 0;
    6873   m_objectId = -1;
    6974   m_hovering = false;
     75   m_selected = false;
    7076   m_material = 0;
    71    m_hoverMaterial = 0;
     77   initStaticMaterials();
    7278}
    7379
    7480GLMoleculeObject::~GLMoleculeObject()
    7581{
    76    delete m_mesh;
    7782}
    7883
    … …  
    8287   if (m_objectId != -1)
    8388       view->registerObject(m_objectId, this);
     89}
     90
     91
     92/** Draws a box around the mesh.
     93 *
     94 */
     95void GLMoleculeObject::drawSelectionBox(QGLPainter *painter)
     96{
     97  painter->setFaceMaterial(QGL::AllFaces, m_selectionBoxMaterial);
     98  QVector3DArray array;
     99  qreal radius = 1.0;
     100  array.append(-radius, -radius, -radius); array.append( radius, -radius, -radius);
     101  array.append( radius, -radius, -radius); array.append( radius,  radius, -radius);
     102  array.append( radius,  radius, -radius); array.append(-radius,  radius, -radius);
     103  array.append(-radius,  radius, -radius); array.append(-radius, -radius, -radius);
     104
     105  array.append(-radius, -radius,  radius); array.append( radius, -radius,  radius);
     106  array.append( radius, -radius,  radius); array.append( radius,  radius,  radius);
     107  array.append( radius,  radius,  radius); array.append(-radius,  radius,  radius);
     108  array.append(-radius,  radius,  radius); array.append(-radius, -radius,  radius);
     109
     110  array.append(-radius, -radius, -radius); array.append(-radius, -radius,  radius);
     111  array.append( radius, -radius, -radius); array.append( radius, -radius,  radius);
     112  array.append(-radius,  radius, -radius); array.append(-radius,  radius,  radius);
     113  array.append( radius,  radius, -radius); array.append( radius,  radius,  radius);
     114  painter->clearAttributes();
     115  painter->setVertexAttribute(QGL::Position, array);
     116  painter->draw(QGL::Lines, 24);
    84117}
    85118
    … …  
    93126   if (m_rotationAngle != 0.0f)
    94127       painter->modelViewMatrix().rotate(m_rotationAngle, m_rotationVector);
     128   if (m_scaleZ != 1.0f)
     129       painter->modelViewMatrix().scale(1.0f, 1.0f, m_scaleZ);
    95130
    96131   // Apply the material and effect to the painter.
    … …  
    98133   if (m_hovering)
    99134       material = m_hoverMaterial;
     135   else if (m_selected)
     136       material = m_selectionMaterial;
    100137   else
    101138       material = m_material;
     139
     140   ASSERT(material, "GLMoleculeObject::draw: chosen material is NULL");
     141
    102142   painter->setColor(material->diffuseColor());
    103143   painter->setFaceMaterial(QGL::AllFaces, material);
    … …  
    113153
    114154   // Draw the geometry mesh.
    115    if (m_GLMoleculeObject)
    116        m_GLMoleculeObject->draw(painter);
    117    else
    118        m_mesh->draw(painter);
     155   m_mesh->draw(painter);
     156
     157   // Draw a box around the mesh, if selected.
     158   if (m_selected)
     159     drawSelectionBox(painter);
    119160
    120161   // Turn off the user effect, if present.
    … …  
    164205QGLMaterial* GLMoleculeObject::getMaterial(size_t no)
    165206{
    166   ASSERT( (no >= 0) && (no < MAX_ELEMENTS),
     207  ASSERT( (no > 0) && (no < MAX_ELEMENTS),
    167208      "GLMoleculeView::getMaterial() - Element no "+toString(no)+" is invalid.");
    168209  if (ElementNoMaterialMap.find(no) != ElementNoMaterialMap.end()){
    … …  
    174215    QGLMaterial *newmaterial = new QGLMaterial(NULL);
    175216
    176     if (no == 0) { // create hover material
    177       newmaterial->setAmbientColor( QColor(0, 128, 128) );
    178     } else { // create material for element
    179       periodentafel *periode = World::getInstance().getPeriode();
    180       const element *desiredelement = periode->FindElement(no);
    181       ASSERT(desiredelement != NULL,
    182           "GLMoleculeView::getMaterial() - desired element "+toString(no)+" not present in periodentafel.");
    183       const unsigned char* color = desiredelement->getColor();
    184       LOG(1, "Creating new material with color " << (int)color[0] << "," << (int)color[1] << "," << (int)color[2] << ".");
    185       newmaterial->setAmbientColor( QColor((int)color[0], (int)color[1], (int)color[2]) );
    186     }
     217    // create material for element
     218    periodentafel *periode = World::getInstance().getPeriode();
     219    const element *desiredelement = periode->FindElement(no);
     220    ASSERT(desiredelement != NULL,
     221        "GLMoleculeView::getMaterial() - desired element "+toString(no)+" not present in periodentafel.");
     222    const unsigned char* color = desiredelement->getColor();
     223    LOG(1, "Creating new material with color " << (int)color[0] << "," << (int)color[1] << "," << (int)color[2] << ".");
     224    newmaterial->setAmbientColor( QColor((int)color[0], (int)color[1], (int)color[2]) );
    187225    newmaterial->setSpecularColor( QColor(60, 60, 60) );
    188226    newmaterial->setShininess( 128 );
    … …  
    190228
    191229    return newmaterial;
     230  }
     231}
     232
     233/** Create the 3 materials shared by all objects.
     234 *
     235 */
     236void GLMoleculeObject::initStaticMaterials()
     237{
     238  if (!m_hoverMaterial){
     239    m_hoverMaterial = new QGLMaterial(NULL);
     240    m_hoverMaterial->setAmbientColor( QColor(0, 128, 128) );
     241    m_hoverMaterial->setSpecularColor( QColor(60, 60, 60) );
     242    m_hoverMaterial->setShininess( 128 );
     243  }
     244  if (!m_selectionMaterial){
     245    m_selectionMaterial = new QGLMaterial(NULL);
     246    m_selectionMaterial->setAmbientColor( QColor(255, 50, 50) );
     247    m_selectionMaterial->setSpecularColor( QColor(60, 60, 60) );
     248    m_selectionMaterial->setShininess( 128 );
     249  }
     250  if (!m_selectionBoxMaterial){
     251    m_selectionBoxMaterial = new QGLMaterial(NULL);
     252    m_selectionBoxMaterial->setAmbientColor( QColor(0, 0, 0) );
     253    m_selectionBoxMaterial->setDiffuseColor( QColor(0, 0, 0) );
     254    m_selectionBoxMaterial->setEmittedLight( QColor(155, 50, 50) );
    192255  }
    193256}
    … …  
    205268  }
    206269}
     270
     271
     272void GLMoleculeObject::setSelected(bool value)
     273{
     274  if (value != m_selected){
     275    m_selected = value;
     276    emit selectionChanged();
     277  }
     278}

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

    rc0ed1e r53059e  
    4747   void setScale(qreal value) { m_scale = value; }
    4848
     49   qreal scaleZ() const { return m_scaleZ; }
     50   void setScaleZ(qreal value) { m_scaleZ = value; }
     51
    4952   qreal rotationAngle() const { return m_rotationAngle; }
    5053   void setRotationAngle(qreal value) { m_rotationAngle = value; }
    … …  
    5457
    5558   QGLMaterial *material() const { return m_material; }
    56    void setMaterial(QGLMaterial *value)
    57        { m_material = value; m_hoverMaterial = value; }
    58 
    59    QGLMaterial *hoverMaterial() const { return m_hoverMaterial; }
    60    void setHoverMaterial(QGLMaterial *value) { m_hoverMaterial = value; }
     59   void setMaterial(QGLMaterial *value) { m_material = value; }
    6160
    6261   QGLAbstractEffect *effect() const { return m_effect; }
    … …  
    6665   void setObjectId(int id) { m_objectId = id; }
    6766
     67   bool selected() const { return m_selected; }
     68   void setSelected(bool value);
     69
     70   void initStaticMaterials();
    6871   void initialize(QGLView *view, QGLPainter *painter);
    6972   void draw(QGLPainter *painter);
     73   void drawSelectionBox(QGLPainter *painter);
    7074
    7175signals:
    … …  
    7579   void doubleClicked();
    7680   void hoverChanged();
     81   void selectionChanged();
     82   void changed();
    7783
    7884protected:
    … …  
    8894
    8995   QGLSceneNode *m_mesh;
    90    QGLSceneNode *m_GLMoleculeObject;
    9196   QGLAbstractScene *m_scene;
    9297   QVector3D m_position;
    9398   qreal m_scale;
     99   qreal m_scaleZ;
    94100   qreal m_rotationAngle;
    95101   QVector3D m_rotationVector;
    96102   QGLMaterial *m_material;
    97    QGLMaterial *m_hoverMaterial;
     103   static QGLMaterial *m_hoverMaterial;
     104   static QGLMaterial *m_selectionMaterial;
     105   static QGLMaterial *m_selectionBoxMaterial;
    98106   QGLAbstractEffect *m_effect;
    99107   int m_objectId;
    100108   bool m_hovering;
     109   bool m_selected;
    101110};
    102111

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

    rc0ed1e r53059e  
    4141{
    4242  QGLBuilder builder;
    43   builder << QGLSphere(0.5);
     43  builder << QGLSphere(2.0);
    4444  QGLSceneNode *n = builder.finalizedSceneNode();
    4545  n->setParent(parent);
    … …  
    5757  atomref->signOn(this, AtomObservable::ElementChanged);
    5858  atomref->signOn(this, AtomObservable::BondsAdded);
     59  World::getInstance().signOn(this, World::SelectionChanged);
    5960
    6061  // set the object's id
    … …  
    7273  _atom->signOff(this, AtomObservable::ElementChanged);
    7374  _atom->signOff(this, AtomObservable::BondsAdded);
     75  World::getInstance().signOff(this, World::SelectionChanged);
    7476}
    7577
    … …  
    104106      "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function is NULL.");
    105107  setMaterial(elementmaterial);
    106   QGLMaterial *hovermaterial = getMaterial(0); // 0 is the hover material
    107   ASSERT(hovermaterial != NULL,
    108       "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function for hover is NULL.");
    109   setHoverMaterial(hovermaterial);
    110108
    111109  // set scale
    … …  
    116114    radius = 0.5;
    117115  }
    118   setScale( radius );
     116  setScale( radius / 4. );
    119117}
    120118
    … …  
    136134  // set the object's id
    137135  resetIndex();
     136
     137  // selected?
     138  setSelected(World::getInstance().isSelected(_atom));
    138139}
    139140
    … …  
    143144void GLMoleculeObject_atom::recieveNotification(Observable *publisher, Notification_ptr notification)
    144145{
     146  if (publisher == dynamic_cast<const Observable*>(_atom)){
     147    // notofication from atom
    145148#ifdef LOG_OBSERVER
    146   observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
    147       << " received notification from atom " << _atom->getId() << " for channel "
    148       << notification->getChannelNo() << ".";
    149 #endif
    150   switch (notification->getChannelNo()) {
    151     case AtomObservable::ElementChanged:
    152       resetElement();
    153       break;
    154     case AtomObservable::IndexChanged:
    155       resetIndex();
    156       break;
    157     case AtomObservable::PositionChanged:
    158       resetPosition();
    159       break;
    160     case AtomObservable::BondsAdded:
     149    observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
     150          << " received notification from atom " << _atom->getId() << " for channel "
     151          << notification->getChannelNo() << ".";
     152#endif
     153    switch (notification->getChannelNo()) {
     154      case AtomObservable::ElementChanged:
     155        resetElement();
     156        emit changed();
     157        break;
     158      case AtomObservable::IndexChanged:
     159        resetIndex();
     160        break;
     161      case AtomObservable::PositionChanged:
     162        resetPosition();
     163        emit changed();
     164        break;
     165      case AtomObservable::BondsAdded:
    161166      {
    162         ASSERT(!_atom->getListOfBonds().empty(),
    163             "GLMoleculeObject_atom::recieveNotification() - received BondsAdded but ListOfBonds is empty.");
    164         const bond * _bond = *(_atom->getListOfBonds().rbegin());
    165         const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == _atom) ?
    166             GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
    167         emit BondsInserted(_bond, side);
    168         break;
    169       }
    170     default:
    171       //setProperties();
    172       break;
     167          ASSERT(!_atom->getListOfBonds().empty(),
     168              "GLMoleculeObject_atom::recieveNotification() - received BondsAdded but ListOfBonds is empty.");
     169          const bond * _bond = *(_atom->getListOfBonds().rbegin());
     170          const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == _atom) ?
     171              GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
     172          emit BondsInserted(_bond, side);
     173          break;
     174        }
     175      default:
     176        //setProperties();
     177        break;
     178    }
     179  }else{
     180    // notification from world
     181#ifdef LOG_OBSERVER
     182    observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
     183          << " received notification from world for channel "
     184          << notification->getChannelNo() << ".";
     185#endif
     186    switch (notification->getChannelNo()) {
     187      case World::SelectionChanged:
     188        setSelected(World::getInstance().isSelected(_atom));
     189        break;
     190      default:
     191        break;
     192    }
    173193  }
    174194}

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

    rc0ed1e r53059e  
    3939#include "LinearAlgebra/Vector.hpp"
    4040
    41 static QGLSceneNode *createBond(QObject *parent, double distance)
     41static QGLSceneNode *createBond(QObject *parent)
    4242{
    4343   QGLBuilder builder;
    44    QGLCylinder cylinder(.25,.25,.25);
    45    cylinder.setHeight(distance);
     44   QGLCylinder cylinder(.25,.25,1.0,16);
    4645   builder << cylinder;
    4746   QGLSceneNode *n = builder.finalizedSceneNode();
    … …  
    5049}
    5150
    52 GLMoleculeObject_bond::GLMoleculeObject_bond(QObject *parent, const bond *bondref, const double distance, const enum SideOfBond side) :
    53   GLMoleculeObject(createBond(parent, distance), parent),
     51GLMoleculeObject_bond::GLMoleculeObject_bond(QObject *parent, const bond *bondref, const enum SideOfBond side) :
     52  GLMoleculeObject(createBond(parent), parent),
    5453  Observer(std::string("GLMoleculeObject_bond")
    5554      +toString(bondref->leftatom->getId())
    … …  
    6160  // sign on as observer (obtain non-const instance before)
    6261  _bond->signOn(this, BondObservable::BondRemoved);
    63 
    64   Vector Position;
    65   Vector OtherPosition;
     62  _bond->leftatom->signOn(this, AtomObservable::PositionChanged);
     63  _bond->rightatom->signOn(this, AtomObservable::PositionChanged);
     64
    6665  size_t elementno = 0;
    6766  switch (BondSide) {
    6867    case left:
    69       Position = _bond->leftatom->getPosition();
    70       OtherPosition = _bond->rightatom->getPosition();
    7168      if (_bond->leftatom->getType() != NULL) {
    7269        elementno = _bond->leftatom->getType()->getAtomicNumber();
    … …  
    7673      break;
    7774    case right:
    78       Position = _bond->rightatom->getPosition();
    79       OtherPosition = _bond->leftatom->getPosition();
    8075      if (_bond->rightatom->getType() != NULL) {
    8176        elementno = _bond->rightatom->getType()->getAtomicNumber();
    … …  
    9388  QGLMaterial *elementmaterial = getMaterial(elementno);
    9489  setMaterial(elementmaterial);
     90
     91  resetPosition();
     92}
     93
     94GLMoleculeObject_bond::~GLMoleculeObject_bond()
     95{
     96  // sign on as observer (obtain non-const instance before)
     97  _bond->signOff(this, BondObservable::BondRemoved);
     98  _bond->leftatom->signOff(this, AtomObservable::PositionChanged);
     99  _bond->rightatom->signOff(this, AtomObservable::PositionChanged);
     100
     101  LOG(2, "INFO: Destroying  GLMoleculeObject_bond to bond " << *_bond << " and side " << BondSide << ".");
     102}
     103
     104void GLMoleculeObject_bond::update(Observable *publisher)
     105{
     106#ifdef LOG_OBSERVER
     107  observerLog().addMessage() << "++ Update of Observer " << observerLog().getName(this) << " from bond " << *_bond << ".";
     108#endif
     109}
     110
     111void GLMoleculeObject_bond::subjectKilled(Observable *publisher)
     112{
     113  LOG(2, "INFO: Received subjectKilled from " << *_bond << ".");
     114  switch (BondSide) {
     115    case left:
     116      emit BondRemoved(_bond->leftatom->getId(), _bond->rightatom->getId());
     117      break;
     118    case right:
     119      emit BondRemoved(_bond->rightatom->getId(), _bond->leftatom->getId());
     120      break;
     121    default:
     122      ASSERT(0,
     123          "GLMoleculeObject_bond::subjectKilled() - side is not a valid argument: "+toString(BondSide)+".");
     124      break;
     125  }
     126  delete this;
     127}
     128
     129void GLMoleculeObject_bond::recieveNotification(Observable *publisher, Notification_ptr notification)
     130{
     131#ifdef LOG_OBSERVER
     132  observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
     133      << " received notification from bond " << *_bond << " for channel "
     134      << notification->getChannelNo() << ".";
     135#endif
     136  if (publisher == dynamic_cast<const Observable*>(_bond)){
     137    // from the bond
     138    switch (notification->getChannelNo()) {
     139      case BondObservable::BondRemoved:
     140        LOG(2, "INFO: Received notification of BondRemoved from " << *_bond << ".");
     141        switch (BondSide) {
     142          case left:
     143            emit BondRemoved(_bond->leftatom->getId(), _bond->rightatom->getId());
     144            break;
     145          case right:
     146            emit BondRemoved(_bond->rightatom->getId(), _bond->leftatom->getId());
     147            break;
     148          default:
     149            ASSERT(0,
     150                "GLMoleculeObject_bond::recieveNotification() - side is not a valid argument: "+toString(BondSide)+".");
     151            break;
     152        }
     153        delete this;
     154        break;
     155          default:
     156            break;
     157    }
     158  }else{
     159    // from an atom
     160    switch (notification->getChannelNo()) {
     161      case AtomObservable::PositionChanged:
     162        LOG(2, "INFO: Received notification of PositionChanged.");
     163        resetPosition();
     164        emit changed();
     165    }
     166  }
     167}
     168
     169void GLMoleculeObject_bond::resetPosition()
     170{
     171  Vector Position;
     172  Vector OtherPosition;
     173  switch (BondSide) {
     174    case left:
     175      Position = _bond->leftatom->getPosition();
     176      OtherPosition = _bond->rightatom->getPosition();
     177      break;
     178    case right:
     179      Position = _bond->rightatom->getPosition();
     180      OtherPosition = _bond->leftatom->getPosition();
     181      break;
     182    default:
     183      ASSERT(0,
     184          "GLMoleculeObject_bond::resetPosition() - side is not a valid argument: "+toString(BondSide)+".");
     185      break;
     186  }
     187  const double distance =
     188      Position.distance(OtherPosition)/2.;
     189  setScaleZ(distance);
    95190
    96191  // calculate position
    … …  
    123218  setRotationAngle(alpha/M_PI*180.);
    124219}
    125 
    126 GLMoleculeObject_bond::~GLMoleculeObject_bond()
    127 {
    128   // sign on as observer (obtain non-const instance before)
    129   _bond->signOff(this, BondObservable::BondRemoved);
    130 
    131   LOG(2, "INFO: Destroying  GLMoleculeObject_bond to bond " << *_bond << " and side " << BondSide << ".");
    132 }
    133 
    134 void GLMoleculeObject_bond::update(Observable *publisher)
    135 {
    136 #ifdef LOG_OBSERVER
    137   observerLog().addMessage() << "++ Update of Observer " << observerLog().getName(this) << " from bond " << *_bond << ".";
    138 #endif
    139 }
    140 
    141 void GLMoleculeObject_bond::subjectKilled(Observable *publisher)
    142 {
    143   LOG(2, "INFO: Received subjectKilled from " << *_bond << ".");
    144   switch (BondSide) {
    145     case left:
    146       emit BondRemoved(_bond->leftatom->getId(), _bond->rightatom->getId());
    147       break;
    148     case right:
    149       emit BondRemoved(_bond->rightatom->getId(), _bond->leftatom->getId());
    150       break;
    151     default:
    152       ASSERT(0,
    153           "GLMoleculeObject_bond::subjectKilled() - side is not a valid argument: "+toString(BondSide)+".");
    154       break;
    155   }
    156   delete this;
    157 }
    158 
    159 void GLMoleculeObject_bond::recieveNotification(Observable *publisher, Notification_ptr notification)
    160 {
    161 #ifdef LOG_OBSERVER
    162   observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
    163       << " received notification from bond " << *_bond << " for channel "
    164       << notification->getChannelNo() << ".";
    165 #endif
    166   switch (notification->getChannelNo()) {
    167     case BondObservable::BondRemoved:
    168       LOG(2, "INFO: Received notification of BondRemoved from " << *_bond << ".");
    169       switch (BondSide) {
    170         case left:
    171           emit BondRemoved(_bond->leftatom->getId(), _bond->rightatom->getId());
    172           break;
    173         case right:
    174           emit BondRemoved(_bond->rightatom->getId(), _bond->leftatom->getId());
    175           break;
    176         default:
    177           ASSERT(0,
    178               "GLMoleculeObject_bond::recieveNotification() - side is not a valid argument: "+toString(BondSide)+".");
    179           break;
    180       }
    181       delete this;
    182       break;
    183     default:
    184       break;
    185   }
    186 }

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

    rc0ed1e r53059e  
    2828  enum SideOfBond { left, right };
    2929
    30   GLMoleculeObject_bond(QObject *parent, const bond *bondref, const double distance, const enum SideOfBond side);
     30  GLMoleculeObject_bond(QObject *parent, const bond *bondref, const enum SideOfBond side);
    3131  virtual ~GLMoleculeObject_bond();
    3232
    … …  
    4040
    4141private:
     42  void resetPosition();
    4243  const bond *_bond;
    4344  const enum SideOfBond BondSide;

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

    rc0ed1e r53059e  
    2525#include "GLMoleculeObject_atom.hpp"
    2626#include "GLMoleculeObject_bond.hpp"
     27#include "GLMoleculeObject_molecule.hpp"
    2728
    2829#include "CodePatterns/MemDebug.hpp"
    … …  
    7475        Runner != molecules.end();
    7576        Runner++) {
    76       // create molecule
     77
    7778      for (molecule::const_iterator atomiter = (*Runner)->begin();
    7879          atomiter != (*Runner)->end();
    … …  
    109110  AtomsinSceneMap.insert( make_pair(_atom->getId(), atomObject) );
    110111  connect (atomObject, SIGNAL(clicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
     112  connect (atomObject, SIGNAL(changed()), this, SIGNAL(changed()));
    111113  connect (atomObject, SIGNAL(hoverChanged()), this, SIGNAL(changed()));
     114  connect (atomObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
    112115  connect (atomObject, SIGNAL(BondsInserted(const bond *, const GLMoleculeObject_bond::SideOfBond)), this, SLOT(bondInserted(const bond *, const GLMoleculeObject_bond::SideOfBond)));
    113116  //bondsChanged(_atom);
    … …  
    134137}
    135138
     139/** ....
     140 *
     141 */
     142void GLWorldScene::worldSelectionChanged()
     143{
     144  LOG(3, "INFO: GLWorldScene: Received signal selectionChanged.");
     145
     146  const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
     147
     148  if (molecules.size() > 0) {
     149    for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
     150        Runner != molecules.end();
     151        Runner++) {
     152
     153      MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find((*Runner)->getId());
     154      bool isSelected = World::getInstance().isSelected(*Runner);
     155
     156      // molecule selected but not in scene?
     157      if (isSelected && (iter == MoleculesinSceneMap.end())){
     158        // -> create new mesh
     159        GLMoleculeObject_molecule *molObject = new GLMoleculeObject_molecule(this, *Runner);
     160        MoleculesinSceneMap.insert( make_pair((*Runner)->getId(), molObject) );
     161        connect (molObject, SIGNAL(changed()), this, SIGNAL(changed()));
     162        connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
     163        connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
     164        emit changed();
     165        emit changeOccured();
     166      }
     167
     168      // molecule not selected but in scene?
     169      if (!isSelected && (iter != MoleculesinSceneMap.end())){
     170        // -> remove from scene
     171        moleculeRemoved(*Runner);
     172      }
     173
     174    }
     175  }
     176}
     177
     178/** Removes a molecule from the scene.
     179 *
     180 * @param _molecule molecule to remove
     181 */
     182void GLWorldScene::moleculeRemoved(const molecule *_molecule)
     183{
     184  LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_molecule->getId())+".");
     185  MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_molecule->getId());
     186
     187  // only remove if the molecule is in the scene
     188  //  (= is selected)
     189  if (iter != MoleculesinSceneMap.end()){
     190    GLMoleculeObject_molecule *molObject = iter->second;
     191    molObject->disconnect();
     192    MoleculesinSceneMap.erase(iter);
     193    delete molObject;
     194    emit changed();
     195    emit changeOccured();
     196  }
     197}
     198
    136199/** Adds a bond to the scene.
    137200 *
    … …  
    143206  LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
    144207  //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
    145   const double distance =
    146       _bond->leftatom->getPosition().distance(_bond->rightatom->getPosition())/2.;
    147208
    148209  BondIds ids;
    … …  
    161222#endif
    162223  GLMoleculeObject_bond *bondObject =
    163       new GLMoleculeObject_bond(this, _bond, distance, side);
     224      new GLMoleculeObject_bond(this, _bond, side);
    164225  connect (
    165226      bondObject, SIGNAL(BondRemoved(const atomId_t, const atomId_t)),
    166227      this, SLOT(bondRemoved(const atomId_t, const atomId_t)));
     228  connect (bondObject, SIGNAL(changed()), this, SIGNAL(changed()));
    167229  BondsinSceneMap.insert( make_pair(ids, bondObject) );
    168230//    BondIdsinSceneMap.insert( Leftids );

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

    rc0ed1e r53059e  
    2323
    2424#include "GLMoleculeObject_bond.hpp"
     25#include "GLMoleculeObject_molecule.hpp"
    2526
    2627class atom;
     28class molecule;
    2729
    2830class QGLPainter;
    … …  
    3234class GLMoleculeObject;
    3335class GLMoleculeObject_atom;
     36class GLMoleculeObject_molecule;
    3437
    3538/** This class contains a list of all molecules in the world.
    … …  
    4952  void changeMaterials(bool perPixel);
    5053  QGLSceneNode* getAtom(size_t);
     54  QGLSceneNode* getMolecule(size_t);
    5155  QGLSceneNode* getBond(size_t, size_t);
    5256
    … …  
    6872  void atomInserted(const atom *_atom);
    6973  void atomRemoved(const atom *_atom);
     74  void moleculeRemoved(const molecule *_molecule);
     75  void worldSelectionChanged();
    7076  void bondInserted(const bond *_bond, const GLMoleculeObject_bond::SideOfBond side);
    7177  void bondRemoved(const atomId_t leftnr, const atomId_t rightnr);
    … …  
    8086  typedef std::map< atomId_t, GLMoleculeObject_atom* > AtomNodeMap;
    8187  typedef std::map< BondIds , GLMoleculeObject_bond* > BondNodeMap;
     88  typedef std::map< moleculeId_t , GLMoleculeObject_molecule* > MoleculeNodeMap;
    8289  AtomNodeMap AtomsinSceneMap;
    8390  BondNodeMap BondsinSceneMap;
     91  MoleculeNodeMap MoleculesinSceneMap;
    8492};
    8593

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

    rc0ed1e r53059e  
    2626#include "CodePatterns/MemDebug.hpp"
    2727
     28#include "Atom/AtomObserver.hpp"
     29#include "Atom/atom_observable.hpp"
    2830#include "CodePatterns/Log.hpp"
    2931#include "CodePatterns/Observer/Notification.hpp"
    … …  
    4244  connect(this, SIGNAL(atomInserted(const atom *)), worldscene, SLOT(atomInserted(const atom *)));
    4345  connect(this, SIGNAL(atomRemoved(const atom *)), worldscene, SLOT(atomRemoved(const atom *)));
     46  connect(this, SIGNAL(worldSelectionChanged()), worldscene, SLOT(worldSelectionChanged()));
     47  connect(this, SIGNAL(moleculeRemoved(const molecule *)), worldscene, SLOT(moleculeRemoved(const molecule *)));
    4448  connect(this, SIGNAL(changed()), this, SLOT(updateGL()));
    4549
    … …  
    4852  World::getInstance().signOn(this, World::AtomInserted);
    4953  World::getInstance().signOn(this, World::AtomRemoved);
     54  World::getInstance().signOn(this, World::MoleculeInserted);
     55  World::getInstance().signOn(this, World::MoleculeRemoved);
     56  World::getInstance().signOn(this, World::SelectionChanged);
     57  AtomObserver::getInstance().signOn(this, AtomObservable::PositionChanged);
    5058}
    5159
    … …  
    5563  World::getInstance().signOff(this, World::AtomInserted);
    5664  World::getInstance().signOff(this, World::AtomRemoved);
     65  World::getInstance().signOff(this, World::MoleculeInserted);
     66  World::getInstance().signOff(this, World::MoleculeRemoved);
     67  World::getInstance().signOff(this, World::SelectionChanged);
     68  AtomObserver::getInstance().signOff(this, AtomObservable::PositionChanged);
    5769  delete worldscene;
    5870}
    … …  
    7991void GLWorldView::recieveNotification(Observable *publisher, Notification_ptr notification)
    8092{
    81   switch (notification->getChannelNo()) {
    82     case World::AtomInserted:
    83     {
    84       const atom *_atom = World::getInstance().lastChanged<atom>();
    85 #ifdef LOG_OBSERVER
    86       observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that atom "+toString(_atom->getId())+" has been inserted.";
    87 #endif
    88       emit atomInserted(_atom);
    89       break;
     93  if (static_cast<World *>(publisher) == World::getPointer()) {
     94    switch (notification->getChannelNo()) {
     95      case World::AtomInserted:
     96      {
     97        const atom *_atom = World::getInstance().lastChanged<atom>();
     98  #ifdef LOG_OBSERVER
     99        observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that atom "+toString(_atom->getId())+" has been inserted.";
     100  #endif
     101        emit atomInserted(_atom);
     102        break;
     103      }
     104      case World::AtomRemoved:
     105      {
     106        const atom *_atom = World::getInstance().lastChanged<atom>();
     107  #ifdef LOG_OBSERVER
     108        observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that atom "+toString(_atom->getId())+" has been removed.";
     109  #endif
     110        emit atomRemoved(_atom);
     111        break;
     112      }
     113      case World::SelectionChanged:
     114      {
     115  #ifdef LOG_OBSERVER
     116        observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that selection has changed.";
     117  #endif
     118        emit worldSelectionChanged();
     119        break;
     120      }
     121      case World::MoleculeInserted:
     122      {
     123        const molecule *_molecule = World::getInstance().lastChanged<molecule>();
     124  #ifdef LOG_OBSERVER
     125        observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that molecule "+toString(_molecule->getId())+" has been removed.";
     126  #endif
     127        emit moleculeInserted(_molecule);
     128        break;
     129      }
     130      case World::MoleculeRemoved:
     131      {
     132        const molecule *_molecule = World::getInstance().lastChanged<molecule>();
     133  #ifdef LOG_OBSERVER
     134        observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that molecule "+toString(_molecule->getId())+" has been removed.";
     135  #endif
     136        emit moleculeRemoved(_molecule);
     137        break;
     138      }
     139      default:
     140        ASSERT(0, "GLWorldView::recieveNotification() - we cannot get here.");
     141        break;
    90142    }
    91     case World::AtomRemoved:
    92     {
    93       const atom *_atom = World::getInstance().lastChanged<atom>();
    94 #ifdef LOG_OBSERVER
    95       observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that atom "+toString(_atom->getId())+" has been removed.";
    96 #endif
    97       emit atomRemoved(_atom);
    98       break;
     143  } else if (dynamic_cast<AtomObservable *>(publisher) != NULL) {
     144    switch (notification->getChannelNo()) {
     145      case AtomObservable::PositionChanged:
     146      {
     147        const atom *_atom = dynamic_cast<const atom *>(publisher);
     148    #ifdef LOG_OBSERVER
     149        observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that atom "+toString(_atom->getId())+" has changed its position.";
     150    #endif
     151        emit changed();
     152        break;
     153      }
     154      default:
     155        ASSERT(0, "GLWorldView::recieveNotification() - we cannot get here.");
     156        break;
    99157    }
    100     default:
    101       ASSERT(0, "GLWorldView::recieveNotification() - we cannot get here.");
    102       break;
    103   }
     158  } else
     159    ASSERT(0, "GLWorldView::recieveNotification() - received notification from unknown source.");
    104160}
    105161

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

    rc0ed1e r53059e  
    4747  void atomInserted(const atom *_atom);
    4848  void atomRemoved(const atom *_atom);
     49  void moleculeInserted(const molecule *_molecule);
     50  void moleculeRemoved(const molecule *_molecule);
     51  void worldSelectionChanged();
    4952
    5053protected:
    … …  
    5760
    5861  bool changesPresent;
     62  bool processingSelectionChanged; // workaround to prevent a loop in (atom_iterator <-> observer)
    5963};
    6064
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