Changeset 5a9f4c for src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp

Timestamp:

Sep 10, 2014, 7:10:27 PM (10 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:

55736b

Parents:

2b7375

git-author:

Frederik Heber <heber@…> (09/07/14 18:27:04)

git-committer:

Frederik Heber <heber@…> (09/10/14 19:10:27)

Message:

Removed lots of commented-out code from GLWorldView.

File:

• src/UIElements/Views/Qt4/Qt3D/GLWorldView.cpp (modified) (1 diff)

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

@@ -752 +752 @@
   emit hoverChanged(_atom);
 }
-
-
-//#include <GL/glu.h>
-//#include <QtGui/qslider.h>
-//#include <QtGui/qevent.h>
-//
-//#include "ui_dialoglight.h"
-//
-//#include "CodePatterns/MemDebug.hpp"
-//
-//#include <iostream>
-//#include <boost/shared_ptr.hpp>
-//
-//#include "LinearAlgebra/Line.hpp"
-//#include "Atom/atom.hpp"
-//#include "Bond/bond.hpp"
-//#include "Element/element.hpp"
-//#include "molecule.hpp"
-//#include "Element/periodentafel.hpp"
-//#include "World.hpp"
-//
-//#if defined(Q_CC_MSVC)
-//#pragma warning(disable:4305) // init: truncation from const double to float
-//#endif
-//
-//
-//GLMoleculeView::GLMoleculeView(QWidget *parent) :
-//  QGLWidget(parent), Observer("GLMoleculeView"), X(Vector(1,0,0)), Y(Vector(0,1,0)), Z(Vector(0,0,1))
-//{
-//    xRot = yRot = zRot = 0.0;    // default object rotation
-//    scale = 5.;      // default object scale
-//    object = 0;
-//    LightPosition[0] = 0.0f;
-//    LightPosition[1] = 2.0f;
-//    LightPosition[2] = 2.0f;
-//    LightPosition[3] = 0.0f;
-//    LightDiffuse[0] = 0.5f;
-//    LightDiffuse[1] = 0.5f;
-//    LightDiffuse[2] = 0.5f;
-//    LightDiffuse[3] = 0.0f;
-//    LightAmbient[0] = 0.0f;
-//    LightAmbient[1] = 0.0f;
-//    LightAmbient[2] = 0.0f;
-//    LightAmbient[3] = 0.0f;
-//
-//    SelectionColor[0] = 0;
-//    SelectionColor[1] = 128;
-//    SelectionColor[2] = 128;
-//
-//    MultiViewEnabled = true;
-//
-//    isSignaller = false;
-//
-//    World::getInstance().signOn(this);
-//}
-//
-///** Destructor of GLMoleculeView.
-// * Free's the CallList.
-// */
-//GLMoleculeView::~GLMoleculeView()
-//{
-//    makeCurrent();
-//    glDeleteLists( object, 1 );
-//
-//    World::getInstance().signOff(this);
-//}
-//
-///** Paints the conents of the OpenGL window.
-// * Clears the GL buffers, enables lighting and depth.
-// * Window is either quartered (if GLMoleculeView::MultiViewEnabled) and xy, xz, yz planar views
-// * are added. Uses the CallList, constructed during InitializeGL().
-// */
-//void GLMoleculeView::paintGL()
-//{
-//  Vector spot;
-//
-//  glClear (GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT);
-//  glShadeModel(GL_SMOOTH);            // Enable Smooth Shading
-//  glEnable(GL_LIGHTING);              // Enable Light One
-//  glEnable(GL_DEPTH_TEST);            // Enables Depth Testing
-//  glDepthFunc(GL_LEQUAL);              // The Type Of Depth Testing To Do
-//  glHint(GL_PERSPECTIVE_CORRECTION_HINT, GL_NICEST);      // Really Nice Perspective Calculations
-//
-//  // 3d viewport
-//  if (MultiViewEnabled)
-//    glViewport( 0, 0, (GLint)width/2, (GLint)height/2 );
-//  else
-//    glViewport( 0, 0, (GLint)width, (GLint)height );
-//  glMatrixMode( GL_PROJECTION );
-//  glLoadIdentity();
-//  glFrustum( -1.0, 1.0, -1.0, 1.0, 1.0, 50.0 );
-//  glMatrixMode( GL_MODELVIEW );
-//  glLoadIdentity();
-//
-//  // calculate point of view and direction
-//  glTranslated(position[0],position[1],position[2]);
-//  glTranslated(0.0, 0.0, -scale);
-//  glRotated(xRot, 1.0, 0.0, 0.0);
-//  glRotated(yRot, 0.0, 1.0, 0.0);
-//  glRotated(zRot, 0.0, 0.0, 1.0);
-//
-//  // render scene
-//  glCallList(object);
-//
-//  // enable light
-//  glLightfv(GL_LIGHT1, GL_AMBIENT, LightAmbient);       // Setup The Ambient Light
-//  glLightfv(GL_LIGHT1, GL_DIFFUSE, LightDiffuse);       // Setup The Diffuse Light
-//  glLightfv(GL_LIGHT1, GL_POSITION,LightPosition);      // Position The Light
-//  glEnable(GL_LIGHT1);              // Enable Light One
-//
-//  if (MultiViewEnabled) {
-//    // xy view port
-//    glViewport( (GLint)width/2, 0, (GLint)width/2, (GLint)height/2 );
-//    glMatrixMode( GL_PROJECTION );
-//    glLoadIdentity();
-//    glScalef(1./scale, 1./scale,1./scale);
-//    glOrtho(0, width/2, 0, height/2, 0,0);
-//    glMatrixMode( GL_MODELVIEW );
-//    glLoadIdentity();
-//
-//    // calculate point of view and direction
-//    view = position;
-//    spot = Vector(0.,0.,scale);
-//    top = Vector(0.,1.,0.);
-//    gluLookAt(
-//        spot[0], spot[1], spot[2],
-//        view[0], view[1], view[2],
-//        top[0], top[1], top[2]);
-//
-//    // enable light
-//    glLightfv(GL_LIGHT1, GL_AMBIENT, LightAmbient);       // Setup The Ambient Light
-//    glLightfv(GL_LIGHT1, GL_DIFFUSE, LightDiffuse);       // Setup The Diffuse Light
-//    glLightfv(GL_LIGHT1, GL_POSITION,LightPosition);      // Position The Light
-//    glEnable(GL_LIGHT1);              // Enable Light One
-//
-//    // render scene
-//    glCallList(object);
-//
-//    // xz viewport
-//    glViewport( 0, (GLint)height/2, (GLint)width/2, (GLint)height/2 );
-//    glMatrixMode( GL_PROJECTION );
-//    glLoadIdentity();
-//    glScalef(1./scale, 1./scale,1./scale);
-//    glOrtho(0, width/2, 0, height/2, 0,0);
-//    glMatrixMode( GL_MODELVIEW );
-//    glLoadIdentity();
-//
-//    // calculate point of view and direction
-//    view = position;
-//    spot = Vector(0.,scale,0.);
-//    top = Vector(1.,0.,0.);
-//    gluLookAt(
-//        spot[0], spot[1], spot[2],
-//        view[0], view[1], view[2],
-//        top[0], top[1], top[2]);
-//
-//    // enable light
-//    glLightfv(GL_LIGHT1, GL_AMBIENT, LightAmbient);       // Setup The Ambient Light
-//    glLightfv(GL_LIGHT1, GL_DIFFUSE, LightDiffuse);       // Setup The Diffuse Light
-//    glLightfv(GL_LIGHT1, GL_POSITION,LightPosition);      // Position The Light
-//    glEnable(GL_LIGHT1);              // Enable Light One
-//
-//    // render scene
-//    glCallList(object);
-//
-//    //yz viewport
-//    glViewport( (GLint)width/2, (GLint)height/2, (GLint)width/2, (GLint)height/2 );
-//    glMatrixMode( GL_PROJECTION );
-//    glLoadIdentity();
-//    glScalef(1./scale, 1./scale,1./scale);
-//    glOrtho(0, width/2, 0, height/2, 0,0);
-//    glMatrixMode( GL_MODELVIEW );
-//    glLoadIdentity();
-//
-//    // calculate point of view and direction
-//    view= position;
-//    spot = Vector(scale,0.,0.);
-//    top = Vector(0.,1.,0.);
-//    gluLookAt(
-//        spot[0], spot[1], spot[2],
-//        view[0], view[1], view[2],
-//        top[0], top[1], top[2]);
-//
-//    // enable light
-//    glLightfv(GL_LIGHT1, GL_AMBIENT, LightAmbient);       // Setup The Ambient Light
-//    glLightfv(GL_LIGHT1, GL_DIFFUSE, LightDiffuse);       // Setup The Diffuse Light
-//    glLightfv(GL_LIGHT1, GL_POSITION,LightPosition);      // Position The Light
-//    glEnable(GL_LIGHT1);              // Enable Light One
-//
-//    // render scene
-//    glCallList(object);
-//  }
-//  //CoordinatesBar->setText( QString ("X: %1, Y: %2, Z: %3").arg(position[0]).arg(position[1]).arg(position[2]) );
-//}
-//
-////void polarView{GLdouble distance, GLdouble twist,
-////   GLdouble elevation, GLdouble azimuth)
-////{
-////      glTranslated(0.0, 0.0, -distance);
-////      glRotated(-twist, 0.0, 0.0, 1.0);
-////      glRotated(-elevation, 1.0, 0.0, 0.0);
-////      glRotated(azimuth, 0.0, 0.0, 1.0);
-////}
-//
-///** Make a sphere.
-// * \param x position
-// * \param radius radius
-// * \param color[3] color rgb values
-// */
-//void GLMoleculeView::makeSphere(const Vector &x, double radius, const unsigned char color[3])
-//{
-//  float blueMaterial[] = { 255./(float)color[0], 255./(float)color[1], 255./(float)color[2], 1 };  // need to recast from [0,255] with integers into [0,1] with floats
-//  GLUquadricObj* q = gluNewQuadric ();
-//  gluQuadricOrientation(q, GLU_OUTSIDE);
-//
-//  std::cout << "Setting sphere at " << x << " with color r"
-//      << (int)color[0] << ",g" << (int)color[1] << ",b" << (int)color[2] << "." << endl;
-//
-//  glPushMatrix();
-//  glTranslatef( x[0], x[1], x[2]);
-////  glRotatef( xRot, 1.0, 0.0, 0.0);
-////  glRotatef( yRot, 0.0, 1.0, 0.0);
-////  glRotatef( zRot, 0.0, 0.0, 1.0);
-//  glMaterialfv(GL_FRONT_AND_BACK, GL_AMBIENT_AND_DIFFUSE, blueMaterial);
-//  gluSphere (q, (GLdouble)radius, 10, 10);
-//  glPopMatrix();
-//}
-//
-///** Make a cylinder.
-// * \param x origin
-// * \param y direction
-// * \param radius thickness
-// * \param height length
-// * \color[3] color rgb values
-// */
-//void GLMoleculeView::makeCylinder(const Vector &x, const Vector &y, double radius, double height, const unsigned char color[3])
-//{
-//  float blueMaterial[] = { 255./(float)color[0], 255./(float)color[1], 255./(float)color[2], 1 };
-//  GLUquadricObj* q = gluNewQuadric ();
-//  gluQuadricOrientation(q, GLU_OUTSIDE);
-//  Vector a,b;
-//  Vector OtherAxis;
-//  double alpha;
-//  a = x - y;
-//  // construct rotation axis
-//  b = a;
-//  b.VectorProduct(Z);
-//  Line axis(zeroVec, b);
-//  // calculate rotation angle
-//  alpha = a.Angle(Z);
-//  // construct other axis to check right-hand rule
-//  OtherAxis = b;
-//  OtherAxis.VectorProduct(Z);
-//  // assure right-hand rule for the rotation
-//  if (a.ScalarProduct(OtherAxis) < MYEPSILON)
-//    alpha = M_PI-alpha;
-//  // check
-//  Vector a_rotated = axis.rotateVector(a, alpha);
-//  std::cout << "Setting cylinder from "// << x << " to " << y
-//      << a << " to " << a_rotated << " around " << b << " by " << alpha/M_PI*180. << ", respectively, "
-//      << " with color r"
-//      << (int)color[0] << ",g" << (int)color[1] << ",b" << (int)color[2] << "." << endl;
-//
-//  glPushMatrix();
-//  glTranslatef( x[0], x[1], x[2]);
-//  glRotatef( alpha/M_PI*180., b[0], b[1], b[2]);
-//  glMaterialfv(GL_FRONT_AND_BACK, GL_AMBIENT_AND_DIFFUSE, blueMaterial);
-//  gluCylinder (q, (GLdouble)radius, (GLdouble)radius, (GLdouble)height, 10, 10);
-//  glPopMatrix();
-//}
-//
-///** Defines the display CallList.
-// * Goes through all molecules and their atoms and adds spheres for atoms and cylinders
-// * for bonds. Heeds GLMoleculeView::SelectedAtom and GLMoleculeView::SelectedMolecule.
-// */
-//void GLMoleculeView::initializeGL()
-//{
-//  double x[3] = {-1, 0, -10};
-//  unsigned char white[3] = {255,255,255};
-//  Vector Position, OtherPosition;
-//  QSize window = size();
-//  width = window.width();
-//  height = window.height();
-//  std::cout << "Setting width to " << width << " and height to " << height << std::endl;
-//  GLfloat shininess[] = { 0.0 };
-//  GLfloat specular[] = { 0, 0, 0, 1 };
-//  glClearColor(0.0f, 0.0f, 0.0f, 0.0f);     // Let OpenGL clear to black
-//  object = glGenLists(1);
-//  glNewList( object, GL_COMPILE );
-//  glMaterialfv(GL_FRONT_AND_BACK, GL_SPECULAR, specular);
-//  glMaterialfv(GL_FRONT_AND_BACK, GL_SHININESS, shininess);
-//
-//  const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
-//
-//  if (molecules.size() > 0) {
-//    for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
-//        Runner != molecules.end();
-//        Runner++) {
-//      for (molecule::const_iterator atomiter = (*Runner)->begin();
-//          atomiter != (*Runner)->end();
-//          ++atomiter) {
-//        // create atom
-//        const element *ptr = (*atomiter)->getType();
-//        boost::shared_ptr<Vector> MolCenter((*Runner)->DetermineCenterOfGravity());
-//        Position = (*atomiter)->getPosition() - *MolCenter;
-//        const unsigned char* color = NULL;
-//        if ((World::getInstance().isSelected(*atomiter)) || (World::getInstance().isSelected((*Runner))))
-//          color = SelectionColor;
-//        else
-//          color = ptr->getColor();
-//        makeSphere(Position, ptr->getVanDerWaalsRadius()*0.25, color);
-//
-//        // create bonds
-//        const BondList &bonds = (*atomiter)->getListOfBonds();
-//        for (BondList::const_iterator bonditer = bonds.begin();
-//            bonditer != bonds.end();
-//            ++bonditer) {
-//          if ((*bonditer)->leftatom->getId() == (*atomiter)->getId()) {
-//            Position = (*bonditer)->leftatom->getPosition() - *MolCenter;
-//            OtherPosition = (*bonditer)->rightatom->getPosition() - *MolCenter;
-//            const double distance = sqrt(Position.DistanceSquared(OtherPosition))/2.;
-//            const unsigned char *color1 = (*bonditer)->leftatom->getType()->getColor();
-//            const unsigned char *color2 = (*bonditer)->rightatom->getType()->getColor();
-//            makeCylinder(Position, OtherPosition, 0.1, distance, color1);
-//            makeCylinder(OtherPosition, Position, 0.1, distance, color2);
-//          }
-//        }
-//      }
-//    }
-//  } else {
-//    makeSphere( x,1, white);
-//  }
-//  glEndList();
-//}
-//
-//
-///* ================================== SLOTS ============================== */
-//
-///** Initializes some public variables.
-// * \param *ptr pointer to QLabel statusbar
-// */
-//void GLMoleculeView::init(QLabel *ptr)
-//{
-//  StatusBar = ptr;
-//}
-//
-///** Initializes the viewport statusbar.
-// * \param *ptr pointer to QLabel for showing view pointcoordinates.
-// */
-//void GLMoleculeView::initCoordinates(QLabel *ptr)
-//{
-//  CoordinatesBar = ptr;
-//}
-//
-///** Slot to be called when to initialize GLMoleculeView::MolData.
-// */
-//void GLMoleculeView::createView( )
-//{
-//  initializeGL();
-//  updateGL();
-//}
-//
-///** Slot of window is resized.
-// * Copies new width and height to GLMoleculeView::width and GLMoleculeView::height and calls updateGL().
-// * \param w new width of window
-// * \param h new height of window
-// */
-//void GLMoleculeView::resizeGL( int w, int h )
-//{
-//  width = w;
-//  height = h;
-//  updateGL();
-//}
-//
-///** Sets x rotation angle.
-// * sets GLMoleculeView::xRot and calls updateGL().
-// * \param degrees new rotation angle in degrees
-// */
-//void GLMoleculeView::setXRotation( int degrees )
-//{
-//  xRot = (GLfloat)(degrees % 360);
-//  updateGL();
-//}
-//
-//
-///** Sets y rotation angle.
-// * sets GLMoleculeView::yRot and calls updateGL().
-// * \param degrees new rotation angle in degrees
-// */
-//void GLMoleculeView::setYRotation( int degrees )
-//{
-//  yRot = (GLfloat)(degrees % 360);
-//  updateGL();
-//}
-//
-//
-///** Sets z rotation angle.
-// * sets GLMoleculeView::zRot and calls updateGL().
-// * \param degrees new rotation angle in degrees
-// */
-//void GLMoleculeView::setZRotation( int degrees )
-//{
-//  zRot = (GLfloat)(degrees % 360);
-//  updateGL();
-//}
-//
-///** Sets the scale of the scene.
-// * sets GLMoleculeView::scale and calls updateGL().
-// * \param distance distance divided by 100 is the new scale
-// */
-//void GLMoleculeView::setScale( int distance )
-//{
-//  scale = (GLfloat)(distance / 100.);
-//  updateGL();
-//}
-//
-///** Update the ambient light.
-// * \param light[4] light strength per axis and position (w)
-// */
-//void GLMoleculeView::setLightAmbient( int *light )
-//{
-//  for(int i=0;i<4;i++)
-//    LightAmbient[i] = light[i];
-//  updateGL();
-//}
-//
-///** Update the diffuse light.
-// * \param light[4] light strength per axis and position (w)
-// */
-//void GLMoleculeView::setLightDiffuse( int *light )
-//{
-//  for(int i=0;i<4;i++)
-//    LightDiffuse[i] = light[i];
-//  updateGL();
-//}
-//
-///** Update the position of light.
-// * \param light[4] light strength per axis and position (w)
-// */
-//void GLMoleculeView::setLightPosition( int *light )
-//{
-//  for(int i=0;i<4;i++)
-//    LightPosition[i] = light[i];
-//  updateGL();
-//}
-//
-///** Toggles the boolean GLMoleculeView::MultiViewEnabled.
-// * Flips the boolean and calls updateGL().
-// */
-//void GLMoleculeView::toggleMultiViewEnabled ( )
-//{
-//  MultiViewEnabled = !MultiViewEnabled;
-//  cout << "Setting MultiView to " << MultiViewEnabled << "." << endl;
-//  updateGL();
-//}
-//
-///** Launch a dialog to configure the lights.
-// */
-//void GLMoleculeView::createDialogLight()
-//{
-////  Ui_DialogLight *Lights = new Ui_DialogLight();
-////  if (Lights == NULL)
-////    return;
-////  // Set up the dynamic dialog here
-////  QLineEdit *Field = NULL;
-////  Field = Lights->findChild<QLineEdit *>("LightPositionX");
-////  if (Field) Field->setText( QString("%1").arg(LightPosition[0]) );
-////  Field = Lights->findChild<QLineEdit *>("LightPositionY");
-////  if (Field) Field->setText( QString("%1").arg(LightPosition[1]) );
-////  Field = Lights->findChild<QLineEdit *>("LightPositionZ");
-////  if (Field) Field->setText( QString("%1").arg(LightPosition[2]) );
-////  Field = Lights->findChild<QLineEdit *>("LightPositionW");
-////  if (Field) Field->setText( QString("%1").arg(LightPosition[3]) );
-////
-////  Field = Lights->findChild<QLineEdit *>("LightDiffuseX");
-////  if (Field) Field->setText( QString("%1").arg(LightDiffuse[0]) );
-////  Field = Lights->findChild<QLineEdit *>("LightDiffuseY");
-////  if (Field) Field->setText( QString("%1").arg(LightDiffuse[1]) );
-////  Field = Lights->findChild<QLineEdit *>("LightDiffuseZ");
-////  if (Field) Field->setText( QString("%1").arg(LightDiffuse[2]) );
-////  Field = Lights->findChild<QLineEdit *>("LightDiffuseW");
-////  if (Field) Field->setText( QString("%1").arg(LightDiffuse[3]) );
-////
-////  Field = Lights->findChild<QLineEdit *>("LightAmbientX");
-////  if (Field) Field->setText( QString("%1").arg(LightAmbient[0]) );
-////  Field = Lights->findChild<QLineEdit *>("LightAmbientY");
-////  if (Field) Field->setText( QString("%1").arg(LightAmbient[1]) );
-////  Field = Lights->findChild<QLineEdit *>("LightAmbientZ");
-////  if (Field) Field->setText( QString("%1").arg(LightAmbient[2]) );
-////  Field = Lights->findChild<QLineEdit *>("LightAmbientW");
-////  if (Field) Field->setText( QString("%1").arg(LightAmbient[3]) );
-////
-////  if ( Lights->exec() ) {
-////    //cout << "User accepted.\n";
-////    // The user accepted, act accordingly
-////    Field = Lights->findChild<QLineEdit *>("LightPositionX");
-////    if (Field) LightPosition[0] = Field->text().toDouble();
-////    Field = Lights->findChild<QLineEdit *>("LightPositionY");
-////    if (Field) LightPosition[1] = Field->text().toDouble();
-////    Field = Lights->findChild<QLineEdit *>("LightPositionZ");
-////    if (Field) LightPosition[2] = Field->text().toDouble();
-////    Field = Lights->findChild<QLineEdit *>("LightPositionW");
-////    if (Field) LightPosition[3] = Field->text().toDouble();
-////
-////    Field = Lights->findChild<QLineEdit *>("LightDiffuseX");
-////    if (Field) LightDiffuse[0] = Field->text().toDouble();
-////    Field = Lights->findChild<QLineEdit *>("LightDiffuseY");
-////    if (Field) LightDiffuse[1] = Field->text().toDouble();
-////    Field = Lights->findChild<QLineEdit *>("LightDiffuseZ");
-////    if (Field) LightDiffuse[2] = Field->text().toDouble();
-////    Field = Lights->findChild<QLineEdit *>("LightDiffuseW");
-////    if (Field) LightDiffuse[3] = Field->text().toDouble();
-////
-////    Field = Lights->findChild<QLineEdit *>("LightAmbientX");
-////    if (Field) LightAmbient[0] = Field->text().toDouble();
-////    Field = Lights->findChild<QLineEdit *>("LightAmbientY");
-////    if (Field) LightAmbient[1] = Field->text().toDouble();
-////    Field = Lights->findChild<QLineEdit *>("LightAmbientZ");
-////    if (Field) LightAmbient[2] = Field->text().toDouble();
-////    Field = Lights->findChild<QLineEdit *>("LightAmbientW");
-////    if (Field) LightAmbient[3] = Field->text().toDouble();
-////    updateGL();
-////  } else {
-////    //cout << "User reclined.\n";
-////  }
-////  delete(Lights);
-//}
-//
-///** Slot for event of pressed mouse button.
-// * Switch discerns between buttons and stores position of event in GLMoleculeView::LeftButtonPos,
-// * GLMoleculeView::MiddleButtonPos or GLMoleculeView::RightButtonPos.
-// * \param *event structure containing information of the event
-// */
-//void GLMoleculeView::mousePressEvent(QMouseEvent *event)
-//{
-//  std::cout << "MousePressEvent." << endl;
-//  QPoint *pos = NULL;
-//  switch (event->button()) {  // get the right array
-//    case Qt::LeftButton:
-//      pos = &LeftButtonPos;
-//      std::cout << "Left Button" << endl;
-//      break;
-//    case Qt::MidButton:
-//      pos = &MiddleButtonPos;
-//      std::cout << "Middle Button" << endl;
-//      break;
-//    case Qt::RightButton:
-//      pos = &RightButtonPos;
-//      std::cout << "Right Button" << endl;
-//      break;
-//    default:
-//      break;
-//  }
-//  if (pos) {    // store the position
-//    pos->setX(event->pos().x());
-//    pos->setY(event->pos().y());
-//    std::cout << "Stored src position is (" << pos->x() << "," << pos->y() << ")." << endl;
-//  } else {
-//    std::cout << "pos is NULL." << endl;
-//  }
-//}
-//
-///** Slot for event of pressed mouse button.
-// * Switch discerns between buttons:
-// * -# Left Button: Rotates the view of the GLMoleculeView, relative to GLMoleculeView::LeftButtonPos.
-// * -# Middle Button: nothing
-// * -# Right Button: Shifts the selected molecule or atom, relative to GLMoleculeView::RightButtonPos.
-// * \param *event structure containing information of the event
-// */
-//void GLMoleculeView::mouseReleaseEvent(QMouseEvent *event)
-//{
-//  std::cout << "MouseReleaseEvent." << endl;
-//  QPoint *srcpos = NULL;
-//  QPoint destpos = event->pos();
-//  int Width = (MultiViewEnabled) ? width/2 : width;
-//  int Height = (MultiViewEnabled) ? height/2 : height;
-//  std::cout << "Received dest position is (" << destpos.x() << "," << destpos.y() << ")." << endl;
-//  switch (event->button()) {  // get the right array
-//    case Qt::LeftButton:  // LeftButton rotates the view
-//      srcpos = &LeftButtonPos;
-//      std::cout << "Left Button" << endl;
-//      if (srcpos) {    // subtract the position and act
-//        std::cout << "Stored src position is (" << srcpos->x() << "," << srcpos->y() << ")." << endl;
-//        destpos -= *srcpos;
-//        std::cout << "Resulting diff position is (" << destpos.x() << "," << destpos.y() << ")." << endl;
-//        std::cout << "Width and Height are " << Width << "," << Height << "." << endl;
-//
-//        int pos = (int)floor((double)srcpos->x()/(double)Width) + ((int)floor((double)srcpos->y()/(double)Height))*2;
-//        if ((MultiViewEnabled) && (pos != 2)) { // means four regions, and we are in a shifting one
-//          // switch between three regions
-//          // decide into which of the four screens the initial click has been made
-//          std::cout << "Position is " << pos << "." << endl;
-//          switch(pos) {
-//            case 0:  // lower left = xz
-//              position[0] += -destpos.y()/100.;
-//              position[2] += destpos.x()/100.;
-//              break;
-//            case 1: // lower right = yz
-//              position[1] += -destpos.y()/100.;
-//              position[2] += -destpos.x()/100.;
-//              break;
-//            case 2:  // upper left = projected
-//              std::cout << "This is impossible: Shifting in the projected region, we should rotate!." << endl;
-//              break;
-//            case 3:  // upper right = xy
-//              position[0] += destpos.x()/100.;
-//              position[1] += -destpos.y()/100.;
-//              break;
-//            default:
-//              std::cout << "click was not in any of the four regions." << endl;
-//              break;
-//          }
-//          updateGL();
-//        } else { // we are in rotation region
-//          QWidget *Parent = parentWidget();
-//          QSlider *sliderX = Parent->findChild<QSlider *>("sliderX");
-//          QSlider *sliderY = Parent->findChild<QSlider *>("sliderY");
-//          std::cout << sliderX << " and " << sliderY << endl;
-//          if (sliderX) {
-//            int xrange = sliderX->maximum() - sliderX->minimum();
-//            double xValue = ((destpos.x() + Width) % Width);
-//            xValue *= (double)xrange/(double)Width;
-//            xValue += sliderX->value();
-//            int xvalue = (int) xValue % xrange;
-//            std::cout << "Setting x to " << xvalue << " within range " << xrange << "." << endl;
-//            setXRotation(xvalue);
-//            sliderX->setValue(xvalue);
-//          } else {
-//            std::cout << "sliderX is NULL." << endl;
-//          }
-//          if (sliderY) {
-//            int yrange = sliderY->maximum() - sliderY->minimum();
-//            double yValue = ((destpos.y() + Height) % Height);
-//            yValue *= (double)yrange/(double)Height;
-//            yValue += sliderY->value();
-//            int yvalue = (int) yValue % yrange;
-//            std::cout << "Setting y to " << yvalue << " within range " << yrange << "." << endl;
-//            setYRotation(yvalue);
-//            sliderY->setValue(yvalue);
-//          } else {
-//            std::cout << "sliderY is NULL." << endl;
-//          }
-//        }
-//      } else {
-//        std::cout << "srcpos is NULL." << endl;
-//      }
-//      break;
-//
-//    case Qt::MidButton: // MiddleButton has no function so far
-//      srcpos = &MiddleButtonPos;
-//      std::cout << "Middle Button" << endl;
-//      if (srcpos) {    // subtract the position and act
-//        QWidget *Parent = parentWidget();
-//        QSlider *sliderZ = Parent->findChild<QSlider *>("sliderZ");
-//        QSlider *sliderScale = Parent->findChild<QSlider *>("sliderScale");
-//        std::cout << sliderZ << " and " << sliderScale << endl;
-//        std::cout << "Stored src position is (" << srcpos->x() << "," << srcpos->y() << ")." << endl;
-//        destpos -= *srcpos;
-//        std::cout << "Resulting diff position is (" << destpos.x() << "," << destpos.y() << ")." << endl;
-//        std::cout << "Width and Height are " << Width << "," << Height << "." << endl;
-//        if (sliderZ) {
-//          int xrange = sliderZ->maximum() - sliderZ->minimum();
-//          double xValue = ((destpos.x() + Width) % Width);
-//          xValue *= (double)xrange/(double)Width;
-//          xValue += sliderZ->value();
-//          int xvalue = (int) xValue % xrange;
-//          std::cout << "Setting x to " << xvalue << " within range " << xrange << "." << endl;
-//          setZRotation(xvalue);
-//          sliderZ->setValue(xvalue);
-//        } else {
-//          std::cout << "sliderZ is NULL." << endl;
-//        }
-//        if (sliderScale) {
-//          int yrange = sliderScale->maximum() - sliderScale->minimum();
-//          double yValue = ((destpos.y() + Height) % Height);
-//          yValue *= (double)yrange/(double)Height;
-//          yValue += sliderScale->value();
-//          int yvalue = (int) yValue % yrange;
-//          std::cout << "Setting y to " << yvalue << " within range " << yrange << "." << endl;
-//          setScale(yvalue);
-//          sliderScale->setValue(yvalue);
-//        } else {
-//          std::cout << "sliderScale is NULL." << endl;
-//        }
-//      } else {
-//        std::cout << "srcpos is NULL." << endl;
-//      }
-//      break;
-//      break;
-//
-//    case Qt::RightButton:  // RightButton moves eitstdher the selected molecule or atom
-//      srcpos = &RightButtonPos;
-//      std::cout << "Right Button" << endl;
-//      if (srcpos) {    // subtract the position and act
-//        std::cout << "Stored src position is (" << srcpos->x() << "," << srcpos->y() << ")." << endl;
-//        destpos -= *srcpos;
-//        std::cout << "Resulting diff position is (" << destpos.x() << "," << destpos.y() << ")." << endl;
-//        std::cout << "Width and Height are " << Width << "," << Height << "." << endl;
-//        if (MultiViewEnabled) {
-//          // which vector to change
-//          Vector SelectedPosition;
-//          const std::vector<atom*> &SelectedAtoms = World::getInstance().getSelectedAtoms();
-//          const std::vector<molecule*> &SelectedMolecules = World::getInstance().getSelectedMolecules();
-//          if (SelectedMolecules.size()) {
-//            if (SelectedAtoms.size())
-//              SelectedPosition = (*SelectedAtoms.begin())->getPosition();
-//            else
-//              SelectedPosition = (*(*SelectedMolecules.begin())->begin())->getPosition();
-//          }
-//          // decide into which of the four screens the initial click has been made
-//          int pos = (int)floor((double)srcpos->x()/(double)Width) + ((int)floor((double)srcpos->y()/(double)Height))*2;
-//          if (!SelectedPosition.IsZero()) {
-//            std::cout << "Position is " << pos << "." << endl;
-//            switch(pos) {
-//              case 0:  // lower left = xz
-//                SelectedPosition[0] += -destpos.y()/100.;
-//                SelectedPosition[2] += destpos.x()/100.;
-//                break;
-//              case 1: // lower right = yz
-//                SelectedPosition[1] += -destpos.y()/100.;
-//                SelectedPosition[2] += -destpos.x()/100.;
-//                break;
-//              case 2:  // upper left = projected
-//                SelectedPosition[0] += destpos.x()/100.;
-//                SelectedPosition[1] += destpos.y()/100.;
-//                SelectedPosition[2] += destpos.y()/100.;
-//                break;
-//              case 3:  // upper right = xy
-//                SelectedPosition[0] += destpos.x()/100.;
-//                SelectedPosition[1] += -destpos.y()/100.;
-//                break;
-//              default:
-//                std::cout << "click was not in any of the four regions." << endl;
-//                break;
-//            }
-//          } else {
-//            std::cout << "Nothing selected." << endl;
-//          }
-//          // update Tables
-//          if (SelectedMolecules.size()) {
-//            isSignaller = true;
-//            if (SelectedAtoms.size())
-//              emit notifyAtomChanged( (*SelectedMolecules.begin()), (*SelectedAtoms.begin()), AtomPosition);
-//            else
-//              emit notifyMoleculeChanged( (*SelectedMolecules.begin()), MoleculePosition );
-//          }
-//          // update graphic
-//          initializeGL();
-//          updateGL();
-//        } else {
-//          cout << "MultiView is not enabled." << endl;
-//        }
-//      } else {
-//        cout << "srcpos is NULL." << endl;
-//      }
-//  break;
-//
-//    default:
-//      break;
-//  }
-//}
-//
-///* ======================================== SLOTS ================================ */
-//
-///** Hear announcement of selected molecule.
-// * \param *mol pointer to selected molecule
-// */
-//void GLMoleculeView::hearMoleculeSelected(molecule *mol)
-//{
-//  if (isSignaller) { // if we emitted the signal, return
-//    isSignaller = false;
-//    return;
-//  }
-//  initializeGL();
-//  updateGL();
-//};
-//
-///** Hear announcement of selected atom.
-// * \param *mol pointer to molecule containing atom
-// * \param *Walker pointer to selected atom
-// */
-//void GLMoleculeView::hearAtomSelected(molecule *mol, atom *Walker)
-//{
-//  if (isSignaller) { // if we emitted the signal, return
-//    isSignaller = false;
-//    return;
-//  }
-//  initializeGL();
-//  updateGL();
-//};
-//
-///** Hear announcement of changed molecule.
-// * \param *mol pointer to changed molecule
-// * \param type of change
-// */
-//void GLMoleculeView::hearMoleculeChanged(molecule *mol, enum ChangesinMolecule type)
-//{
-//  if (isSignaller) { // if we emitted the signal, return
-//    isSignaller = false;
-//    return;
-//  }
-//  initializeGL();
-//  updateGL();
-//};
-//
-///** Hear announcement of changed atom.
-// * \param *mol pointer to molecule containing atom
-// * \param *Walker pointer to changed atom
-// * \param type type of change
-// */
-//void GLMoleculeView::hearAtomChanged(molecule *mol, atom *Walker, enum ChangesinAtom type)
-//{
-//  if (isSignaller) { // if we emitted the signal, return
-//    isSignaller = false;
-//    return;
-//  }
-//  initializeGL();
-//  updateGL();
-//};
-//
-///** Hear announcement of changed element.
-// * \param *Runner pointer to changed element
-// * \param type of change
-// */
-//void GLMoleculeView::hearElementChanged(element *Runner, enum ChangesinElement type)
-//{
-//  if (isSignaller) { // if we emitted the signal, return
-//    isSignaller = false;
-//    return;
-//  }
-//  switch(type) {
-//    default:
-//    case ElementName:
-//    case ElementSymbol:
-//    case ElementMass:
-//    case ElementValence:
-//    case ElementZ:
-//      break;
-//    case ElementCovalent:
-//    case ElementVanderWaals:
-//      initializeGL();
-//      updateGL();
-//      break;
-//  }
-//};
-//
-///** Hear announcement of added molecule.
-// * \param *mol pointer to added molecule
-// */
-//void GLMoleculeView::hearMoleculeAdded(molecule *mol)
-//{
-//  if (isSignaller) { // if we emitted the signal, return
-//    isSignaller = false;
-//    return;
-//  }
-//  initializeGL();
-//  updateGL();
-//};
-//
-///** Hear announcement of added atom.
-// * \param *mol pointer to molecule containing atom
-// * \param *Walker pointer to added atom
-// */
-//void GLMoleculeView::hearAtomAdded(molecule *mol, atom *Walker)
-//{
-//  if (isSignaller) { // if we emitted the signal, return
-//    isSignaller = false;
-//    return;
-//  }
-//  initializeGL();
-//  updateGL();
-//};
-//
-///** Hear announcement of removed molecule.
-// * \param *mol pointer to removed molecule
-// */
-//void GLMoleculeView::hearMoleculeRemoved(molecule *mol)
-//{
-//  if (isSignaller) { // if we emitted the signal, return
-//    isSignaller = false;
-//    return;
-//  }
-//  initializeGL();
-//  updateGL();
-//};
-//
-///** Hear announcement of removed atom.
-// * \param *mol pointer to molecule containing atom
-// * \param *Walker pointer to removed atom
-// */
-//void GLMoleculeView::hearAtomRemoved(molecule *mol, atom *Walker)
-//{
-//  if (isSignaller) { // if we emitted the signal, return
-//    isSignaller = false;
-//    return;
-//  }
-//  initializeGL();
-//  updateGL();
-//};
-//
-//void GLMoleculeView::update(Observable *publisher)
-//{
-//  initializeGL();
-//  updateGL();
-//}
-//
-///**
-// * This method is called when a special named change
-// * of the Observable occured
-// */
-//void GLMoleculeView::recieveNotification(Observable *publisher, Notification_ptr notification)
-//{
-//  initializeGL();
-//  updateGL();
-//}
-//
-///**
-// * This method is called when the observed object is destroyed.
-// */
-//void GLMoleculeView::subjectKilled(Observable *publisher)
-//{
-//
-//}
-//
-//
-//// new stuff
-//
-///** Returns the ref to the Material for element No \a from the map.
-// *
-// * \note We create a new one if the element is missing.
-// *
-// * @param no element no
-// * @return ref to QGLMaterial
-// */
-//QGLMaterial* GLMoleculeView::getMaterial(size_t no)
-//{
-//  if (ElementNoMaterialMap.find(no) != ElementNoMaterialMap.end()){
-//    // get present one
-//
-//  } else {
-//    ASSERT( (no >= 0) && (no < MAX_ELEMENTS),
-//        "GLMoleculeView::getMaterial() - Element no "+toString(no)+" is invalid.");
-//    // create new one
-//    LOG(1, "Creating new material for element "+toString(no)+".");
-//    QGLMaterial *newmaterial = new QGLMaterial(this);
-//    periodentafel *periode = World::getInstance().getPeriode();
-//    element *desiredelement = periode->FindElement(no);
-//    ASSERT(desiredelement != NULL,
-//        "GLMoleculeView::getMaterial() - desired element "+toString(no)+" not present in periodentafel.");
-//    const unsigned char* color = desiredelement->getColor();
-//    newmaterial->setAmbientColor( QColor(color[0], color[1], color[2]) );
-//    newmaterial->setSpecularColor( QColor(60, 60, 60) );
-//    newmaterial->setShininess( QColor(128) );
-//    ElementNoMaterialMap.insert( no, newmaterial);
-//  }
-//}
-//
-//QGLSceneNode* GLMoleculeView::getAtom(size_t no)
-//{
-//  // first some sensibility checks
-//  ASSERT(World::getInstance().getAtom(AtomById(no)) != NULL,
-//      "GLMoleculeView::getAtom() - desired atom "
-//      +toString(no)+" not present in the World.");
-//  ASSERT(AtomsinSceneMap.find(no) != AtomsinSceneMap.end(),
-//      "GLMoleculeView::getAtom() - desired atom "
-//      +toString(no)+" not present in the AtomsinSceneMap.");
-//
-//  return AtomsinSceneMap[no];
-//}
-//
-//QGLSceneNode* GLMoleculeView::getBond(size_t leftno, size_t rightno)
-//{
-//  // first some sensibility checks
-//  ASSERT(World::getInstance().getAtom(AtomById(leftno)) != NULL,
-//      "GLMoleculeView::getAtom() - desired atom "
-//      +toString(leftno)+" of bond not present in the World.");
-//  ASSERT(World::getInstance().getAtom(AtomById(rightno)) != NULL,
-//      "GLMoleculeView::getAtom() - desired atom "
-//      +toString(rightno)+" of bond not present in the World.");
-//  ASSERT(AtomsinSceneMap.find(leftno) != AtomsinSceneMap.end(),
-//      "GLMoleculeView::getAtom() - desired atom "
-//      +toString(leftno)+" of bond not present in the AtomsinSceneMap.");
-//  ASSERT(AtomsinSceneMap.find(rightno) != AtomsinSceneMap.end(),
-//      "GLMoleculeView::getAtom() - desired atom "
-//      +toString(rightno)+" of bond not present in the AtomsinSceneMap.");
-//  ASSERT(leftno == rightno,
-//      "GLMoleculeView::getAtom() - bond must not be between the same atom: "
-//      +toString(leftno)+" == "+toString(rightno)+".");
-//
-//  // then return with smaller index first
-//  if (leftno > rightno)
-//    return AtomsinSceneMap[ make_pair(rightno, leftno) ];
-//  else
-//    return AtomsinSceneMap[ make_pair(leftno, rightno) ];
-//}
-//