| [d238e7] | 1 | /*
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 | 2 |  * Project: MoleCuilder
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 | 3 |  * Description: creates and alters molecular systems
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| [0aa122] | 4 |  * Copyright (C)  2010-2012 University of Bonn. All rights reserved.
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| [d238e7] | 5 |  * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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 | 6 |  */
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 | 7 | 
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 | 8 | /*
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 | 9 |  * GLWorldView.cpp
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 | 10 |  *
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 | 11 |  *  Created on: Aug 1, 2010
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 | 12 |  *      Author: heber
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 | 13 |  */
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 | 14 | 
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 | 15 | // include config.h
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 | 16 | #ifdef HAVE_CONFIG_H
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 | 17 | #include <config.h>
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 | 18 | #endif
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 | 19 | 
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 | 20 | #include "GLWorldView.hpp"
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 | 21 | 
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 | 22 | #include <Qt/qevent.h>
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 | 23 | 
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| [907636] | 24 | #include "GLWorldScene.hpp"
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| [d238e7] | 25 | 
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 | 26 | #include "CodePatterns/MemDebug.hpp"
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 | 27 | 
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| [53059e] | 28 | #include "Atom/AtomObserver.hpp"
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 | 29 | #include "Atom/atom_observable.hpp"
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| [7188b1] | 30 | #include "CodePatterns/Log.hpp"
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| [02ce36] | 31 | #include "CodePatterns/Observer/Notification.hpp"
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| [7188b1] | 32 | #include "World.hpp"
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 | 33 | 
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| [d238e7] | 34 | GLWorldView::GLWorldView(QWidget *parent)
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| [65487f] | 35 |   : QGLView(parent), Observer("GLWorldView"), worldscene(NULL), changesPresent(false)
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| [d238e7] | 36 | {
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| [65487f] | 37 |   worldscene = new GLWorldScene(this);
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| [d238e7] | 38 | 
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| [65487f] | 39 |   setOption(QGLView::ObjectPicking, true);
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| [d238e7] | 40 | 
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| [65487f] | 41 |   connect(worldscene, SIGNAL(changeOccured()), this, SLOT(changeSignalled()));
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 | 42 |   connect(worldscene, SIGNAL(changed()), this, SIGNAL(changed()));
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 | 43 |   connect(this, SIGNAL(atomInserted(const atom *)), worldscene, SLOT(atomInserted(const atom *)));
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 | 44 |   connect(this, SIGNAL(atomRemoved(const atom *)), worldscene, SLOT(atomRemoved(const atom *)));
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| [3927ef] | 45 |   connect(this, SIGNAL(worldSelectionChanged()), worldscene, SLOT(worldSelectionChanged()));
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| [c67518] | 46 |   connect(this, SIGNAL(moleculeRemoved(const molecule *)), worldscene, SLOT(moleculeRemoved(const molecule *)));
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| [65487f] | 47 |   connect(this, SIGNAL(changed()), this, SLOT(updateGL()));
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| [7188b1] | 48 | 
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| [65487f] | 49 |   // sign on to changes in the world
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 | 50 |   World::getInstance().signOn(this);
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| [02ce36] | 51 |   World::getInstance().signOn(this, World::AtomInserted);
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 | 52 |   World::getInstance().signOn(this, World::AtomRemoved);
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| [53059e] | 53 |   World::getInstance().signOn(this, World::MoleculeInserted);
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| [c67518] | 54 |   World::getInstance().signOn(this, World::MoleculeRemoved);
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| [3927ef] | 55 |   World::getInstance().signOn(this, World::SelectionChanged);
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| [53059e] | 56 |   AtomObserver::getInstance().signOn(this, AtomObservable::PositionChanged);
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| [d238e7] | 57 | }
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 | 58 | 
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| [04f017] | 59 | GLWorldView::~GLWorldView()
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 | 60 | {
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| [9c18e4] | 61 |   World::getInstance().signOff(this);
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| [02ce36] | 62 |   World::getInstance().signOff(this, World::AtomInserted);
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 | 63 |   World::getInstance().signOff(this, World::AtomRemoved);
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| [53059e] | 64 |   World::getInstance().signOff(this, World::MoleculeInserted);
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| [c67518] | 65 |   World::getInstance().signOff(this, World::MoleculeRemoved);
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| [3927ef] | 66 |   World::getInstance().signOff(this, World::SelectionChanged);
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| [53059e] | 67 |   AtomObserver::getInstance().signOff(this, AtomObservable::PositionChanged);
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| [04f017] | 68 |   delete worldscene;
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 | 69 | }
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 | 70 | 
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| [7188b1] | 71 | /**
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 | 72 |  * Update operation which can be invoked by the observable (which should be the
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 | 73 |  * change tracker here).
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 | 74 |  */
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 | 75 | void GLWorldView::update(Observable *publisher)
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 | 76 | {
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 | 77 |   emit changed();
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 | 78 | }
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 | 79 | 
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 | 80 | /**
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 | 81 |  * The observable can tell when it dies.
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 | 82 |  */
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 | 83 | void GLWorldView::subjectKilled(Observable *publisher) {}
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 | 84 | 
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 | 85 | /** Listen to specific changes to the world.
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 | 86 |  *
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 | 87 |  * @param publisher ref to observable.
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 | 88 |  * @param notification type of notification
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 | 89 |  */
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 | 90 | void GLWorldView::recieveNotification(Observable *publisher, Notification_ptr notification)
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 | 91 | {
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| [53059e] | 92 |   if (static_cast<World *>(publisher) == World::getPointer()) {
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 | 93 |     switch (notification->getChannelNo()) {
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 | 94 |       case World::AtomInserted:
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 | 95 |       {
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 | 96 |         const atom *_atom = World::getInstance().lastChanged<atom>();
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 | 97 |   #ifdef LOG_OBSERVER
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 | 98 |         observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that atom "+toString(_atom->getId())+" has been inserted.";
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 | 99 |   #endif
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 | 100 |         emit atomInserted(_atom);
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 | 101 |         break;
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 | 102 |       }
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 | 103 |       case World::AtomRemoved:
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 | 104 |       {
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 | 105 |         const atom *_atom = World::getInstance().lastChanged<atom>();
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 | 106 |   #ifdef LOG_OBSERVER
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 | 107 |         observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that atom "+toString(_atom->getId())+" has been removed.";
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 | 108 |   #endif
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 | 109 |         emit atomRemoved(_atom);
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 | 110 |         break;
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 | 111 |       }
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 | 112 |       case World::SelectionChanged:
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 | 113 |       {
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 | 114 |   #ifdef LOG_OBSERVER
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 | 115 |         observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that selection has changed.";
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 | 116 |   #endif
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 | 117 |         emit worldSelectionChanged();
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 | 118 |         break;
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 | 119 |       }
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 | 120 |       case World::MoleculeInserted:
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 | 121 |       {
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 | 122 |         const molecule *_molecule = World::getInstance().lastChanged<molecule>();
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 | 123 |   #ifdef LOG_OBSERVER
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 | 124 |         observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that molecule "+toString(_molecule->getId())+" has been removed.";
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 | 125 |   #endif
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 | 126 |         emit moleculeInserted(_molecule);
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 | 127 |         break;
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 | 128 |       }
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 | 129 |       case World::MoleculeRemoved:
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 | 130 |       {
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 | 131 |         const molecule *_molecule = World::getInstance().lastChanged<molecule>();
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 | 132 |   #ifdef LOG_OBSERVER
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 | 133 |         observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that molecule "+toString(_molecule->getId())+" has been removed.";
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 | 134 |   #endif
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 | 135 |         emit moleculeRemoved(_molecule);
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 | 136 |         break;
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 | 137 |       }
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 | 138 |       default:
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 | 139 |         ASSERT(0, "GLWorldView::recieveNotification() - we cannot get here.");
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 | 140 |         break;
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| [7188b1] | 141 |     }
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| [53059e] | 142 |   } else if (dynamic_cast<AtomObservable *>(publisher) != NULL) {
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 | 143 |     switch (notification->getChannelNo()) {
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 | 144 |       case AtomObservable::PositionChanged:
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 | 145 |       {
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 | 146 |         const atom *_atom = dynamic_cast<const atom *>(publisher);
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 | 147 |     #ifdef LOG_OBSERVER
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 | 148 |         observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that atom "+toString(_atom->getId())+" has changed its position.";
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 | 149 |     #endif
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 | 150 |         emit changed();
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 | 151 |         break;
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 | 152 |       }
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 | 153 |       default:
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 | 154 |         ASSERT(0, "GLWorldView::recieveNotification() - we cannot get here.");
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 | 155 |         break;
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| [7188b1] | 156 |     }
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| [53059e] | 157 |   } else
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 | 158 |     ASSERT(0, "GLWorldView::recieveNotification() - received notification from unknown source.");
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| [7188b1] | 159 | }
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| [04f017] | 160 | 
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| [d238e7] | 161 | void GLWorldView::initializeGL(QGLPainter *painter)
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 | 162 | {
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| [65487f] | 163 |   worldscene->initialize(this, painter);
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 | 164 |   changesPresent = false;
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| [d238e7] | 165 | }
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 | 166 | 
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 | 167 | void GLWorldView::paintGL(QGLPainter *painter)
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 | 168 | {
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| [65487f] | 169 |   if (changesPresent) {
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 | 170 |     initializeGL(painter);
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 | 171 |     changesPresent = false;
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 | 172 |   }
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 | 173 |   worldscene->draw(painter);
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| [907636] | 174 | }
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| [d238e7] | 175 | 
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| [907636] | 176 | void GLWorldView::keyPressEvent(QKeyEvent *e)
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 | 177 | {
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| [65487f] | 178 |   if (e->key() == Qt::Key_Tab) {
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 | 179 |     // The Tab key turns the ShowPicking option on and off,
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 | 180 |     // which helps show what the pick buffer looks like.
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 | 181 |     setOption(QGLView::ShowPicking, ((options() & QGLView::ShowPicking) == 0));
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 | 182 |     updateGL();
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 | 183 |   }
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 | 184 |   QGLView::keyPressEvent(e);
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 | 185 | }
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 | 186 | 
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 | 187 | void GLWorldView::changeSignalled()
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 | 188 | {
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 | 189 |   changesPresent = true;
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| [d238e7] | 190 | }
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 | 191 | 
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 | 192 | 
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 | 193 | //#include <GL/glu.h>
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 | 194 | //#include <QtGui/qslider.h>
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 | 195 | //#include <QtGui/qevent.h>
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 | 196 | //
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 | 197 | //#include "ui_dialoglight.h"
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 | 198 | //
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 | 199 | //#include "CodePatterns/MemDebug.hpp"
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 | 200 | //
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 | 201 | //#include <iostream>
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 | 202 | //#include <boost/shared_ptr.hpp>
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 | 203 | //
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 | 204 | //#include "LinearAlgebra/Line.hpp"
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| [6f0841] | 205 | //#include "Atom/atom.hpp"
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| [d238e7] | 206 | //#include "Bond/bond.hpp"
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| [3bdb6d] | 207 | //#include "Element/element.hpp"
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| [d238e7] | 208 | //#include "molecule.hpp"
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| [3bdb6d] | 209 | //#include "Element/periodentafel.hpp"
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| [d238e7] | 210 | //#include "World.hpp"
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 | 211 | //
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 | 212 | //#if defined(Q_CC_MSVC)
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 | 213 | //#pragma warning(disable:4305) // init: truncation from const double to float
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 | 214 | //#endif
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 | 215 | //
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 | 216 | //
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 | 217 | //GLMoleculeView::GLMoleculeView(QWidget *parent) :
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 | 218 | //  QGLWidget(parent), Observer("GLMoleculeView"), X(Vector(1,0,0)), Y(Vector(0,1,0)), Z(Vector(0,0,1))
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 | 219 | //{
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 | 220 | //    xRot = yRot = zRot = 0.0;    // default object rotation
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 | 221 | //    scale = 5.;      // default object scale
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 | 222 | //    object = 0;
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 | 223 | //    LightPosition[0] = 0.0f;
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 | 224 | //    LightPosition[1] = 2.0f;
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 | 225 | //    LightPosition[2] = 2.0f;
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 | 226 | //    LightPosition[3] = 0.0f;
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 | 227 | //    LightDiffuse[0] = 0.5f;
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 | 228 | //    LightDiffuse[1] = 0.5f;
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 | 229 | //    LightDiffuse[2] = 0.5f;
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 | 230 | //    LightDiffuse[3] = 0.0f;
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 | 231 | //    LightAmbient[0] = 0.0f;
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 | 232 | //    LightAmbient[1] = 0.0f;
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 | 233 | //    LightAmbient[2] = 0.0f;
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 | 234 | //    LightAmbient[3] = 0.0f;
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 | 235 | //
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 | 236 | //    SelectionColor[0] = 0;
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 | 237 | //    SelectionColor[1] = 128;
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 | 238 | //    SelectionColor[2] = 128;
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 | 239 | //
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 | 240 | //    MultiViewEnabled = true;
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 | 241 | //
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 | 242 | //    isSignaller = false;
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 | 243 | //
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 | 244 | //    World::getInstance().signOn(this);
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 | 245 | //}
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 | 246 | //
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 | 247 | ///** Destructor of GLMoleculeView.
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 | 248 | // * Free's the CallList.
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 | 249 | // */
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 | 250 | //GLMoleculeView::~GLMoleculeView()
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 | 251 | //{
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 | 252 | //    makeCurrent();
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 | 253 | //    glDeleteLists( object, 1 );
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 | 254 | //
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 | 255 | //    World::getInstance().signOff(this);
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 | 256 | //}
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 | 257 | //
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 | 258 | ///** Paints the conents of the OpenGL window.
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 | 259 | // * Clears the GL buffers, enables lighting and depth.
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 | 260 | // * Window is either quartered (if GLMoleculeView::MultiViewEnabled) and xy, xz, yz planar views
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 | 261 | // * are added. Uses the CallList, constructed during InitializeGL().
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 | 262 | // */
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 | 263 | //void GLMoleculeView::paintGL()
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 | 264 | //{
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 | 265 | //  Vector spot;
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 | 266 | //
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 | 267 | //  glClear (GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT);
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 | 268 | //  glShadeModel(GL_SMOOTH);            // Enable Smooth Shading
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 | 269 | //  glEnable(GL_LIGHTING);              // Enable Light One
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 | 270 | //  glEnable(GL_DEPTH_TEST);            // Enables Depth Testing
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 | 271 | //  glDepthFunc(GL_LEQUAL);              // The Type Of Depth Testing To Do
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 | 272 | //  glHint(GL_PERSPECTIVE_CORRECTION_HINT, GL_NICEST);      // Really Nice Perspective Calculations
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 | 273 | //
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 | 274 | //  // 3d viewport
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 | 275 | //  if (MultiViewEnabled)
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 | 276 | //    glViewport( 0, 0, (GLint)width/2, (GLint)height/2 );
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 | 277 | //  else
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 | 278 | //    glViewport( 0, 0, (GLint)width, (GLint)height );
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 | 279 | //  glMatrixMode( GL_PROJECTION );
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 | 280 | //  glLoadIdentity();
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 | 281 | //  glFrustum( -1.0, 1.0, -1.0, 1.0, 1.0, 50.0 );
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 | 282 | //  glMatrixMode( GL_MODELVIEW );
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 | 283 | //  glLoadIdentity();
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 | 284 | //
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 | 285 | //  // calculate point of view and direction
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 | 286 | //  glTranslated(position[0],position[1],position[2]);
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 | 287 | //  glTranslated(0.0, 0.0, -scale);
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 | 288 | //  glRotated(xRot, 1.0, 0.0, 0.0);
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 | 289 | //  glRotated(yRot, 0.0, 1.0, 0.0);
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 | 290 | //  glRotated(zRot, 0.0, 0.0, 1.0);
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 | 291 | //
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 | 292 | //  // render scene
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 | 293 | //  glCallList(object);
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 | 294 | //
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 | 295 | //  // enable light
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 | 296 | //  glLightfv(GL_LIGHT1, GL_AMBIENT, LightAmbient);       // Setup The Ambient Light
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 | 297 | //  glLightfv(GL_LIGHT1, GL_DIFFUSE, LightDiffuse);       // Setup The Diffuse Light
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 | 298 | //  glLightfv(GL_LIGHT1, GL_POSITION,LightPosition);      // Position The Light
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 | 299 | //  glEnable(GL_LIGHT1);              // Enable Light One
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 | 300 | //
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 | 301 | //  if (MultiViewEnabled) {
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 | 302 | //    // xy view port
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 | 303 | //    glViewport( (GLint)width/2, 0, (GLint)width/2, (GLint)height/2 );
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 | 304 | //    glMatrixMode( GL_PROJECTION );
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 | 305 | //    glLoadIdentity();
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 | 306 | //    glScalef(1./scale, 1./scale,1./scale);
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 | 307 | //    glOrtho(0, width/2, 0, height/2, 0,0);
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 | 308 | //    glMatrixMode( GL_MODELVIEW );
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 | 309 | //    glLoadIdentity();
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 | 310 | //
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 | 311 | //    // calculate point of view and direction
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 | 312 | //    view = position;
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 | 313 | //    spot = Vector(0.,0.,scale);
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 | 314 | //    top = Vector(0.,1.,0.);
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 | 315 | //    gluLookAt(
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 | 316 | //        spot[0], spot[1], spot[2],
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 | 317 | //        view[0], view[1], view[2],
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 | 318 | //        top[0], top[1], top[2]);
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 | 319 | //
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 | 320 | //    // enable light
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 | 321 | //    glLightfv(GL_LIGHT1, GL_AMBIENT, LightAmbient);       // Setup The Ambient Light
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 | 322 | //    glLightfv(GL_LIGHT1, GL_DIFFUSE, LightDiffuse);       // Setup The Diffuse Light
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 | 323 | //    glLightfv(GL_LIGHT1, GL_POSITION,LightPosition);      // Position The Light
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 | 324 | //    glEnable(GL_LIGHT1);              // Enable Light One
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 | 325 | //
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 | 326 | //    // render scene
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 | 327 | //    glCallList(object);
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 | 328 | //
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 | 329 | //    // xz viewport
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 | 330 | //    glViewport( 0, (GLint)height/2, (GLint)width/2, (GLint)height/2 );
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 | 331 | //    glMatrixMode( GL_PROJECTION );
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 | 332 | //    glLoadIdentity();
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 | 333 | //    glScalef(1./scale, 1./scale,1./scale);
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 | 334 | //    glOrtho(0, width/2, 0, height/2, 0,0);
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 | 335 | //    glMatrixMode( GL_MODELVIEW );
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 | 336 | //    glLoadIdentity();
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 | 337 | //
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 | 338 | //    // calculate point of view and direction
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 | 339 | //    view = position;
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 | 340 | //    spot = Vector(0.,scale,0.);
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 | 341 | //    top = Vector(1.,0.,0.);
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 | 342 | //    gluLookAt(
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 | 343 | //        spot[0], spot[1], spot[2],
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 | 344 | //        view[0], view[1], view[2],
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 | 345 | //        top[0], top[1], top[2]);
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 | 346 | //
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 | 347 | //    // enable light
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 | 348 | //    glLightfv(GL_LIGHT1, GL_AMBIENT, LightAmbient);       // Setup The Ambient Light
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 | 349 | //    glLightfv(GL_LIGHT1, GL_DIFFUSE, LightDiffuse);       // Setup The Diffuse Light
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 | 350 | //    glLightfv(GL_LIGHT1, GL_POSITION,LightPosition);      // Position The Light
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 | 351 | //    glEnable(GL_LIGHT1);              // Enable Light One
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 | 352 | //
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 | 353 | //    // render scene
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 | 354 | //    glCallList(object);
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 | 355 | //
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 | 356 | //    //yz viewport
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 | 357 | //    glViewport( (GLint)width/2, (GLint)height/2, (GLint)width/2, (GLint)height/2 );
 | 
|---|
 | 358 | //    glMatrixMode( GL_PROJECTION );
 | 
|---|
 | 359 | //    glLoadIdentity();
 | 
|---|
 | 360 | //    glScalef(1./scale, 1./scale,1./scale);
 | 
|---|
 | 361 | //    glOrtho(0, width/2, 0, height/2, 0,0);
 | 
|---|
 | 362 | //    glMatrixMode( GL_MODELVIEW );
 | 
|---|
 | 363 | //    glLoadIdentity();
 | 
|---|
 | 364 | //
 | 
|---|
 | 365 | //    // calculate point of view and direction
 | 
|---|
 | 366 | //    view= position;
 | 
|---|
 | 367 | //    spot = Vector(scale,0.,0.);
 | 
|---|
 | 368 | //    top = Vector(0.,1.,0.);
 | 
|---|
 | 369 | //    gluLookAt(
 | 
|---|
 | 370 | //        spot[0], spot[1], spot[2],
 | 
|---|
 | 371 | //        view[0], view[1], view[2],
 | 
|---|
 | 372 | //        top[0], top[1], top[2]);
 | 
|---|
 | 373 | //
 | 
|---|
 | 374 | //    // enable light
 | 
|---|
 | 375 | //    glLightfv(GL_LIGHT1, GL_AMBIENT, LightAmbient);       // Setup The Ambient Light
 | 
|---|
 | 376 | //    glLightfv(GL_LIGHT1, GL_DIFFUSE, LightDiffuse);       // Setup The Diffuse Light
 | 
|---|
 | 377 | //    glLightfv(GL_LIGHT1, GL_POSITION,LightPosition);      // Position The Light
 | 
|---|
 | 378 | //    glEnable(GL_LIGHT1);              // Enable Light One
 | 
|---|
 | 379 | //
 | 
|---|
 | 380 | //    // render scene
 | 
|---|
 | 381 | //    glCallList(object);
 | 
|---|
 | 382 | //  }
 | 
|---|
 | 383 | //  //CoordinatesBar->setText( QString ("X: %1, Y: %2, Z: %3").arg(position[0]).arg(position[1]).arg(position[2]) );
 | 
|---|
 | 384 | //}
 | 
|---|
 | 385 | //
 | 
|---|
 | 386 | ////void polarView{GLdouble distance, GLdouble twist,
 | 
|---|
 | 387 | ////   GLdouble elevation, GLdouble azimuth)
 | 
|---|
 | 388 | ////{
 | 
|---|
 | 389 | ////      glTranslated(0.0, 0.0, -distance);
 | 
|---|
 | 390 | ////      glRotated(-twist, 0.0, 0.0, 1.0);
 | 
|---|
 | 391 | ////      glRotated(-elevation, 1.0, 0.0, 0.0);
 | 
|---|
 | 392 | ////      glRotated(azimuth, 0.0, 0.0, 1.0);
 | 
|---|
 | 393 | ////}
 | 
|---|
 | 394 | //
 | 
|---|
 | 395 | ///** Make a sphere.
 | 
|---|
 | 396 | // * \param x position
 | 
|---|
 | 397 | // * \param radius radius
 | 
|---|
 | 398 | // * \param color[3] color rgb values
 | 
|---|
 | 399 | // */
 | 
|---|
 | 400 | //void GLMoleculeView::makeSphere(const Vector &x, double radius, const unsigned char color[3])
 | 
|---|
 | 401 | //{
 | 
|---|
 | 402 | //  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
 | 
|---|
 | 403 | //  GLUquadricObj* q = gluNewQuadric ();
 | 
|---|
 | 404 | //  gluQuadricOrientation(q, GLU_OUTSIDE);
 | 
|---|
 | 405 | //
 | 
|---|
 | 406 | //  std::cout << "Setting sphere at " << x << " with color r"
 | 
|---|
 | 407 | //      << (int)color[0] << ",g" << (int)color[1] << ",b" << (int)color[2] << "." << endl;
 | 
|---|
 | 408 | //
 | 
|---|
 | 409 | //  glPushMatrix();
 | 
|---|
 | 410 | //  glTranslatef( x[0], x[1], x[2]);
 | 
|---|
 | 411 | ////  glRotatef( xRot, 1.0, 0.0, 0.0);
 | 
|---|
 | 412 | ////  glRotatef( yRot, 0.0, 1.0, 0.0);
 | 
|---|
 | 413 | ////  glRotatef( zRot, 0.0, 0.0, 1.0);
 | 
|---|
 | 414 | //  glMaterialfv(GL_FRONT_AND_BACK, GL_AMBIENT_AND_DIFFUSE, blueMaterial);
 | 
|---|
 | 415 | //  gluSphere (q, (GLdouble)radius, 10, 10);
 | 
|---|
 | 416 | //  glPopMatrix();
 | 
|---|
 | 417 | //}
 | 
|---|
 | 418 | //
 | 
|---|
 | 419 | ///** Make a cylinder.
 | 
|---|
 | 420 | // * \param x origin
 | 
|---|
 | 421 | // * \param y direction
 | 
|---|
 | 422 | // * \param radius thickness
 | 
|---|
 | 423 | // * \param height length
 | 
|---|
 | 424 | // * \color[3] color rgb values
 | 
|---|
 | 425 | // */
 | 
|---|
 | 426 | //void GLMoleculeView::makeCylinder(const Vector &x, const Vector &y, double radius, double height, const unsigned char color[3])
 | 
|---|
 | 427 | //{
 | 
|---|
 | 428 | //  float blueMaterial[] = { 255./(float)color[0], 255./(float)color[1], 255./(float)color[2], 1 };
 | 
|---|
 | 429 | //  GLUquadricObj* q = gluNewQuadric ();
 | 
|---|
 | 430 | //  gluQuadricOrientation(q, GLU_OUTSIDE);
 | 
|---|
 | 431 | //  Vector a,b;
 | 
|---|
 | 432 | //  Vector OtherAxis;
 | 
|---|
 | 433 | //  double alpha;
 | 
|---|
 | 434 | //  a = x - y;
 | 
|---|
 | 435 | //  // construct rotation axis
 | 
|---|
 | 436 | //  b = a;
 | 
|---|
 | 437 | //  b.VectorProduct(Z);
 | 
|---|
 | 438 | //  Line axis(zeroVec, b);
 | 
|---|
 | 439 | //  // calculate rotation angle
 | 
|---|
 | 440 | //  alpha = a.Angle(Z);
 | 
|---|
 | 441 | //  // construct other axis to check right-hand rule
 | 
|---|
 | 442 | //  OtherAxis = b;
 | 
|---|
 | 443 | //  OtherAxis.VectorProduct(Z);
 | 
|---|
 | 444 | //  // assure right-hand rule for the rotation
 | 
|---|
 | 445 | //  if (a.ScalarProduct(OtherAxis) < MYEPSILON)
 | 
|---|
 | 446 | //    alpha = M_PI-alpha;
 | 
|---|
 | 447 | //  // check
 | 
|---|
 | 448 | //  Vector a_rotated = axis.rotateVector(a, alpha);
 | 
|---|
 | 449 | //  std::cout << "Setting cylinder from "// << x << " to " << y
 | 
|---|
 | 450 | //      << a << " to " << a_rotated << " around " << b << " by " << alpha/M_PI*180. << ", respectively, "
 | 
|---|
 | 451 | //      << " with color r"
 | 
|---|
 | 452 | //      << (int)color[0] << ",g" << (int)color[1] << ",b" << (int)color[2] << "." << endl;
 | 
|---|
 | 453 | //
 | 
|---|
 | 454 | //  glPushMatrix();
 | 
|---|
 | 455 | //  glTranslatef( x[0], x[1], x[2]);
 | 
|---|
 | 456 | //  glRotatef( alpha/M_PI*180., b[0], b[1], b[2]);
 | 
|---|
 | 457 | //  glMaterialfv(GL_FRONT_AND_BACK, GL_AMBIENT_AND_DIFFUSE, blueMaterial);
 | 
|---|
 | 458 | //  gluCylinder (q, (GLdouble)radius, (GLdouble)radius, (GLdouble)height, 10, 10);
 | 
|---|
 | 459 | //  glPopMatrix();
 | 
|---|
 | 460 | //}
 | 
|---|
 | 461 | //
 | 
|---|
 | 462 | ///** Defines the display CallList.
 | 
|---|
 | 463 | // * Goes through all molecules and their atoms and adds spheres for atoms and cylinders
 | 
|---|
 | 464 | // * for bonds. Heeds GLMoleculeView::SelectedAtom and GLMoleculeView::SelectedMolecule.
 | 
|---|
 | 465 | // */
 | 
|---|
 | 466 | //void GLMoleculeView::initializeGL()
 | 
|---|
 | 467 | //{
 | 
|---|
 | 468 | //  double x[3] = {-1, 0, -10};
 | 
|---|
 | 469 | //  unsigned char white[3] = {255,255,255};
 | 
|---|
 | 470 | //  Vector Position, OtherPosition;
 | 
|---|
 | 471 | //  QSize window = size();
 | 
|---|
 | 472 | //  width = window.width();
 | 
|---|
 | 473 | //  height = window.height();
 | 
|---|
 | 474 | //  std::cout << "Setting width to " << width << " and height to " << height << std::endl;
 | 
|---|
 | 475 | //  GLfloat shininess[] = { 0.0 };
 | 
|---|
 | 476 | //  GLfloat specular[] = { 0, 0, 0, 1 };
 | 
|---|
 | 477 | //  glClearColor(0.0f, 0.0f, 0.0f, 0.0f);     // Let OpenGL clear to black
 | 
|---|
 | 478 | //  object = glGenLists(1);
 | 
|---|
 | 479 | //  glNewList( object, GL_COMPILE );
 | 
|---|
 | 480 | //  glMaterialfv(GL_FRONT_AND_BACK, GL_SPECULAR, specular);
 | 
|---|
 | 481 | //  glMaterialfv(GL_FRONT_AND_BACK, GL_SHININESS, shininess);
 | 
|---|
 | 482 | //
 | 
|---|
 | 483 | //  const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
 | 
|---|
 | 484 | //
 | 
|---|
 | 485 | //  if (molecules.size() > 0) {
 | 
|---|
 | 486 | //    for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
 | 
|---|
 | 487 | //        Runner != molecules.end();
 | 
|---|
 | 488 | //        Runner++) {
 | 
|---|
 | 489 | //      for (molecule::const_iterator atomiter = (*Runner)->begin();
 | 
|---|
 | 490 | //          atomiter != (*Runner)->end();
 | 
|---|
 | 491 | //          ++atomiter) {
 | 
|---|
 | 492 | //        // create atom
 | 
|---|
 | 493 | //        const element *ptr = (*atomiter)->getType();
 | 
|---|
 | 494 | //        boost::shared_ptr<Vector> MolCenter((*Runner)->DetermineCenterOfGravity());
 | 
|---|
 | 495 | //        Position = (*atomiter)->getPosition() - *MolCenter;
 | 
|---|
 | 496 | //        const unsigned char* color = NULL;
 | 
|---|
 | 497 | //        if ((World::getInstance().isSelected(*atomiter)) || (World::getInstance().isSelected((*Runner))))
 | 
|---|
 | 498 | //          color = SelectionColor;
 | 
|---|
 | 499 | //        else
 | 
|---|
 | 500 | //          color = ptr->getColor();
 | 
|---|
 | 501 | //        makeSphere(Position, ptr->getVanDerWaalsRadius()*0.25, color);
 | 
|---|
 | 502 | //
 | 
|---|
 | 503 | //        // create bonds
 | 
|---|
 | 504 | //        const BondList &bonds = (*atomiter)->getListOfBonds();
 | 
|---|
 | 505 | //        for (BondList::const_iterator bonditer = bonds.begin();
 | 
|---|
 | 506 | //            bonditer != bonds.end();
 | 
|---|
 | 507 | //            ++bonditer) {
 | 
|---|
 | 508 | //          if ((*bonditer)->leftatom->getId() == (*atomiter)->getId()) {
 | 
|---|
 | 509 | //            Position = (*bonditer)->leftatom->getPosition() - *MolCenter;
 | 
|---|
 | 510 | //            OtherPosition = (*bonditer)->rightatom->getPosition() - *MolCenter;
 | 
|---|
 | 511 | //            const double distance = sqrt(Position.DistanceSquared(OtherPosition))/2.;
 | 
|---|
 | 512 | //            const unsigned char *color1 = (*bonditer)->leftatom->getType()->getColor();
 | 
|---|
 | 513 | //            const unsigned char *color2 = (*bonditer)->rightatom->getType()->getColor();
 | 
|---|
 | 514 | //            makeCylinder(Position, OtherPosition, 0.1, distance, color1);
 | 
|---|
 | 515 | //            makeCylinder(OtherPosition, Position, 0.1, distance, color2);
 | 
|---|
 | 516 | //          }
 | 
|---|
 | 517 | //        }
 | 
|---|
 | 518 | //      }
 | 
|---|
 | 519 | //    }
 | 
|---|
 | 520 | //  } else {
 | 
|---|
 | 521 | //    makeSphere( x,1, white);
 | 
|---|
 | 522 | //  }
 | 
|---|
 | 523 | //  glEndList();
 | 
|---|
 | 524 | //}
 | 
|---|
 | 525 | //
 | 
|---|
 | 526 | //
 | 
|---|
 | 527 | ///* ================================== SLOTS ============================== */
 | 
|---|
 | 528 | //
 | 
|---|
 | 529 | ///** Initializes some public variables.
 | 
|---|
 | 530 | // * \param *ptr pointer to QLabel statusbar
 | 
|---|
 | 531 | // */
 | 
|---|
 | 532 | //void GLMoleculeView::init(QLabel *ptr)
 | 
|---|
 | 533 | //{
 | 
|---|
 | 534 | //  StatusBar = ptr;
 | 
|---|
 | 535 | //}
 | 
|---|
 | 536 | //
 | 
|---|
 | 537 | ///** Initializes the viewport statusbar.
 | 
|---|
 | 538 | // * \param *ptr pointer to QLabel for showing view pointcoordinates.
 | 
|---|
 | 539 | // */
 | 
|---|
 | 540 | //void GLMoleculeView::initCoordinates(QLabel *ptr)
 | 
|---|
 | 541 | //{
 | 
|---|
 | 542 | //  CoordinatesBar = ptr;
 | 
|---|
 | 543 | //}
 | 
|---|
 | 544 | //
 | 
|---|
 | 545 | ///** Slot to be called when to initialize GLMoleculeView::MolData.
 | 
|---|
 | 546 | // */
 | 
|---|
 | 547 | //void GLMoleculeView::createView( )
 | 
|---|
 | 548 | //{
 | 
|---|
 | 549 | //  initializeGL();
 | 
|---|
 | 550 | //  updateGL();
 | 
|---|
 | 551 | //}
 | 
|---|
 | 552 | //
 | 
|---|
 | 553 | ///** Slot of window is resized.
 | 
|---|
 | 554 | // * Copies new width and height to GLMoleculeView::width and GLMoleculeView::height and calls updateGL().
 | 
|---|
 | 555 | // * \param w new width of window
 | 
|---|
 | 556 | // * \param h new height of window
 | 
|---|
 | 557 | // */
 | 
|---|
 | 558 | //void GLMoleculeView::resizeGL( int w, int h )
 | 
|---|
 | 559 | //{
 | 
|---|
 | 560 | //  width = w;
 | 
|---|
 | 561 | //  height = h;
 | 
|---|
 | 562 | //  updateGL();
 | 
|---|
 | 563 | //}
 | 
|---|
 | 564 | //
 | 
|---|
 | 565 | ///** Sets x rotation angle.
 | 
|---|
 | 566 | // * sets GLMoleculeView::xRot and calls updateGL().
 | 
|---|
 | 567 | // * \param degrees new rotation angle in degrees
 | 
|---|
 | 568 | // */
 | 
|---|
 | 569 | //void GLMoleculeView::setXRotation( int degrees )
 | 
|---|
 | 570 | //{
 | 
|---|
 | 571 | //  xRot = (GLfloat)(degrees % 360);
 | 
|---|
 | 572 | //  updateGL();
 | 
|---|
 | 573 | //}
 | 
|---|
 | 574 | //
 | 
|---|
 | 575 | //
 | 
|---|
 | 576 | ///** Sets y rotation angle.
 | 
|---|
 | 577 | // * sets GLMoleculeView::yRot and calls updateGL().
 | 
|---|
 | 578 | // * \param degrees new rotation angle in degrees
 | 
|---|
 | 579 | // */
 | 
|---|
 | 580 | //void GLMoleculeView::setYRotation( int degrees )
 | 
|---|
 | 581 | //{
 | 
|---|
 | 582 | //  yRot = (GLfloat)(degrees % 360);
 | 
|---|
 | 583 | //  updateGL();
 | 
|---|
 | 584 | //}
 | 
|---|
 | 585 | //
 | 
|---|
 | 586 | //
 | 
|---|
 | 587 | ///** Sets z rotation angle.
 | 
|---|
 | 588 | // * sets GLMoleculeView::zRot and calls updateGL().
 | 
|---|
 | 589 | // * \param degrees new rotation angle in degrees
 | 
|---|
 | 590 | // */
 | 
|---|
 | 591 | //void GLMoleculeView::setZRotation( int degrees )
 | 
|---|
 | 592 | //{
 | 
|---|
 | 593 | //  zRot = (GLfloat)(degrees % 360);
 | 
|---|
 | 594 | //  updateGL();
 | 
|---|
 | 595 | //}
 | 
|---|
 | 596 | //
 | 
|---|
 | 597 | ///** Sets the scale of the scene.
 | 
|---|
 | 598 | // * sets GLMoleculeView::scale and calls updateGL().
 | 
|---|
 | 599 | // * \param distance distance divided by 100 is the new scale
 | 
|---|
 | 600 | // */
 | 
|---|
 | 601 | //void GLMoleculeView::setScale( int distance )
 | 
|---|
 | 602 | //{
 | 
|---|
 | 603 | //  scale = (GLfloat)(distance / 100.);
 | 
|---|
 | 604 | //  updateGL();
 | 
|---|
 | 605 | //}
 | 
|---|
 | 606 | //
 | 
|---|
 | 607 | ///** Update the ambient light.
 | 
|---|
 | 608 | // * \param light[4] light strength per axis and position (w)
 | 
|---|
 | 609 | // */
 | 
|---|
 | 610 | //void GLMoleculeView::setLightAmbient( int *light )
 | 
|---|
 | 611 | //{
 | 
|---|
 | 612 | //  for(int i=0;i<4;i++)
 | 
|---|
 | 613 | //    LightAmbient[i] = light[i];
 | 
|---|
 | 614 | //  updateGL();
 | 
|---|
 | 615 | //}
 | 
|---|
 | 616 | //
 | 
|---|
 | 617 | ///** Update the diffuse light.
 | 
|---|
 | 618 | // * \param light[4] light strength per axis and position (w)
 | 
|---|
 | 619 | // */
 | 
|---|
 | 620 | //void GLMoleculeView::setLightDiffuse( int *light )
 | 
|---|
 | 621 | //{
 | 
|---|
 | 622 | //  for(int i=0;i<4;i++)
 | 
|---|
 | 623 | //    LightDiffuse[i] = light[i];
 | 
|---|
 | 624 | //  updateGL();
 | 
|---|
 | 625 | //}
 | 
|---|
 | 626 | //
 | 
|---|
 | 627 | ///** Update the position of light.
 | 
|---|
 | 628 | // * \param light[4] light strength per axis and position (w)
 | 
|---|
 | 629 | // */
 | 
|---|
 | 630 | //void GLMoleculeView::setLightPosition( int *light )
 | 
|---|
 | 631 | //{
 | 
|---|
 | 632 | //  for(int i=0;i<4;i++)
 | 
|---|
 | 633 | //    LightPosition[i] = light[i];
 | 
|---|
 | 634 | //  updateGL();
 | 
|---|
 | 635 | //}
 | 
|---|
 | 636 | //
 | 
|---|
 | 637 | ///** Toggles the boolean GLMoleculeView::MultiViewEnabled.
 | 
|---|
 | 638 | // * Flips the boolean and calls updateGL().
 | 
|---|
 | 639 | // */
 | 
|---|
 | 640 | //void GLMoleculeView::toggleMultiViewEnabled ( )
 | 
|---|
 | 641 | //{
 | 
|---|
 | 642 | //  MultiViewEnabled = !MultiViewEnabled;
 | 
|---|
 | 643 | //  cout << "Setting MultiView to " << MultiViewEnabled << "." << endl;
 | 
|---|
 | 644 | //  updateGL();
 | 
|---|
 | 645 | //}
 | 
|---|
 | 646 | //
 | 
|---|
 | 647 | ///** Launch a dialog to configure the lights.
 | 
|---|
 | 648 | // */
 | 
|---|
 | 649 | //void GLMoleculeView::createDialogLight()
 | 
|---|
 | 650 | //{
 | 
|---|
 | 651 | ////  Ui_DialogLight *Lights = new Ui_DialogLight();
 | 
|---|
 | 652 | ////  if (Lights == NULL)
 | 
|---|
 | 653 | ////    return;
 | 
|---|
 | 654 | ////  // Set up the dynamic dialog here
 | 
|---|
 | 655 | ////  QLineEdit *Field = NULL;
 | 
|---|
 | 656 | ////  Field = Lights->findChild<QLineEdit *>("LightPositionX");
 | 
|---|
 | 657 | ////  if (Field) Field->setText( QString("%1").arg(LightPosition[0]) );
 | 
|---|
 | 658 | ////  Field = Lights->findChild<QLineEdit *>("LightPositionY");
 | 
|---|
 | 659 | ////  if (Field) Field->setText( QString("%1").arg(LightPosition[1]) );
 | 
|---|
 | 660 | ////  Field = Lights->findChild<QLineEdit *>("LightPositionZ");
 | 
|---|
 | 661 | ////  if (Field) Field->setText( QString("%1").arg(LightPosition[2]) );
 | 
|---|
 | 662 | ////  Field = Lights->findChild<QLineEdit *>("LightPositionW");
 | 
|---|
 | 663 | ////  if (Field) Field->setText( QString("%1").arg(LightPosition[3]) );
 | 
|---|
 | 664 | ////
 | 
|---|
 | 665 | ////  Field = Lights->findChild<QLineEdit *>("LightDiffuseX");
 | 
|---|
 | 666 | ////  if (Field) Field->setText( QString("%1").arg(LightDiffuse[0]) );
 | 
|---|
 | 667 | ////  Field = Lights->findChild<QLineEdit *>("LightDiffuseY");
 | 
|---|
 | 668 | ////  if (Field) Field->setText( QString("%1").arg(LightDiffuse[1]) );
 | 
|---|
 | 669 | ////  Field = Lights->findChild<QLineEdit *>("LightDiffuseZ");
 | 
|---|
 | 670 | ////  if (Field) Field->setText( QString("%1").arg(LightDiffuse[2]) );
 | 
|---|
 | 671 | ////  Field = Lights->findChild<QLineEdit *>("LightDiffuseW");
 | 
|---|
 | 672 | ////  if (Field) Field->setText( QString("%1").arg(LightDiffuse[3]) );
 | 
|---|
 | 673 | ////
 | 
|---|
 | 674 | ////  Field = Lights->findChild<QLineEdit *>("LightAmbientX");
 | 
|---|
 | 675 | ////  if (Field) Field->setText( QString("%1").arg(LightAmbient[0]) );
 | 
|---|
 | 676 | ////  Field = Lights->findChild<QLineEdit *>("LightAmbientY");
 | 
|---|
 | 677 | ////  if (Field) Field->setText( QString("%1").arg(LightAmbient[1]) );
 | 
|---|
 | 678 | ////  Field = Lights->findChild<QLineEdit *>("LightAmbientZ");
 | 
|---|
 | 679 | ////  if (Field) Field->setText( QString("%1").arg(LightAmbient[2]) );
 | 
|---|
 | 680 | ////  Field = Lights->findChild<QLineEdit *>("LightAmbientW");
 | 
|---|
 | 681 | ////  if (Field) Field->setText( QString("%1").arg(LightAmbient[3]) );
 | 
|---|
 | 682 | ////
 | 
|---|
 | 683 | ////  if ( Lights->exec() ) {
 | 
|---|
 | 684 | ////    //cout << "User accepted.\n";
 | 
|---|
 | 685 | ////    // The user accepted, act accordingly
 | 
|---|
 | 686 | ////    Field = Lights->findChild<QLineEdit *>("LightPositionX");
 | 
|---|
 | 687 | ////    if (Field) LightPosition[0] = Field->text().toDouble();
 | 
|---|
 | 688 | ////    Field = Lights->findChild<QLineEdit *>("LightPositionY");
 | 
|---|
 | 689 | ////    if (Field) LightPosition[1] = Field->text().toDouble();
 | 
|---|
 | 690 | ////    Field = Lights->findChild<QLineEdit *>("LightPositionZ");
 | 
|---|
 | 691 | ////    if (Field) LightPosition[2] = Field->text().toDouble();
 | 
|---|
 | 692 | ////    Field = Lights->findChild<QLineEdit *>("LightPositionW");
 | 
|---|
 | 693 | ////    if (Field) LightPosition[3] = Field->text().toDouble();
 | 
|---|
 | 694 | ////
 | 
|---|
 | 695 | ////    Field = Lights->findChild<QLineEdit *>("LightDiffuseX");
 | 
|---|
 | 696 | ////    if (Field) LightDiffuse[0] = Field->text().toDouble();
 | 
|---|
 | 697 | ////    Field = Lights->findChild<QLineEdit *>("LightDiffuseY");
 | 
|---|
 | 698 | ////    if (Field) LightDiffuse[1] = Field->text().toDouble();
 | 
|---|
 | 699 | ////    Field = Lights->findChild<QLineEdit *>("LightDiffuseZ");
 | 
|---|
 | 700 | ////    if (Field) LightDiffuse[2] = Field->text().toDouble();
 | 
|---|
 | 701 | ////    Field = Lights->findChild<QLineEdit *>("LightDiffuseW");
 | 
|---|
 | 702 | ////    if (Field) LightDiffuse[3] = Field->text().toDouble();
 | 
|---|
 | 703 | ////
 | 
|---|
 | 704 | ////    Field = Lights->findChild<QLineEdit *>("LightAmbientX");
 | 
|---|
 | 705 | ////    if (Field) LightAmbient[0] = Field->text().toDouble();
 | 
|---|
 | 706 | ////    Field = Lights->findChild<QLineEdit *>("LightAmbientY");
 | 
|---|
 | 707 | ////    if (Field) LightAmbient[1] = Field->text().toDouble();
 | 
|---|
 | 708 | ////    Field = Lights->findChild<QLineEdit *>("LightAmbientZ");
 | 
|---|
 | 709 | ////    if (Field) LightAmbient[2] = Field->text().toDouble();
 | 
|---|
 | 710 | ////    Field = Lights->findChild<QLineEdit *>("LightAmbientW");
 | 
|---|
 | 711 | ////    if (Field) LightAmbient[3] = Field->text().toDouble();
 | 
|---|
 | 712 | ////    updateGL();
 | 
|---|
 | 713 | ////  } else {
 | 
|---|
 | 714 | ////    //cout << "User reclined.\n";
 | 
|---|
 | 715 | ////  }
 | 
|---|
 | 716 | ////  delete(Lights);
 | 
|---|
 | 717 | //}
 | 
|---|
 | 718 | //
 | 
|---|
 | 719 | ///** Slot for event of pressed mouse button.
 | 
|---|
 | 720 | // * Switch discerns between buttons and stores position of event in GLMoleculeView::LeftButtonPos,
 | 
|---|
 | 721 | // * GLMoleculeView::MiddleButtonPos or GLMoleculeView::RightButtonPos.
 | 
|---|
 | 722 | // * \param *event structure containing information of the event
 | 
|---|
 | 723 | // */
 | 
|---|
 | 724 | //void GLMoleculeView::mousePressEvent(QMouseEvent *event)
 | 
|---|
 | 725 | //{
 | 
|---|
 | 726 | //  std::cout << "MousePressEvent." << endl;
 | 
|---|
 | 727 | //  QPoint *pos = NULL;
 | 
|---|
 | 728 | //  switch (event->button()) {  // get the right array
 | 
|---|
 | 729 | //    case Qt::LeftButton:
 | 
|---|
 | 730 | //      pos = &LeftButtonPos;
 | 
|---|
 | 731 | //      std::cout << "Left Button" << endl;
 | 
|---|
 | 732 | //      break;
 | 
|---|
 | 733 | //    case Qt::MidButton:
 | 
|---|
 | 734 | //      pos = &MiddleButtonPos;
 | 
|---|
 | 735 | //      std::cout << "Middle Button" << endl;
 | 
|---|
 | 736 | //      break;
 | 
|---|
 | 737 | //    case Qt::RightButton:
 | 
|---|
 | 738 | //      pos = &RightButtonPos;
 | 
|---|
 | 739 | //      std::cout << "Right Button" << endl;
 | 
|---|
 | 740 | //      break;
 | 
|---|
 | 741 | //    default:
 | 
|---|
 | 742 | //      break;
 | 
|---|
 | 743 | //  }
 | 
|---|
 | 744 | //  if (pos) {    // store the position
 | 
|---|
 | 745 | //    pos->setX(event->pos().x());
 | 
|---|
 | 746 | //    pos->setY(event->pos().y());
 | 
|---|
 | 747 | //    std::cout << "Stored src position is (" << pos->x() << "," << pos->y() << ")." << endl;
 | 
|---|
 | 748 | //  } else {
 | 
|---|
 | 749 | //    std::cout << "pos is NULL." << endl;
 | 
|---|
 | 750 | //  }
 | 
|---|
 | 751 | //}
 | 
|---|
 | 752 | //
 | 
|---|
 | 753 | ///** Slot for event of pressed mouse button.
 | 
|---|
 | 754 | // * Switch discerns between buttons:
 | 
|---|
 | 755 | // * -# Left Button: Rotates the view of the GLMoleculeView, relative to GLMoleculeView::LeftButtonPos.
 | 
|---|
 | 756 | // * -# Middle Button: nothing
 | 
|---|
 | 757 | // * -# Right Button: Shifts the selected molecule or atom, relative to GLMoleculeView::RightButtonPos.
 | 
|---|
 | 758 | // * \param *event structure containing information of the event
 | 
|---|
 | 759 | // */
 | 
|---|
 | 760 | //void GLMoleculeView::mouseReleaseEvent(QMouseEvent *event)
 | 
|---|
 | 761 | //{
 | 
|---|
 | 762 | //  std::cout << "MouseReleaseEvent." << endl;
 | 
|---|
 | 763 | //  QPoint *srcpos = NULL;
 | 
|---|
 | 764 | //  QPoint destpos = event->pos();
 | 
|---|
 | 765 | //  int Width = (MultiViewEnabled) ? width/2 : width;
 | 
|---|
 | 766 | //  int Height = (MultiViewEnabled) ? height/2 : height;
 | 
|---|
 | 767 | //  std::cout << "Received dest position is (" << destpos.x() << "," << destpos.y() << ")." << endl;
 | 
|---|
 | 768 | //  switch (event->button()) {  // get the right array
 | 
|---|
 | 769 | //    case Qt::LeftButton:  // LeftButton rotates the view
 | 
|---|
 | 770 | //      srcpos = &LeftButtonPos;
 | 
|---|
 | 771 | //      std::cout << "Left Button" << endl;
 | 
|---|
 | 772 | //      if (srcpos) {    // subtract the position and act
 | 
|---|
 | 773 | //        std::cout << "Stored src position is (" << srcpos->x() << "," << srcpos->y() << ")." << endl;
 | 
|---|
 | 774 | //        destpos -= *srcpos;
 | 
|---|
 | 775 | //        std::cout << "Resulting diff position is (" << destpos.x() << "," << destpos.y() << ")." << endl;
 | 
|---|
 | 776 | //        std::cout << "Width and Height are " << Width << "," << Height << "." << endl;
 | 
|---|
 | 777 | //
 | 
|---|
 | 778 | //        int pos = (int)floor((double)srcpos->x()/(double)Width) + ((int)floor((double)srcpos->y()/(double)Height))*2;
 | 
|---|
 | 779 | //        if ((MultiViewEnabled) && (pos != 2)) { // means four regions, and we are in a shifting one
 | 
|---|
 | 780 | //          // switch between three regions
 | 
|---|
 | 781 | //          // decide into which of the four screens the initial click has been made
 | 
|---|
 | 782 | //          std::cout << "Position is " << pos << "." << endl;
 | 
|---|
 | 783 | //          switch(pos) {
 | 
|---|
 | 784 | //            case 0:  // lower left = xz
 | 
|---|
 | 785 | //              position[0] += -destpos.y()/100.;
 | 
|---|
 | 786 | //              position[2] += destpos.x()/100.;
 | 
|---|
 | 787 | //              break;
 | 
|---|
 | 788 | //            case 1: // lower right = yz
 | 
|---|
 | 789 | //              position[1] += -destpos.y()/100.;
 | 
|---|
 | 790 | //              position[2] += -destpos.x()/100.;
 | 
|---|
 | 791 | //              break;
 | 
|---|
 | 792 | //            case 2:  // upper left = projected
 | 
|---|
 | 793 | //              std::cout << "This is impossible: Shifting in the projected region, we should rotate!." << endl;
 | 
|---|
 | 794 | //              break;
 | 
|---|
 | 795 | //            case 3:  // upper right = xy
 | 
|---|
 | 796 | //              position[0] += destpos.x()/100.;
 | 
|---|
 | 797 | //              position[1] += -destpos.y()/100.;
 | 
|---|
 | 798 | //              break;
 | 
|---|
 | 799 | //            default:
 | 
|---|
 | 800 | //              std::cout << "click was not in any of the four regions." << endl;
 | 
|---|
 | 801 | //              break;
 | 
|---|
 | 802 | //          }
 | 
|---|
 | 803 | //          updateGL();
 | 
|---|
 | 804 | //        } else { // we are in rotation region
 | 
|---|
 | 805 | //          QWidget *Parent = parentWidget();
 | 
|---|
 | 806 | //          QSlider *sliderX = Parent->findChild<QSlider *>("sliderX");
 | 
|---|
 | 807 | //          QSlider *sliderY = Parent->findChild<QSlider *>("sliderY");
 | 
|---|
 | 808 | //          std::cout << sliderX << " and " << sliderY << endl;
 | 
|---|
 | 809 | //          if (sliderX) {
 | 
|---|
 | 810 | //            int xrange = sliderX->maximum() - sliderX->minimum();
 | 
|---|
 | 811 | //            double xValue = ((destpos.x() + Width) % Width);
 | 
|---|
 | 812 | //            xValue *= (double)xrange/(double)Width;
 | 
|---|
 | 813 | //            xValue += sliderX->value();
 | 
|---|
 | 814 | //            int xvalue = (int) xValue % xrange;
 | 
|---|
 | 815 | //            std::cout << "Setting x to " << xvalue << " within range " << xrange << "." << endl;
 | 
|---|
 | 816 | //            setXRotation(xvalue);
 | 
|---|
 | 817 | //            sliderX->setValue(xvalue);
 | 
|---|
 | 818 | //          } else {
 | 
|---|
 | 819 | //            std::cout << "sliderX is NULL." << endl;
 | 
|---|
 | 820 | //          }
 | 
|---|
 | 821 | //          if (sliderY) {
 | 
|---|
 | 822 | //            int yrange = sliderY->maximum() - sliderY->minimum();
 | 
|---|
 | 823 | //            double yValue = ((destpos.y() + Height) % Height);
 | 
|---|
 | 824 | //            yValue *= (double)yrange/(double)Height;
 | 
|---|
 | 825 | //            yValue += sliderY->value();
 | 
|---|
 | 826 | //            int yvalue = (int) yValue % yrange;
 | 
|---|
 | 827 | //            std::cout << "Setting y to " << yvalue << " within range " << yrange << "." << endl;
 | 
|---|
 | 828 | //            setYRotation(yvalue);
 | 
|---|
 | 829 | //            sliderY->setValue(yvalue);
 | 
|---|
 | 830 | //          } else {
 | 
|---|
 | 831 | //            std::cout << "sliderY is NULL." << endl;
 | 
|---|
 | 832 | //          }
 | 
|---|
 | 833 | //        }
 | 
|---|
 | 834 | //      } else {
 | 
|---|
 | 835 | //        std::cout << "srcpos is NULL." << endl;
 | 
|---|
 | 836 | //      }
 | 
|---|
 | 837 | //      break;
 | 
|---|
 | 838 | //
 | 
|---|
 | 839 | //    case Qt::MidButton: // MiddleButton has no function so far
 | 
|---|
 | 840 | //      srcpos = &MiddleButtonPos;
 | 
|---|
 | 841 | //      std::cout << "Middle Button" << endl;
 | 
|---|
 | 842 | //      if (srcpos) {    // subtract the position and act
 | 
|---|
 | 843 | //        QWidget *Parent = parentWidget();
 | 
|---|
 | 844 | //        QSlider *sliderZ = Parent->findChild<QSlider *>("sliderZ");
 | 
|---|
 | 845 | //        QSlider *sliderScale = Parent->findChild<QSlider *>("sliderScale");
 | 
|---|
 | 846 | //        std::cout << sliderZ << " and " << sliderScale << endl;
 | 
|---|
 | 847 | //        std::cout << "Stored src position is (" << srcpos->x() << "," << srcpos->y() << ")." << endl;
 | 
|---|
 | 848 | //        destpos -= *srcpos;
 | 
|---|
 | 849 | //        std::cout << "Resulting diff position is (" << destpos.x() << "," << destpos.y() << ")." << endl;
 | 
|---|
 | 850 | //        std::cout << "Width and Height are " << Width << "," << Height << "." << endl;
 | 
|---|
 | 851 | //        if (sliderZ) {
 | 
|---|
 | 852 | //          int xrange = sliderZ->maximum() - sliderZ->minimum();
 | 
|---|
 | 853 | //          double xValue = ((destpos.x() + Width) % Width);
 | 
|---|
 | 854 | //          xValue *= (double)xrange/(double)Width;
 | 
|---|
 | 855 | //          xValue += sliderZ->value();
 | 
|---|
 | 856 | //          int xvalue = (int) xValue % xrange;
 | 
|---|
 | 857 | //          std::cout << "Setting x to " << xvalue << " within range " << xrange << "." << endl;
 | 
|---|
 | 858 | //          setZRotation(xvalue);
 | 
|---|
 | 859 | //          sliderZ->setValue(xvalue);
 | 
|---|
 | 860 | //        } else {
 | 
|---|
 | 861 | //          std::cout << "sliderZ is NULL." << endl;
 | 
|---|
 | 862 | //        }
 | 
|---|
 | 863 | //        if (sliderScale) {
 | 
|---|
 | 864 | //          int yrange = sliderScale->maximum() - sliderScale->minimum();
 | 
|---|
 | 865 | //          double yValue = ((destpos.y() + Height) % Height);
 | 
|---|
 | 866 | //          yValue *= (double)yrange/(double)Height;
 | 
|---|
 | 867 | //          yValue += sliderScale->value();
 | 
|---|
 | 868 | //          int yvalue = (int) yValue % yrange;
 | 
|---|
 | 869 | //          std::cout << "Setting y to " << yvalue << " within range " << yrange << "." << endl;
 | 
|---|
 | 870 | //          setScale(yvalue);
 | 
|---|
 | 871 | //          sliderScale->setValue(yvalue);
 | 
|---|
 | 872 | //        } else {
 | 
|---|
 | 873 | //          std::cout << "sliderScale is NULL." << endl;
 | 
|---|
 | 874 | //        }
 | 
|---|
 | 875 | //      } else {
 | 
|---|
 | 876 | //        std::cout << "srcpos is NULL." << endl;
 | 
|---|
 | 877 | //      }
 | 
|---|
 | 878 | //      break;
 | 
|---|
 | 879 | //      break;
 | 
|---|
 | 880 | //
 | 
|---|
 | 881 | //    case Qt::RightButton:  // RightButton moves eitstdher the selected molecule or atom
 | 
|---|
 | 882 | //      srcpos = &RightButtonPos;
 | 
|---|
 | 883 | //      std::cout << "Right Button" << endl;
 | 
|---|
 | 884 | //      if (srcpos) {    // subtract the position and act
 | 
|---|
 | 885 | //        std::cout << "Stored src position is (" << srcpos->x() << "," << srcpos->y() << ")." << endl;
 | 
|---|
 | 886 | //        destpos -= *srcpos;
 | 
|---|
 | 887 | //        std::cout << "Resulting diff position is (" << destpos.x() << "," << destpos.y() << ")." << endl;
 | 
|---|
 | 888 | //        std::cout << "Width and Height are " << Width << "," << Height << "." << endl;
 | 
|---|
 | 889 | //        if (MultiViewEnabled) {
 | 
|---|
 | 890 | //          // which vector to change
 | 
|---|
 | 891 | //          Vector SelectedPosition;
 | 
|---|
 | 892 | //          const std::vector<atom*> &SelectedAtoms = World::getInstance().getSelectedAtoms();
 | 
|---|
 | 893 | //          const std::vector<molecule*> &SelectedMolecules = World::getInstance().getSelectedMolecules();
 | 
|---|
 | 894 | //          if (SelectedMolecules.size()) {
 | 
|---|
 | 895 | //            if (SelectedAtoms.size())
 | 
|---|
 | 896 | //              SelectedPosition = (*SelectedAtoms.begin())->getPosition();
 | 
|---|
 | 897 | //            else
 | 
|---|
 | 898 | //              SelectedPosition = (*(*SelectedMolecules.begin())->begin())->getPosition();
 | 
|---|
 | 899 | //          }
 | 
|---|
 | 900 | //          // decide into which of the four screens the initial click has been made
 | 
|---|
 | 901 | //          int pos = (int)floor((double)srcpos->x()/(double)Width) + ((int)floor((double)srcpos->y()/(double)Height))*2;
 | 
|---|
 | 902 | //          if (!SelectedPosition.IsZero()) {
 | 
|---|
 | 903 | //            std::cout << "Position is " << pos << "." << endl;
 | 
|---|
 | 904 | //            switch(pos) {
 | 
|---|
 | 905 | //              case 0:  // lower left = xz
 | 
|---|
 | 906 | //                SelectedPosition[0] += -destpos.y()/100.;
 | 
|---|
 | 907 | //                SelectedPosition[2] += destpos.x()/100.;
 | 
|---|
 | 908 | //                break;
 | 
|---|
 | 909 | //              case 1: // lower right = yz
 | 
|---|
 | 910 | //                SelectedPosition[1] += -destpos.y()/100.;
 | 
|---|
 | 911 | //                SelectedPosition[2] += -destpos.x()/100.;
 | 
|---|
 | 912 | //                break;
 | 
|---|
 | 913 | //              case 2:  // upper left = projected
 | 
|---|
 | 914 | //                SelectedPosition[0] += destpos.x()/100.;
 | 
|---|
 | 915 | //                SelectedPosition[1] += destpos.y()/100.;
 | 
|---|
 | 916 | //                SelectedPosition[2] += destpos.y()/100.;
 | 
|---|
 | 917 | //                break;
 | 
|---|
 | 918 | //              case 3:  // upper right = xy
 | 
|---|
 | 919 | //                SelectedPosition[0] += destpos.x()/100.;
 | 
|---|
 | 920 | //                SelectedPosition[1] += -destpos.y()/100.;
 | 
|---|
 | 921 | //                break;
 | 
|---|
 | 922 | //              default:
 | 
|---|
 | 923 | //                std::cout << "click was not in any of the four regions." << endl;
 | 
|---|
 | 924 | //                break;
 | 
|---|
 | 925 | //            }
 | 
|---|
 | 926 | //          } else {
 | 
|---|
 | 927 | //            std::cout << "Nothing selected." << endl;
 | 
|---|
 | 928 | //          }
 | 
|---|
 | 929 | //          // update Tables
 | 
|---|
 | 930 | //          if (SelectedMolecules.size()) {
 | 
|---|
 | 931 | //            isSignaller = true;
 | 
|---|
 | 932 | //            if (SelectedAtoms.size())
 | 
|---|
 | 933 | //              emit notifyAtomChanged( (*SelectedMolecules.begin()), (*SelectedAtoms.begin()), AtomPosition);
 | 
|---|
 | 934 | //            else
 | 
|---|
 | 935 | //              emit notifyMoleculeChanged( (*SelectedMolecules.begin()), MoleculePosition );
 | 
|---|
 | 936 | //          }
 | 
|---|
 | 937 | //          // update graphic
 | 
|---|
 | 938 | //          initializeGL();
 | 
|---|
 | 939 | //          updateGL();
 | 
|---|
 | 940 | //        } else {
 | 
|---|
 | 941 | //          cout << "MultiView is not enabled." << endl;
 | 
|---|
 | 942 | //        }
 | 
|---|
 | 943 | //      } else {
 | 
|---|
 | 944 | //        cout << "srcpos is NULL." << endl;
 | 
|---|
 | 945 | //      }
 | 
|---|
 | 946 | //  break;
 | 
|---|
 | 947 | //
 | 
|---|
 | 948 | //    default:
 | 
|---|
 | 949 | //      break;
 | 
|---|
 | 950 | //  }
 | 
|---|
 | 951 | //}
 | 
|---|
 | 952 | //
 | 
|---|
 | 953 | ///* ======================================== SLOTS ================================ */
 | 
|---|
 | 954 | //
 | 
|---|
 | 955 | ///** Hear announcement of selected molecule.
 | 
|---|
 | 956 | // * \param *mol pointer to selected molecule
 | 
|---|
 | 957 | // */
 | 
|---|
 | 958 | //void GLMoleculeView::hearMoleculeSelected(molecule *mol)
 | 
|---|
 | 959 | //{
 | 
|---|
 | 960 | //  if (isSignaller) { // if we emitted the signal, return
 | 
|---|
 | 961 | //    isSignaller = false;
 | 
|---|
 | 962 | //    return;
 | 
|---|
 | 963 | //  }
 | 
|---|
 | 964 | //  initializeGL();
 | 
|---|
 | 965 | //  updateGL();
 | 
|---|
 | 966 | //};
 | 
|---|
 | 967 | //
 | 
|---|
 | 968 | ///** Hear announcement of selected atom.
 | 
|---|
 | 969 | // * \param *mol pointer to molecule containing atom
 | 
|---|
 | 970 | // * \param *Walker pointer to selected atom
 | 
|---|
 | 971 | // */
 | 
|---|
 | 972 | //void GLMoleculeView::hearAtomSelected(molecule *mol, atom *Walker)
 | 
|---|
 | 973 | //{
 | 
|---|
 | 974 | //  if (isSignaller) { // if we emitted the signal, return
 | 
|---|
 | 975 | //    isSignaller = false;
 | 
|---|
 | 976 | //    return;
 | 
|---|
 | 977 | //  }
 | 
|---|
 | 978 | //  initializeGL();
 | 
|---|
 | 979 | //  updateGL();
 | 
|---|
 | 980 | //};
 | 
|---|
 | 981 | //
 | 
|---|
 | 982 | ///** Hear announcement of changed molecule.
 | 
|---|
 | 983 | // * \param *mol pointer to changed molecule
 | 
|---|
 | 984 | // * \param type of change
 | 
|---|
 | 985 | // */
 | 
|---|
 | 986 | //void GLMoleculeView::hearMoleculeChanged(molecule *mol, enum ChangesinMolecule type)
 | 
|---|
 | 987 | //{
 | 
|---|
 | 988 | //  if (isSignaller) { // if we emitted the signal, return
 | 
|---|
 | 989 | //    isSignaller = false;
 | 
|---|
 | 990 | //    return;
 | 
|---|
 | 991 | //  }
 | 
|---|
 | 992 | //  initializeGL();
 | 
|---|
 | 993 | //  updateGL();
 | 
|---|
 | 994 | //};
 | 
|---|
 | 995 | //
 | 
|---|
 | 996 | ///** Hear announcement of changed atom.
 | 
|---|
 | 997 | // * \param *mol pointer to molecule containing atom
 | 
|---|
 | 998 | // * \param *Walker pointer to changed atom
 | 
|---|
 | 999 | // * \param type type of change
 | 
|---|
 | 1000 | // */
 | 
|---|
 | 1001 | //void GLMoleculeView::hearAtomChanged(molecule *mol, atom *Walker, enum ChangesinAtom type)
 | 
|---|
 | 1002 | //{
 | 
|---|
 | 1003 | //  if (isSignaller) { // if we emitted the signal, return
 | 
|---|
 | 1004 | //    isSignaller = false;
 | 
|---|
 | 1005 | //    return;
 | 
|---|
 | 1006 | //  }
 | 
|---|
 | 1007 | //  initializeGL();
 | 
|---|
 | 1008 | //  updateGL();
 | 
|---|
 | 1009 | //};
 | 
|---|
 | 1010 | //
 | 
|---|
 | 1011 | ///** Hear announcement of changed element.
 | 
|---|
 | 1012 | // * \param *Runner pointer to changed element
 | 
|---|
 | 1013 | // * \param type of change
 | 
|---|
 | 1014 | // */
 | 
|---|
 | 1015 | //void GLMoleculeView::hearElementChanged(element *Runner, enum ChangesinElement type)
 | 
|---|
 | 1016 | //{
 | 
|---|
 | 1017 | //  if (isSignaller) { // if we emitted the signal, return
 | 
|---|
 | 1018 | //    isSignaller = false;
 | 
|---|
 | 1019 | //    return;
 | 
|---|
 | 1020 | //  }
 | 
|---|
 | 1021 | //  switch(type) {
 | 
|---|
 | 1022 | //    default:
 | 
|---|
 | 1023 | //    case ElementName:
 | 
|---|
 | 1024 | //    case ElementSymbol:
 | 
|---|
 | 1025 | //    case ElementMass:
 | 
|---|
 | 1026 | //    case ElementValence:
 | 
|---|
 | 1027 | //    case ElementZ:
 | 
|---|
 | 1028 | //      break;
 | 
|---|
 | 1029 | //    case ElementCovalent:
 | 
|---|
 | 1030 | //    case ElementVanderWaals:
 | 
|---|
 | 1031 | //      initializeGL();
 | 
|---|
 | 1032 | //      updateGL();
 | 
|---|
 | 1033 | //      break;
 | 
|---|
 | 1034 | //  }
 | 
|---|
 | 1035 | //};
 | 
|---|
 | 1036 | //
 | 
|---|
 | 1037 | ///** Hear announcement of added molecule.
 | 
|---|
 | 1038 | // * \param *mol pointer to added molecule
 | 
|---|
 | 1039 | // */
 | 
|---|
 | 1040 | //void GLMoleculeView::hearMoleculeAdded(molecule *mol)
 | 
|---|
 | 1041 | //{
 | 
|---|
 | 1042 | //  if (isSignaller) { // if we emitted the signal, return
 | 
|---|
 | 1043 | //    isSignaller = false;
 | 
|---|
 | 1044 | //    return;
 | 
|---|
 | 1045 | //  }
 | 
|---|
 | 1046 | //  initializeGL();
 | 
|---|
 | 1047 | //  updateGL();
 | 
|---|
 | 1048 | //};
 | 
|---|
 | 1049 | //
 | 
|---|
 | 1050 | ///** Hear announcement of added atom.
 | 
|---|
 | 1051 | // * \param *mol pointer to molecule containing atom
 | 
|---|
 | 1052 | // * \param *Walker pointer to added atom
 | 
|---|
 | 1053 | // */
 | 
|---|
 | 1054 | //void GLMoleculeView::hearAtomAdded(molecule *mol, atom *Walker)
 | 
|---|
 | 1055 | //{
 | 
|---|
 | 1056 | //  if (isSignaller) { // if we emitted the signal, return
 | 
|---|
 | 1057 | //    isSignaller = false;
 | 
|---|
 | 1058 | //    return;
 | 
|---|
 | 1059 | //  }
 | 
|---|
 | 1060 | //  initializeGL();
 | 
|---|
 | 1061 | //  updateGL();
 | 
|---|
 | 1062 | //};
 | 
|---|
 | 1063 | //
 | 
|---|
 | 1064 | ///** Hear announcement of removed molecule.
 | 
|---|
 | 1065 | // * \param *mol pointer to removed molecule
 | 
|---|
 | 1066 | // */
 | 
|---|
 | 1067 | //void GLMoleculeView::hearMoleculeRemoved(molecule *mol)
 | 
|---|
 | 1068 | //{
 | 
|---|
 | 1069 | //  if (isSignaller) { // if we emitted the signal, return
 | 
|---|
 | 1070 | //    isSignaller = false;
 | 
|---|
 | 1071 | //    return;
 | 
|---|
 | 1072 | //  }
 | 
|---|
 | 1073 | //  initializeGL();
 | 
|---|
 | 1074 | //  updateGL();
 | 
|---|
 | 1075 | //};
 | 
|---|
 | 1076 | //
 | 
|---|
 | 1077 | ///** Hear announcement of removed atom.
 | 
|---|
 | 1078 | // * \param *mol pointer to molecule containing atom
 | 
|---|
 | 1079 | // * \param *Walker pointer to removed atom
 | 
|---|
 | 1080 | // */
 | 
|---|
 | 1081 | //void GLMoleculeView::hearAtomRemoved(molecule *mol, atom *Walker)
 | 
|---|
 | 1082 | //{
 | 
|---|
 | 1083 | //  if (isSignaller) { // if we emitted the signal, return
 | 
|---|
 | 1084 | //    isSignaller = false;
 | 
|---|
 | 1085 | //    return;
 | 
|---|
 | 1086 | //  }
 | 
|---|
 | 1087 | //  initializeGL();
 | 
|---|
 | 1088 | //  updateGL();
 | 
|---|
 | 1089 | //};
 | 
|---|
 | 1090 | //
 | 
|---|
 | 1091 | //void GLMoleculeView::update(Observable *publisher)
 | 
|---|
 | 1092 | //{
 | 
|---|
 | 1093 | //  initializeGL();
 | 
|---|
 | 1094 | //  updateGL();
 | 
|---|
 | 1095 | //}
 | 
|---|
 | 1096 | //
 | 
|---|
 | 1097 | ///**
 | 
|---|
 | 1098 | // * This method is called when a special named change
 | 
|---|
 | 1099 | // * of the Observable occured
 | 
|---|
 | 1100 | // */
 | 
|---|
 | 1101 | //void GLMoleculeView::recieveNotification(Observable *publisher, Notification_ptr notification)
 | 
|---|
 | 1102 | //{
 | 
|---|
 | 1103 | //  initializeGL();
 | 
|---|
 | 1104 | //  updateGL();
 | 
|---|
 | 1105 | //}
 | 
|---|
 | 1106 | //
 | 
|---|
 | 1107 | ///**
 | 
|---|
 | 1108 | // * This method is called when the observed object is destroyed.
 | 
|---|
 | 1109 | // */
 | 
|---|
 | 1110 | //void GLMoleculeView::subjectKilled(Observable *publisher)
 | 
|---|
 | 1111 | //{
 | 
|---|
 | 1112 | //
 | 
|---|
 | 1113 | //}
 | 
|---|
 | 1114 | //
 | 
|---|
 | 1115 | //
 | 
|---|
 | 1116 | //// new stuff
 | 
|---|
 | 1117 | //
 | 
|---|
 | 1118 | ///** Returns the ref to the Material for element No \a from the map.
 | 
|---|
 | 1119 | // *
 | 
|---|
 | 1120 | // * \note We create a new one if the element is missing.
 | 
|---|
 | 1121 | // *
 | 
|---|
 | 1122 | // * @param no element no
 | 
|---|
 | 1123 | // * @return ref to QGLMaterial
 | 
|---|
 | 1124 | // */
 | 
|---|
 | 1125 | //QGLMaterial* GLMoleculeView::getMaterial(size_t no)
 | 
|---|
 | 1126 | //{
 | 
|---|
 | 1127 | //  if (ElementNoMaterialMap.find(no) != ElementNoMaterialMap.end()){
 | 
|---|
 | 1128 | //    // get present one
 | 
|---|
 | 1129 | //
 | 
|---|
 | 1130 | //  } else {
 | 
|---|
 | 1131 | //    ASSERT( (no >= 0) && (no < MAX_ELEMENTS),
 | 
|---|
 | 1132 | //        "GLMoleculeView::getMaterial() - Element no "+toString(no)+" is invalid.");
 | 
|---|
 | 1133 | //    // create new one
 | 
|---|
 | 1134 | //    LOG(1, "Creating new material for element "+toString(no)+".");
 | 
|---|
 | 1135 | //    QGLMaterial *newmaterial = new QGLMaterial(this);
 | 
|---|
 | 1136 | //    periodentafel *periode = World::getInstance().getPeriode();
 | 
|---|
 | 1137 | //    element *desiredelement = periode->FindElement(no);
 | 
|---|
 | 1138 | //    ASSERT(desiredelement != NULL,
 | 
|---|
 | 1139 | //        "GLMoleculeView::getMaterial() - desired element "+toString(no)+" not present in periodentafel.");
 | 
|---|
 | 1140 | //    const unsigned char* color = desiredelement->getColor();
 | 
|---|
 | 1141 | //    newmaterial->setAmbientColor( QColor(color[0], color[1], color[2]) );
 | 
|---|
 | 1142 | //    newmaterial->setSpecularColor( QColor(60, 60, 60) );
 | 
|---|
 | 1143 | //    newmaterial->setShininess( QColor(128) );
 | 
|---|
 | 1144 | //    ElementNoMaterialMap.insert( no, newmaterial);
 | 
|---|
 | 1145 | //  }
 | 
|---|
 | 1146 | //}
 | 
|---|
 | 1147 | //
 | 
|---|
 | 1148 | //QGLSceneNode* GLMoleculeView::getAtom(size_t no)
 | 
|---|
 | 1149 | //{
 | 
|---|
 | 1150 | //  // first some sensibility checks
 | 
|---|
 | 1151 | //  ASSERT(World::getInstance().getAtom(AtomById(no)) != NULL,
 | 
|---|
 | 1152 | //      "GLMoleculeView::getAtom() - desired atom "
 | 
|---|
 | 1153 | //      +toString(no)+" not present in the World.");
 | 
|---|
 | 1154 | //  ASSERT(AtomsinSceneMap.find(no) != AtomsinSceneMap.end(),
 | 
|---|
 | 1155 | //      "GLMoleculeView::getAtom() - desired atom "
 | 
|---|
 | 1156 | //      +toString(no)+" not present in the AtomsinSceneMap.");
 | 
|---|
 | 1157 | //
 | 
|---|
 | 1158 | //  return AtomsinSceneMap[no];
 | 
|---|
 | 1159 | //}
 | 
|---|
 | 1160 | //
 | 
|---|
 | 1161 | //QGLSceneNode* GLMoleculeView::getBond(size_t leftno, size_t rightno)
 | 
|---|
 | 1162 | //{
 | 
|---|
 | 1163 | //  // first some sensibility checks
 | 
|---|
 | 1164 | //  ASSERT(World::getInstance().getAtom(AtomById(leftno)) != NULL,
 | 
|---|
 | 1165 | //      "GLMoleculeView::getAtom() - desired atom "
 | 
|---|
 | 1166 | //      +toString(leftno)+" of bond not present in the World.");
 | 
|---|
 | 1167 | //  ASSERT(World::getInstance().getAtom(AtomById(rightno)) != NULL,
 | 
|---|
 | 1168 | //      "GLMoleculeView::getAtom() - desired atom "
 | 
|---|
 | 1169 | //      +toString(rightno)+" of bond not present in the World.");
 | 
|---|
 | 1170 | //  ASSERT(AtomsinSceneMap.find(leftno) != AtomsinSceneMap.end(),
 | 
|---|
 | 1171 | //      "GLMoleculeView::getAtom() - desired atom "
 | 
|---|
 | 1172 | //      +toString(leftno)+" of bond not present in the AtomsinSceneMap.");
 | 
|---|
 | 1173 | //  ASSERT(AtomsinSceneMap.find(rightno) != AtomsinSceneMap.end(),
 | 
|---|
 | 1174 | //      "GLMoleculeView::getAtom() - desired atom "
 | 
|---|
 | 1175 | //      +toString(rightno)+" of bond not present in the AtomsinSceneMap.");
 | 
|---|
 | 1176 | //  ASSERT(leftno == rightno,
 | 
|---|
 | 1177 | //      "GLMoleculeView::getAtom() - bond must not be between the same atom: "
 | 
|---|
 | 1178 | //      +toString(leftno)+" == "+toString(rightno)+".");
 | 
|---|
 | 1179 | //
 | 
|---|
 | 1180 | //  // then return with smaller index first
 | 
|---|
 | 1181 | //  if (leftno > rightno)
 | 
|---|
 | 1182 | //    return AtomsinSceneMap[ make_pair(rightno, leftno) ];
 | 
|---|
 | 1183 | //  else
 | 
|---|
 | 1184 | //    return AtomsinSceneMap[ make_pair(leftno, rightno) ];
 | 
|---|
 | 1185 | //}
 | 
|---|
 | 1186 | //
 | 
|---|