| [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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| [7188b1] | 28 | #include "CodePatterns/Log.hpp"
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| [02ce36] | 29 | #include "CodePatterns/Observer/Notification.hpp"
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| [7188b1] | 30 |
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| 31 | #include "World.hpp"
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| 32 |
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| [d238e7] | 33 | GLWorldView::GLWorldView(QWidget *parent)
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| [65487f] | 34 | : QGLView(parent), Observer("GLWorldView"), worldscene(NULL), changesPresent(false)
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| [d238e7] | 35 | {
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| [65487f] | 36 | worldscene = new GLWorldScene(this);
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| [d238e7] | 37 |
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| [65487f] | 38 | setOption(QGLView::ObjectPicking, true);
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| [d238e7] | 39 |
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| [65487f] | 40 | connect(worldscene, SIGNAL(changeOccured()), this, SLOT(changeSignalled()));
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| 41 | connect(worldscene, SIGNAL(changed()), this, SIGNAL(changed()));
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| 42 | connect(this, SIGNAL(atomInserted(const atom *)), worldscene, SLOT(atomInserted(const atom *)));
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| 43 | connect(this, SIGNAL(atomRemoved(const atom *)), worldscene, SLOT(atomRemoved(const atom *)));
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| 44 | connect(this, SIGNAL(changed()), this, SLOT(updateGL()));
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| [7188b1] | 45 |
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| [65487f] | 46 | // sign on to changes in the world
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| 47 | World::getInstance().signOn(this);
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| [02ce36] | 48 | World::getInstance().signOn(this, World::AtomInserted);
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| 49 | World::getInstance().signOn(this, World::AtomRemoved);
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| [8a77ac] | 50 | World::getInstance().signOn(this, World::AtomPositionChanged);
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| [d238e7] | 51 | }
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| 52 |
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| [04f017] | 53 | GLWorldView::~GLWorldView()
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| 54 | {
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| [9c18e4] | 55 | World::getInstance().signOff(this);
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| [02ce36] | 56 | World::getInstance().signOff(this, World::AtomInserted);
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| 57 | World::getInstance().signOff(this, World::AtomRemoved);
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| [8a77ac] | 58 | World::getInstance().signOff(this, World::AtomPositionChanged);
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| [04f017] | 59 | delete worldscene;
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| 60 | }
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| 61 |
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| [7188b1] | 62 | /**
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| 63 | * Update operation which can be invoked by the observable (which should be the
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| 64 | * change tracker here).
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| 65 | */
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| 66 | void GLWorldView::update(Observable *publisher)
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| 67 | {
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| 68 | emit changed();
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| 69 | }
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| 70 |
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| 71 | /**
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| 72 | * The observable can tell when it dies.
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| 73 | */
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| 74 | void GLWorldView::subjectKilled(Observable *publisher) {}
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| 75 |
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| 76 | /** Listen to specific changes to the world.
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| 77 | *
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| 78 | * @param publisher ref to observable.
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| 79 | * @param notification type of notification
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| 80 | */
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| 81 | void GLWorldView::recieveNotification(Observable *publisher, Notification_ptr notification)
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| 82 | {
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| 83 | switch (notification->getChannelNo()) {
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| 84 | case World::AtomInserted:
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| 85 | {
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| 86 | const atom *_atom = World::getInstance().lastChanged<atom>();
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| [57a770] | 87 | #ifdef LOG_OBSERVER
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| 88 | observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that atom "+toString(_atom->getId())+" has been inserted.";
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| 89 | #endif
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| [7188b1] | 90 | emit atomInserted(_atom);
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| 91 | break;
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| 92 | }
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| 93 | case World::AtomRemoved:
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| 94 | {
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| 95 | const atom *_atom = World::getInstance().lastChanged<atom>();
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| [57a770] | 96 | #ifdef LOG_OBSERVER
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| 97 | observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that atom "+toString(_atom->getId())+" has been removed.";
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| 98 | #endif
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| [7188b1] | 99 | emit atomRemoved(_atom);
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| 100 | break;
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| 101 | }
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| [8a77ac] | 102 | case World::AtomPositionChanged:
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| 103 | {
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| 104 | const atom *_atom = World::getInstance().lastChanged<atom>();
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| 105 | #ifdef LOG_OBSERVER
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| 106 | observerLog().addMessage() << "++ Observer " << observerLog().getName(this) << " received notification that atom "+toString(_atom->getId())+" has changed its position.";
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| 107 | #endif
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| 108 | emit changed();
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| 109 | break;
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| 110 | }
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| [7188b1] | 111 | default:
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| 112 | ASSERT(0, "GLWorldView::recieveNotification() - we cannot get here.");
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| 113 | break;
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| 114 | }
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| 115 | }
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| [04f017] | 116 |
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| [d238e7] | 117 | void GLWorldView::initializeGL(QGLPainter *painter)
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| 118 | {
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| [65487f] | 119 | worldscene->initialize(this, painter);
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| 120 | changesPresent = false;
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| [d238e7] | 121 | }
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| 122 |
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| 123 | void GLWorldView::paintGL(QGLPainter *painter)
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| 124 | {
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| [65487f] | 125 | if (changesPresent) {
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| 126 | initializeGL(painter);
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| 127 | changesPresent = false;
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| 128 | }
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| 129 | worldscene->draw(painter);
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| [907636] | 130 | }
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| [d238e7] | 131 |
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| [907636] | 132 | void GLWorldView::keyPressEvent(QKeyEvent *e)
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| 133 | {
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| [65487f] | 134 | if (e->key() == Qt::Key_Tab) {
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| 135 | // The Tab key turns the ShowPicking option on and off,
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| 136 | // which helps show what the pick buffer looks like.
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| 137 | setOption(QGLView::ShowPicking, ((options() & QGLView::ShowPicking) == 0));
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| 138 | updateGL();
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| 139 | }
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| 140 | QGLView::keyPressEvent(e);
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| 141 | }
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| 142 |
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| 143 | void GLWorldView::changeSignalled()
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| 144 | {
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| 145 | changesPresent = true;
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| [d238e7] | 146 | }
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| 147 |
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| 148 |
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| 149 | //#include <GL/glu.h>
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| 150 | //#include <QtGui/qslider.h>
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| 151 | //#include <QtGui/qevent.h>
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| 152 | //
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| 153 | //#include "ui_dialoglight.h"
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| 154 | //
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| 155 | //#include "CodePatterns/MemDebug.hpp"
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| 156 | //
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| 157 | //#include <iostream>
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| 158 | //#include <boost/shared_ptr.hpp>
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| 159 | //
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| 160 | //#include "LinearAlgebra/Line.hpp"
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| [6f0841] | 161 | //#include "Atom/atom.hpp"
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| [d238e7] | 162 | //#include "Bond/bond.hpp"
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| [3bdb6d] | 163 | //#include "Element/element.hpp"
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| [d238e7] | 164 | //#include "molecule.hpp"
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| [3bdb6d] | 165 | //#include "Element/periodentafel.hpp"
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| [d238e7] | 166 | //#include "World.hpp"
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| 167 | //
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| 168 | //#if defined(Q_CC_MSVC)
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| 169 | //#pragma warning(disable:4305) // init: truncation from const double to float
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| 170 | //#endif
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| 171 | //
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| 172 | //
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| 173 | //GLMoleculeView::GLMoleculeView(QWidget *parent) :
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| 174 | // QGLWidget(parent), Observer("GLMoleculeView"), X(Vector(1,0,0)), Y(Vector(0,1,0)), Z(Vector(0,0,1))
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| 175 | //{
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| 176 | // xRot = yRot = zRot = 0.0; // default object rotation
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| 177 | // scale = 5.; // default object scale
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| 178 | // object = 0;
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| 179 | // LightPosition[0] = 0.0f;
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| 180 | // LightPosition[1] = 2.0f;
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| 181 | // LightPosition[2] = 2.0f;
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| 182 | // LightPosition[3] = 0.0f;
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| 183 | // LightDiffuse[0] = 0.5f;
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| 184 | // LightDiffuse[1] = 0.5f;
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| 185 | // LightDiffuse[2] = 0.5f;
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| 186 | // LightDiffuse[3] = 0.0f;
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| 187 | // LightAmbient[0] = 0.0f;
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| 188 | // LightAmbient[1] = 0.0f;
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| 189 | // LightAmbient[2] = 0.0f;
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| 190 | // LightAmbient[3] = 0.0f;
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| 191 | //
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| 192 | // SelectionColor[0] = 0;
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| 193 | // SelectionColor[1] = 128;
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| 194 | // SelectionColor[2] = 128;
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| 195 | //
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| 196 | // MultiViewEnabled = true;
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| 197 | //
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| 198 | // isSignaller = false;
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| 199 | //
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| 200 | // World::getInstance().signOn(this);
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| 201 | //}
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| 202 | //
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| 203 | ///** Destructor of GLMoleculeView.
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| 204 | // * Free's the CallList.
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| 205 | // */
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| 206 | //GLMoleculeView::~GLMoleculeView()
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| 207 | //{
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| 208 | // makeCurrent();
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| 209 | // glDeleteLists( object, 1 );
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| 210 | //
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| 211 | // World::getInstance().signOff(this);
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| 212 | //}
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| 213 | //
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| 214 | ///** Paints the conents of the OpenGL window.
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| 215 | // * Clears the GL buffers, enables lighting and depth.
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| 216 | // * Window is either quartered (if GLMoleculeView::MultiViewEnabled) and xy, xz, yz planar views
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| 217 | // * are added. Uses the CallList, constructed during InitializeGL().
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| 218 | // */
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| 219 | //void GLMoleculeView::paintGL()
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| 220 | //{
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| 221 | // Vector spot;
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| 222 | //
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| 223 | // glClear (GL_COLOR_BUFFER_BIT | GL_DEPTH_BUFFER_BIT);
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| 224 | // glShadeModel(GL_SMOOTH); // Enable Smooth Shading
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| 225 | // glEnable(GL_LIGHTING); // Enable Light One
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| 226 | // glEnable(GL_DEPTH_TEST); // Enables Depth Testing
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| 227 | // glDepthFunc(GL_LEQUAL); // The Type Of Depth Testing To Do
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| 228 | // glHint(GL_PERSPECTIVE_CORRECTION_HINT, GL_NICEST); // Really Nice Perspective Calculations
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| 229 | //
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| 230 | // // 3d viewport
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| 231 | // if (MultiViewEnabled)
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| 232 | // glViewport( 0, 0, (GLint)width/2, (GLint)height/2 );
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| 233 | // else
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| 234 | // glViewport( 0, 0, (GLint)width, (GLint)height );
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| 235 | // glMatrixMode( GL_PROJECTION );
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| 236 | // glLoadIdentity();
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| 237 | // glFrustum( -1.0, 1.0, -1.0, 1.0, 1.0, 50.0 );
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| 238 | // glMatrixMode( GL_MODELVIEW );
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| 239 | // glLoadIdentity();
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| 240 | //
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| 241 | // // calculate point of view and direction
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| 242 | // glTranslated(position[0],position[1],position[2]);
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| 243 | // glTranslated(0.0, 0.0, -scale);
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| 244 | // glRotated(xRot, 1.0, 0.0, 0.0);
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| 245 | // glRotated(yRot, 0.0, 1.0, 0.0);
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| 246 | // glRotated(zRot, 0.0, 0.0, 1.0);
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| 247 | //
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| 248 | // // render scene
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| 249 | // glCallList(object);
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| 250 | //
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| 251 | // // enable light
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| 252 | // glLightfv(GL_LIGHT1, GL_AMBIENT, LightAmbient); // Setup The Ambient Light
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| 253 | // glLightfv(GL_LIGHT1, GL_DIFFUSE, LightDiffuse); // Setup The Diffuse Light
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| 254 | // glLightfv(GL_LIGHT1, GL_POSITION,LightPosition); // Position The Light
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| 255 | // glEnable(GL_LIGHT1); // Enable Light One
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| 256 | //
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| 257 | // if (MultiViewEnabled) {
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| 258 | // // xy view port
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| 259 | // glViewport( (GLint)width/2, 0, (GLint)width/2, (GLint)height/2 );
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| 260 | // glMatrixMode( GL_PROJECTION );
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| 261 | // glLoadIdentity();
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| 262 | // glScalef(1./scale, 1./scale,1./scale);
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| 263 | // glOrtho(0, width/2, 0, height/2, 0,0);
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| 264 | // glMatrixMode( GL_MODELVIEW );
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| 265 | // glLoadIdentity();
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| 266 | //
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| 267 | // // calculate point of view and direction
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| 268 | // view = position;
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| 269 | // spot = Vector(0.,0.,scale);
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| 270 | // top = Vector(0.,1.,0.);
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| 271 | // gluLookAt(
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| 272 | // spot[0], spot[1], spot[2],
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| 273 | // view[0], view[1], view[2],
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| 274 | // top[0], top[1], top[2]);
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| 275 | //
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| 276 | // // enable light
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| 277 | // glLightfv(GL_LIGHT1, GL_AMBIENT, LightAmbient); // Setup The Ambient Light
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| 278 | // glLightfv(GL_LIGHT1, GL_DIFFUSE, LightDiffuse); // Setup The Diffuse Light
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| 279 | // glLightfv(GL_LIGHT1, GL_POSITION,LightPosition); // Position The Light
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| 280 | // glEnable(GL_LIGHT1); // Enable Light One
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| 281 | //
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| 282 | // // render scene
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| 283 | // glCallList(object);
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| 284 | //
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| 285 | // // xz viewport
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| 286 | // glViewport( 0, (GLint)height/2, (GLint)width/2, (GLint)height/2 );
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| 287 | // glMatrixMode( GL_PROJECTION );
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| 288 | // glLoadIdentity();
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| 289 | // glScalef(1./scale, 1./scale,1./scale);
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| 290 | // glOrtho(0, width/2, 0, height/2, 0,0);
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| 291 | // glMatrixMode( GL_MODELVIEW );
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| 292 | // glLoadIdentity();
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| 293 | //
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| 294 | // // calculate point of view and direction
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| 295 | // view = position;
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| 296 | // spot = Vector(0.,scale,0.);
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| 297 | // top = Vector(1.,0.,0.);
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| 298 | // gluLookAt(
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| 299 | // spot[0], spot[1], spot[2],
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| 300 | // view[0], view[1], view[2],
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| 301 | // top[0], top[1], top[2]);
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| 302 | //
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| 303 | // // enable light
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| 304 | // glLightfv(GL_LIGHT1, GL_AMBIENT, LightAmbient); // Setup The Ambient Light
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| 305 | // glLightfv(GL_LIGHT1, GL_DIFFUSE, LightDiffuse); // Setup The Diffuse Light
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| 306 | // glLightfv(GL_LIGHT1, GL_POSITION,LightPosition); // Position The Light
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| 307 | // glEnable(GL_LIGHT1); // Enable Light One
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| 308 | //
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| 309 | // // render scene
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| 310 | // glCallList(object);
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| 311 | //
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| 312 | // //yz viewport
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| 313 | // glViewport( (GLint)width/2, (GLint)height/2, (GLint)width/2, (GLint)height/2 );
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| 314 | // glMatrixMode( GL_PROJECTION );
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| 315 | // glLoadIdentity();
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| 316 | // glScalef(1./scale, 1./scale,1./scale);
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| 317 | // glOrtho(0, width/2, 0, height/2, 0,0);
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| 318 | // glMatrixMode( GL_MODELVIEW );
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| 319 | // glLoadIdentity();
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| 320 | //
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| 321 | // // calculate point of view and direction
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| 322 | // view= position;
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| 323 | // spot = Vector(scale,0.,0.);
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| 324 | // top = Vector(0.,1.,0.);
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| 325 | // gluLookAt(
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| 326 | // spot[0], spot[1], spot[2],
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| 327 | // view[0], view[1], view[2],
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| 328 | // top[0], top[1], top[2]);
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| 329 | //
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| 330 | // // enable light
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| 331 | // glLightfv(GL_LIGHT1, GL_AMBIENT, LightAmbient); // Setup The Ambient Light
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| 332 | // glLightfv(GL_LIGHT1, GL_DIFFUSE, LightDiffuse); // Setup The Diffuse Light
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| 333 | // glLightfv(GL_LIGHT1, GL_POSITION,LightPosition); // Position The Light
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| 334 | // glEnable(GL_LIGHT1); // Enable Light One
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| 335 | //
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| 336 | // // render scene
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| 337 | // glCallList(object);
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| 338 | // }
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| 339 | // //CoordinatesBar->setText( QString ("X: %1, Y: %2, Z: %3").arg(position[0]).arg(position[1]).arg(position[2]) );
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| 340 | //}
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| 341 | //
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| 342 | ////void polarView{GLdouble distance, GLdouble twist,
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| 343 | //// GLdouble elevation, GLdouble azimuth)
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| 344 | ////{
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| 345 | //// glTranslated(0.0, 0.0, -distance);
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| 346 | //// glRotated(-twist, 0.0, 0.0, 1.0);
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| 347 | //// glRotated(-elevation, 1.0, 0.0, 0.0);
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| 348 | //// glRotated(azimuth, 0.0, 0.0, 1.0);
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| 349 | ////}
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| 350 | //
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| 351 | ///** Make a sphere.
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| 352 | // * \param x position
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| 353 | // * \param radius radius
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| 354 | // * \param color[3] color rgb values
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| 355 | // */
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| 356 | //void GLMoleculeView::makeSphere(const Vector &x, double radius, const unsigned char color[3])
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| 357 | //{
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| 358 | // 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
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| 359 | // GLUquadricObj* q = gluNewQuadric ();
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| 360 | // gluQuadricOrientation(q, GLU_OUTSIDE);
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| 361 | //
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| 362 | // std::cout << "Setting sphere at " << x << " with color r"
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| 363 | // << (int)color[0] << ",g" << (int)color[1] << ",b" << (int)color[2] << "." << endl;
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| 364 | //
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| 365 | // glPushMatrix();
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| 366 | // glTranslatef( x[0], x[1], x[2]);
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| 367 | //// glRotatef( xRot, 1.0, 0.0, 0.0);
|
|---|
| 368 | //// glRotatef( yRot, 0.0, 1.0, 0.0);
|
|---|
| 369 | //// glRotatef( zRot, 0.0, 0.0, 1.0);
|
|---|
| 370 | // glMaterialfv(GL_FRONT_AND_BACK, GL_AMBIENT_AND_DIFFUSE, blueMaterial);
|
|---|
| 371 | // gluSphere (q, (GLdouble)radius, 10, 10);
|
|---|
| 372 | // glPopMatrix();
|
|---|
| 373 | //}
|
|---|
| 374 | //
|
|---|
| 375 | ///** Make a cylinder.
|
|---|
| 376 | // * \param x origin
|
|---|
| 377 | // * \param y direction
|
|---|
| 378 | // * \param radius thickness
|
|---|
| 379 | // * \param height length
|
|---|
| 380 | // * \color[3] color rgb values
|
|---|
| 381 | // */
|
|---|
| 382 | //void GLMoleculeView::makeCylinder(const Vector &x, const Vector &y, double radius, double height, const unsigned char color[3])
|
|---|
| 383 | //{
|
|---|
| 384 | // float blueMaterial[] = { 255./(float)color[0], 255./(float)color[1], 255./(float)color[2], 1 };
|
|---|
| 385 | // GLUquadricObj* q = gluNewQuadric ();
|
|---|
| 386 | // gluQuadricOrientation(q, GLU_OUTSIDE);
|
|---|
| 387 | // Vector a,b;
|
|---|
| 388 | // Vector OtherAxis;
|
|---|
| 389 | // double alpha;
|
|---|
| 390 | // a = x - y;
|
|---|
| 391 | // // construct rotation axis
|
|---|
| 392 | // b = a;
|
|---|
| 393 | // b.VectorProduct(Z);
|
|---|
| 394 | // Line axis(zeroVec, b);
|
|---|
| 395 | // // calculate rotation angle
|
|---|
| 396 | // alpha = a.Angle(Z);
|
|---|
| 397 | // // construct other axis to check right-hand rule
|
|---|
| 398 | // OtherAxis = b;
|
|---|
| 399 | // OtherAxis.VectorProduct(Z);
|
|---|
| 400 | // // assure right-hand rule for the rotation
|
|---|
| 401 | // if (a.ScalarProduct(OtherAxis) < MYEPSILON)
|
|---|
| 402 | // alpha = M_PI-alpha;
|
|---|
| 403 | // // check
|
|---|
| 404 | // Vector a_rotated = axis.rotateVector(a, alpha);
|
|---|
| 405 | // std::cout << "Setting cylinder from "// << x << " to " << y
|
|---|
| 406 | // << a << " to " << a_rotated << " around " << b << " by " << alpha/M_PI*180. << ", respectively, "
|
|---|
| 407 | // << " with color r"
|
|---|
| 408 | // << (int)color[0] << ",g" << (int)color[1] << ",b" << (int)color[2] << "." << endl;
|
|---|
| 409 | //
|
|---|
| 410 | // glPushMatrix();
|
|---|
| 411 | // glTranslatef( x[0], x[1], x[2]);
|
|---|
| 412 | // glRotatef( alpha/M_PI*180., b[0], b[1], b[2]);
|
|---|
| 413 | // glMaterialfv(GL_FRONT_AND_BACK, GL_AMBIENT_AND_DIFFUSE, blueMaterial);
|
|---|
| 414 | // gluCylinder (q, (GLdouble)radius, (GLdouble)radius, (GLdouble)height, 10, 10);
|
|---|
| 415 | // glPopMatrix();
|
|---|
| 416 | //}
|
|---|
| 417 | //
|
|---|
| 418 | ///** Defines the display CallList.
|
|---|
| 419 | // * Goes through all molecules and their atoms and adds spheres for atoms and cylinders
|
|---|
| 420 | // * for bonds. Heeds GLMoleculeView::SelectedAtom and GLMoleculeView::SelectedMolecule.
|
|---|
| 421 | // */
|
|---|
| 422 | //void GLMoleculeView::initializeGL()
|
|---|
| 423 | //{
|
|---|
| 424 | // double x[3] = {-1, 0, -10};
|
|---|
| 425 | // unsigned char white[3] = {255,255,255};
|
|---|
| 426 | // Vector Position, OtherPosition;
|
|---|
| 427 | // QSize window = size();
|
|---|
| 428 | // width = window.width();
|
|---|
| 429 | // height = window.height();
|
|---|
| 430 | // std::cout << "Setting width to " << width << " and height to " << height << std::endl;
|
|---|
| 431 | // GLfloat shininess[] = { 0.0 };
|
|---|
| 432 | // GLfloat specular[] = { 0, 0, 0, 1 };
|
|---|
| 433 | // glClearColor(0.0f, 0.0f, 0.0f, 0.0f); // Let OpenGL clear to black
|
|---|
| 434 | // object = glGenLists(1);
|
|---|
| 435 | // glNewList( object, GL_COMPILE );
|
|---|
| 436 | // glMaterialfv(GL_FRONT_AND_BACK, GL_SPECULAR, specular);
|
|---|
| 437 | // glMaterialfv(GL_FRONT_AND_BACK, GL_SHININESS, shininess);
|
|---|
| 438 | //
|
|---|
| 439 | // const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
|
|---|
| 440 | //
|
|---|
| 441 | // if (molecules.size() > 0) {
|
|---|
| 442 | // for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
|
|---|
| 443 | // Runner != molecules.end();
|
|---|
| 444 | // Runner++) {
|
|---|
| 445 | // for (molecule::const_iterator atomiter = (*Runner)->begin();
|
|---|
| 446 | // atomiter != (*Runner)->end();
|
|---|
| 447 | // ++atomiter) {
|
|---|
| 448 | // // create atom
|
|---|
| 449 | // const element *ptr = (*atomiter)->getType();
|
|---|
| 450 | // boost::shared_ptr<Vector> MolCenter((*Runner)->DetermineCenterOfGravity());
|
|---|
| 451 | // Position = (*atomiter)->getPosition() - *MolCenter;
|
|---|
| 452 | // const unsigned char* color = NULL;
|
|---|
| 453 | // if ((World::getInstance().isSelected(*atomiter)) || (World::getInstance().isSelected((*Runner))))
|
|---|
| 454 | // color = SelectionColor;
|
|---|
| 455 | // else
|
|---|
| 456 | // color = ptr->getColor();
|
|---|
| 457 | // makeSphere(Position, ptr->getVanDerWaalsRadius()*0.25, color);
|
|---|
| 458 | //
|
|---|
| 459 | // // create bonds
|
|---|
| 460 | // const BondList &bonds = (*atomiter)->getListOfBonds();
|
|---|
| 461 | // for (BondList::const_iterator bonditer = bonds.begin();
|
|---|
| 462 | // bonditer != bonds.end();
|
|---|
| 463 | // ++bonditer) {
|
|---|
| 464 | // if ((*bonditer)->leftatom->getId() == (*atomiter)->getId()) {
|
|---|
| 465 | // Position = (*bonditer)->leftatom->getPosition() - *MolCenter;
|
|---|
| 466 | // OtherPosition = (*bonditer)->rightatom->getPosition() - *MolCenter;
|
|---|
| 467 | // const double distance = sqrt(Position.DistanceSquared(OtherPosition))/2.;
|
|---|
| 468 | // const unsigned char *color1 = (*bonditer)->leftatom->getType()->getColor();
|
|---|
| 469 | // const unsigned char *color2 = (*bonditer)->rightatom->getType()->getColor();
|
|---|
| 470 | // makeCylinder(Position, OtherPosition, 0.1, distance, color1);
|
|---|
| 471 | // makeCylinder(OtherPosition, Position, 0.1, distance, color2);
|
|---|
| 472 | // }
|
|---|
| 473 | // }
|
|---|
| 474 | // }
|
|---|
| 475 | // }
|
|---|
| 476 | // } else {
|
|---|
| 477 | // makeSphere( x,1, white);
|
|---|
| 478 | // }
|
|---|
| 479 | // glEndList();
|
|---|
| 480 | //}
|
|---|
| 481 | //
|
|---|
| 482 | //
|
|---|
| 483 | ///* ================================== SLOTS ============================== */
|
|---|
| 484 | //
|
|---|
| 485 | ///** Initializes some public variables.
|
|---|
| 486 | // * \param *ptr pointer to QLabel statusbar
|
|---|
| 487 | // */
|
|---|
| 488 | //void GLMoleculeView::init(QLabel *ptr)
|
|---|
| 489 | //{
|
|---|
| 490 | // StatusBar = ptr;
|
|---|
| 491 | //}
|
|---|
| 492 | //
|
|---|
| 493 | ///** Initializes the viewport statusbar.
|
|---|
| 494 | // * \param *ptr pointer to QLabel for showing view pointcoordinates.
|
|---|
| 495 | // */
|
|---|
| 496 | //void GLMoleculeView::initCoordinates(QLabel *ptr)
|
|---|
| 497 | //{
|
|---|
| 498 | // CoordinatesBar = ptr;
|
|---|
| 499 | //}
|
|---|
| 500 | //
|
|---|
| 501 | ///** Slot to be called when to initialize GLMoleculeView::MolData.
|
|---|
| 502 | // */
|
|---|
| 503 | //void GLMoleculeView::createView( )
|
|---|
| 504 | //{
|
|---|
| 505 | // initializeGL();
|
|---|
| 506 | // updateGL();
|
|---|
| 507 | //}
|
|---|
| 508 | //
|
|---|
| 509 | ///** Slot of window is resized.
|
|---|
| 510 | // * Copies new width and height to GLMoleculeView::width and GLMoleculeView::height and calls updateGL().
|
|---|
| 511 | // * \param w new width of window
|
|---|
| 512 | // * \param h new height of window
|
|---|
| 513 | // */
|
|---|
| 514 | //void GLMoleculeView::resizeGL( int w, int h )
|
|---|
| 515 | //{
|
|---|
| 516 | // width = w;
|
|---|
| 517 | // height = h;
|
|---|
| 518 | // updateGL();
|
|---|
| 519 | //}
|
|---|
| 520 | //
|
|---|
| 521 | ///** Sets x rotation angle.
|
|---|
| 522 | // * sets GLMoleculeView::xRot and calls updateGL().
|
|---|
| 523 | // * \param degrees new rotation angle in degrees
|
|---|
| 524 | // */
|
|---|
| 525 | //void GLMoleculeView::setXRotation( int degrees )
|
|---|
| 526 | //{
|
|---|
| 527 | // xRot = (GLfloat)(degrees % 360);
|
|---|
| 528 | // updateGL();
|
|---|
| 529 | //}
|
|---|
| 530 | //
|
|---|
| 531 | //
|
|---|
| 532 | ///** Sets y rotation angle.
|
|---|
| 533 | // * sets GLMoleculeView::yRot and calls updateGL().
|
|---|
| 534 | // * \param degrees new rotation angle in degrees
|
|---|
| 535 | // */
|
|---|
| 536 | //void GLMoleculeView::setYRotation( int degrees )
|
|---|
| 537 | //{
|
|---|
| 538 | // yRot = (GLfloat)(degrees % 360);
|
|---|
| 539 | // updateGL();
|
|---|
| 540 | //}
|
|---|
| 541 | //
|
|---|
| 542 | //
|
|---|
| 543 | ///** Sets z rotation angle.
|
|---|
| 544 | // * sets GLMoleculeView::zRot and calls updateGL().
|
|---|
| 545 | // * \param degrees new rotation angle in degrees
|
|---|
| 546 | // */
|
|---|
| 547 | //void GLMoleculeView::setZRotation( int degrees )
|
|---|
| 548 | //{
|
|---|
| 549 | // zRot = (GLfloat)(degrees % 360);
|
|---|
| 550 | // updateGL();
|
|---|
| 551 | //}
|
|---|
| 552 | //
|
|---|
| 553 | ///** Sets the scale of the scene.
|
|---|
| 554 | // * sets GLMoleculeView::scale and calls updateGL().
|
|---|
| 555 | // * \param distance distance divided by 100 is the new scale
|
|---|
| 556 | // */
|
|---|
| 557 | //void GLMoleculeView::setScale( int distance )
|
|---|
| 558 | //{
|
|---|
| 559 | // scale = (GLfloat)(distance / 100.);
|
|---|
| 560 | // updateGL();
|
|---|
| 561 | //}
|
|---|
| 562 | //
|
|---|
| 563 | ///** Update the ambient light.
|
|---|
| 564 | // * \param light[4] light strength per axis and position (w)
|
|---|
| 565 | // */
|
|---|
| 566 | //void GLMoleculeView::setLightAmbient( int *light )
|
|---|
| 567 | //{
|
|---|
| 568 | // for(int i=0;i<4;i++)
|
|---|
| 569 | // LightAmbient[i] = light[i];
|
|---|
| 570 | // updateGL();
|
|---|
| 571 | //}
|
|---|
| 572 | //
|
|---|
| 573 | ///** Update the diffuse light.
|
|---|
| 574 | // * \param light[4] light strength per axis and position (w)
|
|---|
| 575 | // */
|
|---|
| 576 | //void GLMoleculeView::setLightDiffuse( int *light )
|
|---|
| 577 | //{
|
|---|
| 578 | // for(int i=0;i<4;i++)
|
|---|
| 579 | // LightDiffuse[i] = light[i];
|
|---|
| 580 | // updateGL();
|
|---|
| 581 | //}
|
|---|
| 582 | //
|
|---|
| 583 | ///** Update the position of light.
|
|---|
| 584 | // * \param light[4] light strength per axis and position (w)
|
|---|
| 585 | // */
|
|---|
| 586 | //void GLMoleculeView::setLightPosition( int *light )
|
|---|
| 587 | //{
|
|---|
| 588 | // for(int i=0;i<4;i++)
|
|---|
| 589 | // LightPosition[i] = light[i];
|
|---|
| 590 | // updateGL();
|
|---|
| 591 | //}
|
|---|
| 592 | //
|
|---|
| 593 | ///** Toggles the boolean GLMoleculeView::MultiViewEnabled.
|
|---|
| 594 | // * Flips the boolean and calls updateGL().
|
|---|
| 595 | // */
|
|---|
| 596 | //void GLMoleculeView::toggleMultiViewEnabled ( )
|
|---|
| 597 | //{
|
|---|
| 598 | // MultiViewEnabled = !MultiViewEnabled;
|
|---|
| 599 | // cout << "Setting MultiView to " << MultiViewEnabled << "." << endl;
|
|---|
| 600 | // updateGL();
|
|---|
| 601 | //}
|
|---|
| 602 | //
|
|---|
| 603 | ///** Launch a dialog to configure the lights.
|
|---|
| 604 | // */
|
|---|
| 605 | //void GLMoleculeView::createDialogLight()
|
|---|
| 606 | //{
|
|---|
| 607 | //// Ui_DialogLight *Lights = new Ui_DialogLight();
|
|---|
| 608 | //// if (Lights == NULL)
|
|---|
| 609 | //// return;
|
|---|
| 610 | //// // Set up the dynamic dialog here
|
|---|
| 611 | //// QLineEdit *Field = NULL;
|
|---|
| 612 | //// Field = Lights->findChild<QLineEdit *>("LightPositionX");
|
|---|
| 613 | //// if (Field) Field->setText( QString("%1").arg(LightPosition[0]) );
|
|---|
| 614 | //// Field = Lights->findChild<QLineEdit *>("LightPositionY");
|
|---|
| 615 | //// if (Field) Field->setText( QString("%1").arg(LightPosition[1]) );
|
|---|
| 616 | //// Field = Lights->findChild<QLineEdit *>("LightPositionZ");
|
|---|
| 617 | //// if (Field) Field->setText( QString("%1").arg(LightPosition[2]) );
|
|---|
| 618 | //// Field = Lights->findChild<QLineEdit *>("LightPositionW");
|
|---|
| 619 | //// if (Field) Field->setText( QString("%1").arg(LightPosition[3]) );
|
|---|
| 620 | ////
|
|---|
| 621 | //// Field = Lights->findChild<QLineEdit *>("LightDiffuseX");
|
|---|
| 622 | //// if (Field) Field->setText( QString("%1").arg(LightDiffuse[0]) );
|
|---|
| 623 | //// Field = Lights->findChild<QLineEdit *>("LightDiffuseY");
|
|---|
| 624 | //// if (Field) Field->setText( QString("%1").arg(LightDiffuse[1]) );
|
|---|
| 625 | //// Field = Lights->findChild<QLineEdit *>("LightDiffuseZ");
|
|---|
| 626 | //// if (Field) Field->setText( QString("%1").arg(LightDiffuse[2]) );
|
|---|
| 627 | //// Field = Lights->findChild<QLineEdit *>("LightDiffuseW");
|
|---|
| 628 | //// if (Field) Field->setText( QString("%1").arg(LightDiffuse[3]) );
|
|---|
| 629 | ////
|
|---|
| 630 | //// Field = Lights->findChild<QLineEdit *>("LightAmbientX");
|
|---|
| 631 | //// if (Field) Field->setText( QString("%1").arg(LightAmbient[0]) );
|
|---|
| 632 | //// Field = Lights->findChild<QLineEdit *>("LightAmbientY");
|
|---|
| 633 | //// if (Field) Field->setText( QString("%1").arg(LightAmbient[1]) );
|
|---|
| 634 | //// Field = Lights->findChild<QLineEdit *>("LightAmbientZ");
|
|---|
| 635 | //// if (Field) Field->setText( QString("%1").arg(LightAmbient[2]) );
|
|---|
| 636 | //// Field = Lights->findChild<QLineEdit *>("LightAmbientW");
|
|---|
| 637 | //// if (Field) Field->setText( QString("%1").arg(LightAmbient[3]) );
|
|---|
| 638 | ////
|
|---|
| 639 | //// if ( Lights->exec() ) {
|
|---|
| 640 | //// //cout << "User accepted.\n";
|
|---|
| 641 | //// // The user accepted, act accordingly
|
|---|
| 642 | //// Field = Lights->findChild<QLineEdit *>("LightPositionX");
|
|---|
| 643 | //// if (Field) LightPosition[0] = Field->text().toDouble();
|
|---|
| 644 | //// Field = Lights->findChild<QLineEdit *>("LightPositionY");
|
|---|
| 645 | //// if (Field) LightPosition[1] = Field->text().toDouble();
|
|---|
| 646 | //// Field = Lights->findChild<QLineEdit *>("LightPositionZ");
|
|---|
| 647 | //// if (Field) LightPosition[2] = Field->text().toDouble();
|
|---|
| 648 | //// Field = Lights->findChild<QLineEdit *>("LightPositionW");
|
|---|
| 649 | //// if (Field) LightPosition[3] = Field->text().toDouble();
|
|---|
| 650 | ////
|
|---|
| 651 | //// Field = Lights->findChild<QLineEdit *>("LightDiffuseX");
|
|---|
| 652 | //// if (Field) LightDiffuse[0] = Field->text().toDouble();
|
|---|
| 653 | //// Field = Lights->findChild<QLineEdit *>("LightDiffuseY");
|
|---|
| 654 | //// if (Field) LightDiffuse[1] = Field->text().toDouble();
|
|---|
| 655 | //// Field = Lights->findChild<QLineEdit *>("LightDiffuseZ");
|
|---|
| 656 | //// if (Field) LightDiffuse[2] = Field->text().toDouble();
|
|---|
| 657 | //// Field = Lights->findChild<QLineEdit *>("LightDiffuseW");
|
|---|
| 658 | //// if (Field) LightDiffuse[3] = Field->text().toDouble();
|
|---|
| 659 | ////
|
|---|
| 660 | //// Field = Lights->findChild<QLineEdit *>("LightAmbientX");
|
|---|
| 661 | //// if (Field) LightAmbient[0] = Field->text().toDouble();
|
|---|
| 662 | //// Field = Lights->findChild<QLineEdit *>("LightAmbientY");
|
|---|
| 663 | //// if (Field) LightAmbient[1] = Field->text().toDouble();
|
|---|
| 664 | //// Field = Lights->findChild<QLineEdit *>("LightAmbientZ");
|
|---|
| 665 | //// if (Field) LightAmbient[2] = Field->text().toDouble();
|
|---|
| 666 | //// Field = Lights->findChild<QLineEdit *>("LightAmbientW");
|
|---|
| 667 | //// if (Field) LightAmbient[3] = Field->text().toDouble();
|
|---|
| 668 | //// updateGL();
|
|---|
| 669 | //// } else {
|
|---|
| 670 | //// //cout << "User reclined.\n";
|
|---|
| 671 | //// }
|
|---|
| 672 | //// delete(Lights);
|
|---|
| 673 | //}
|
|---|
| 674 | //
|
|---|
| 675 | ///** Slot for event of pressed mouse button.
|
|---|
| 676 | // * Switch discerns between buttons and stores position of event in GLMoleculeView::LeftButtonPos,
|
|---|
| 677 | // * GLMoleculeView::MiddleButtonPos or GLMoleculeView::RightButtonPos.
|
|---|
| 678 | // * \param *event structure containing information of the event
|
|---|
| 679 | // */
|
|---|
| 680 | //void GLMoleculeView::mousePressEvent(QMouseEvent *event)
|
|---|
| 681 | //{
|
|---|
| 682 | // std::cout << "MousePressEvent." << endl;
|
|---|
| 683 | // QPoint *pos = NULL;
|
|---|
| 684 | // switch (event->button()) { // get the right array
|
|---|
| 685 | // case Qt::LeftButton:
|
|---|
| 686 | // pos = &LeftButtonPos;
|
|---|
| 687 | // std::cout << "Left Button" << endl;
|
|---|
| 688 | // break;
|
|---|
| 689 | // case Qt::MidButton:
|
|---|
| 690 | // pos = &MiddleButtonPos;
|
|---|
| 691 | // std::cout << "Middle Button" << endl;
|
|---|
| 692 | // break;
|
|---|
| 693 | // case Qt::RightButton:
|
|---|
| 694 | // pos = &RightButtonPos;
|
|---|
| 695 | // std::cout << "Right Button" << endl;
|
|---|
| 696 | // break;
|
|---|
| 697 | // default:
|
|---|
| 698 | // break;
|
|---|
| 699 | // }
|
|---|
| 700 | // if (pos) { // store the position
|
|---|
| 701 | // pos->setX(event->pos().x());
|
|---|
| 702 | // pos->setY(event->pos().y());
|
|---|
| 703 | // std::cout << "Stored src position is (" << pos->x() << "," << pos->y() << ")." << endl;
|
|---|
| 704 | // } else {
|
|---|
| 705 | // std::cout << "pos is NULL." << endl;
|
|---|
| 706 | // }
|
|---|
| 707 | //}
|
|---|
| 708 | //
|
|---|
| 709 | ///** Slot for event of pressed mouse button.
|
|---|
| 710 | // * Switch discerns between buttons:
|
|---|
| 711 | // * -# Left Button: Rotates the view of the GLMoleculeView, relative to GLMoleculeView::LeftButtonPos.
|
|---|
| 712 | // * -# Middle Button: nothing
|
|---|
| 713 | // * -# Right Button: Shifts the selected molecule or atom, relative to GLMoleculeView::RightButtonPos.
|
|---|
| 714 | // * \param *event structure containing information of the event
|
|---|
| 715 | // */
|
|---|
| 716 | //void GLMoleculeView::mouseReleaseEvent(QMouseEvent *event)
|
|---|
| 717 | //{
|
|---|
| 718 | // std::cout << "MouseReleaseEvent." << endl;
|
|---|
| 719 | // QPoint *srcpos = NULL;
|
|---|
| 720 | // QPoint destpos = event->pos();
|
|---|
| 721 | // int Width = (MultiViewEnabled) ? width/2 : width;
|
|---|
| 722 | // int Height = (MultiViewEnabled) ? height/2 : height;
|
|---|
| 723 | // std::cout << "Received dest position is (" << destpos.x() << "," << destpos.y() << ")." << endl;
|
|---|
| 724 | // switch (event->button()) { // get the right array
|
|---|
| 725 | // case Qt::LeftButton: // LeftButton rotates the view
|
|---|
| 726 | // srcpos = &LeftButtonPos;
|
|---|
| 727 | // std::cout << "Left Button" << endl;
|
|---|
| 728 | // if (srcpos) { // subtract the position and act
|
|---|
| 729 | // std::cout << "Stored src position is (" << srcpos->x() << "," << srcpos->y() << ")." << endl;
|
|---|
| 730 | // destpos -= *srcpos;
|
|---|
| 731 | // std::cout << "Resulting diff position is (" << destpos.x() << "," << destpos.y() << ")." << endl;
|
|---|
| 732 | // std::cout << "Width and Height are " << Width << "," << Height << "." << endl;
|
|---|
| 733 | //
|
|---|
| 734 | // int pos = (int)floor((double)srcpos->x()/(double)Width) + ((int)floor((double)srcpos->y()/(double)Height))*2;
|
|---|
| 735 | // if ((MultiViewEnabled) && (pos != 2)) { // means four regions, and we are in a shifting one
|
|---|
| 736 | // // switch between three regions
|
|---|
| 737 | // // decide into which of the four screens the initial click has been made
|
|---|
| 738 | // std::cout << "Position is " << pos << "." << endl;
|
|---|
| 739 | // switch(pos) {
|
|---|
| 740 | // case 0: // lower left = xz
|
|---|
| 741 | // position[0] += -destpos.y()/100.;
|
|---|
| 742 | // position[2] += destpos.x()/100.;
|
|---|
| 743 | // break;
|
|---|
| 744 | // case 1: // lower right = yz
|
|---|
| 745 | // position[1] += -destpos.y()/100.;
|
|---|
| 746 | // position[2] += -destpos.x()/100.;
|
|---|
| 747 | // break;
|
|---|
| 748 | // case 2: // upper left = projected
|
|---|
| 749 | // std::cout << "This is impossible: Shifting in the projected region, we should rotate!." << endl;
|
|---|
| 750 | // break;
|
|---|
| 751 | // case 3: // upper right = xy
|
|---|
| 752 | // position[0] += destpos.x()/100.;
|
|---|
| 753 | // position[1] += -destpos.y()/100.;
|
|---|
| 754 | // break;
|
|---|
| 755 | // default:
|
|---|
| 756 | // std::cout << "click was not in any of the four regions." << endl;
|
|---|
| 757 | // break;
|
|---|
| 758 | // }
|
|---|
| 759 | // updateGL();
|
|---|
| 760 | // } else { // we are in rotation region
|
|---|
| 761 | // QWidget *Parent = parentWidget();
|
|---|
| 762 | // QSlider *sliderX = Parent->findChild<QSlider *>("sliderX");
|
|---|
| 763 | // QSlider *sliderY = Parent->findChild<QSlider *>("sliderY");
|
|---|
| 764 | // std::cout << sliderX << " and " << sliderY << endl;
|
|---|
| 765 | // if (sliderX) {
|
|---|
| 766 | // int xrange = sliderX->maximum() - sliderX->minimum();
|
|---|
| 767 | // double xValue = ((destpos.x() + Width) % Width);
|
|---|
| 768 | // xValue *= (double)xrange/(double)Width;
|
|---|
| 769 | // xValue += sliderX->value();
|
|---|
| 770 | // int xvalue = (int) xValue % xrange;
|
|---|
| 771 | // std::cout << "Setting x to " << xvalue << " within range " << xrange << "." << endl;
|
|---|
| 772 | // setXRotation(xvalue);
|
|---|
| 773 | // sliderX->setValue(xvalue);
|
|---|
| 774 | // } else {
|
|---|
| 775 | // std::cout << "sliderX is NULL." << endl;
|
|---|
| 776 | // }
|
|---|
| 777 | // if (sliderY) {
|
|---|
| 778 | // int yrange = sliderY->maximum() - sliderY->minimum();
|
|---|
| 779 | // double yValue = ((destpos.y() + Height) % Height);
|
|---|
| 780 | // yValue *= (double)yrange/(double)Height;
|
|---|
| 781 | // yValue += sliderY->value();
|
|---|
| 782 | // int yvalue = (int) yValue % yrange;
|
|---|
| 783 | // std::cout << "Setting y to " << yvalue << " within range " << yrange << "." << endl;
|
|---|
| 784 | // setYRotation(yvalue);
|
|---|
| 785 | // sliderY->setValue(yvalue);
|
|---|
| 786 | // } else {
|
|---|
| 787 | // std::cout << "sliderY is NULL." << endl;
|
|---|
| 788 | // }
|
|---|
| 789 | // }
|
|---|
| 790 | // } else {
|
|---|
| 791 | // std::cout << "srcpos is NULL." << endl;
|
|---|
| 792 | // }
|
|---|
| 793 | // break;
|
|---|
| 794 | //
|
|---|
| 795 | // case Qt::MidButton: // MiddleButton has no function so far
|
|---|
| 796 | // srcpos = &MiddleButtonPos;
|
|---|
| 797 | // std::cout << "Middle Button" << endl;
|
|---|
| 798 | // if (srcpos) { // subtract the position and act
|
|---|
| 799 | // QWidget *Parent = parentWidget();
|
|---|
| 800 | // QSlider *sliderZ = Parent->findChild<QSlider *>("sliderZ");
|
|---|
| 801 | // QSlider *sliderScale = Parent->findChild<QSlider *>("sliderScale");
|
|---|
| 802 | // std::cout << sliderZ << " and " << sliderScale << endl;
|
|---|
| 803 | // std::cout << "Stored src position is (" << srcpos->x() << "," << srcpos->y() << ")." << endl;
|
|---|
| 804 | // destpos -= *srcpos;
|
|---|
| 805 | // std::cout << "Resulting diff position is (" << destpos.x() << "," << destpos.y() << ")." << endl;
|
|---|
| 806 | // std::cout << "Width and Height are " << Width << "," << Height << "." << endl;
|
|---|
| 807 | // if (sliderZ) {
|
|---|
| 808 | // int xrange = sliderZ->maximum() - sliderZ->minimum();
|
|---|
| 809 | // double xValue = ((destpos.x() + Width) % Width);
|
|---|
| 810 | // xValue *= (double)xrange/(double)Width;
|
|---|
| 811 | // xValue += sliderZ->value();
|
|---|
| 812 | // int xvalue = (int) xValue % xrange;
|
|---|
| 813 | // std::cout << "Setting x to " << xvalue << " within range " << xrange << "." << endl;
|
|---|
| 814 | // setZRotation(xvalue);
|
|---|
| 815 | // sliderZ->setValue(xvalue);
|
|---|
| 816 | // } else {
|
|---|
| 817 | // std::cout << "sliderZ is NULL." << endl;
|
|---|
| 818 | // }
|
|---|
| 819 | // if (sliderScale) {
|
|---|
| 820 | // int yrange = sliderScale->maximum() - sliderScale->minimum();
|
|---|
| 821 | // double yValue = ((destpos.y() + Height) % Height);
|
|---|
| 822 | // yValue *= (double)yrange/(double)Height;
|
|---|
| 823 | // yValue += sliderScale->value();
|
|---|
| 824 | // int yvalue = (int) yValue % yrange;
|
|---|
| 825 | // std::cout << "Setting y to " << yvalue << " within range " << yrange << "." << endl;
|
|---|
| 826 | // setScale(yvalue);
|
|---|
| 827 | // sliderScale->setValue(yvalue);
|
|---|
| 828 | // } else {
|
|---|
| 829 | // std::cout << "sliderScale is NULL." << endl;
|
|---|
| 830 | // }
|
|---|
| 831 | // } else {
|
|---|
| 832 | // std::cout << "srcpos is NULL." << endl;
|
|---|
| 833 | // }
|
|---|
| 834 | // break;
|
|---|
| 835 | // break;
|
|---|
| 836 | //
|
|---|
| 837 | // case Qt::RightButton: // RightButton moves eitstdher the selected molecule or atom
|
|---|
| 838 | // srcpos = &RightButtonPos;
|
|---|
| 839 | // std::cout << "Right Button" << endl;
|
|---|
| 840 | // if (srcpos) { // subtract the position and act
|
|---|
| 841 | // std::cout << "Stored src position is (" << srcpos->x() << "," << srcpos->y() << ")." << endl;
|
|---|
| 842 | // destpos -= *srcpos;
|
|---|
| 843 | // std::cout << "Resulting diff position is (" << destpos.x() << "," << destpos.y() << ")." << endl;
|
|---|
| 844 | // std::cout << "Width and Height are " << Width << "," << Height << "." << endl;
|
|---|
| 845 | // if (MultiViewEnabled) {
|
|---|
| 846 | // // which vector to change
|
|---|
| 847 | // Vector SelectedPosition;
|
|---|
| 848 | // const std::vector<atom*> &SelectedAtoms = World::getInstance().getSelectedAtoms();
|
|---|
| 849 | // const std::vector<molecule*> &SelectedMolecules = World::getInstance().getSelectedMolecules();
|
|---|
| 850 | // if (SelectedMolecules.size()) {
|
|---|
| 851 | // if (SelectedAtoms.size())
|
|---|
| 852 | // SelectedPosition = (*SelectedAtoms.begin())->getPosition();
|
|---|
| 853 | // else
|
|---|
| 854 | // SelectedPosition = (*(*SelectedMolecules.begin())->begin())->getPosition();
|
|---|
| 855 | // }
|
|---|
| 856 | // // decide into which of the four screens the initial click has been made
|
|---|
| 857 | // int pos = (int)floor((double)srcpos->x()/(double)Width) + ((int)floor((double)srcpos->y()/(double)Height))*2;
|
|---|
| 858 | // if (!SelectedPosition.IsZero()) {
|
|---|
| 859 | // std::cout << "Position is " << pos << "." << endl;
|
|---|
| 860 | // switch(pos) {
|
|---|
| 861 | // case 0: // lower left = xz
|
|---|
| 862 | // SelectedPosition[0] += -destpos.y()/100.;
|
|---|
| 863 | // SelectedPosition[2] += destpos.x()/100.;
|
|---|
| 864 | // break;
|
|---|
| 865 | // case 1: // lower right = yz
|
|---|
| 866 | // SelectedPosition[1] += -destpos.y()/100.;
|
|---|
| 867 | // SelectedPosition[2] += -destpos.x()/100.;
|
|---|
| 868 | // break;
|
|---|
| 869 | // case 2: // upper left = projected
|
|---|
| 870 | // SelectedPosition[0] += destpos.x()/100.;
|
|---|
| 871 | // SelectedPosition[1] += destpos.y()/100.;
|
|---|
| 872 | // SelectedPosition[2] += destpos.y()/100.;
|
|---|
| 873 | // break;
|
|---|
| 874 | // case 3: // upper right = xy
|
|---|
| 875 | // SelectedPosition[0] += destpos.x()/100.;
|
|---|
| 876 | // SelectedPosition[1] += -destpos.y()/100.;
|
|---|
| 877 | // break;
|
|---|
| 878 | // default:
|
|---|
| 879 | // std::cout << "click was not in any of the four regions." << endl;
|
|---|
| 880 | // break;
|
|---|
| 881 | // }
|
|---|
| 882 | // } else {
|
|---|
| 883 | // std::cout << "Nothing selected." << endl;
|
|---|
| 884 | // }
|
|---|
| 885 | // // update Tables
|
|---|
| 886 | // if (SelectedMolecules.size()) {
|
|---|
| 887 | // isSignaller = true;
|
|---|
| 888 | // if (SelectedAtoms.size())
|
|---|
| 889 | // emit notifyAtomChanged( (*SelectedMolecules.begin()), (*SelectedAtoms.begin()), AtomPosition);
|
|---|
| 890 | // else
|
|---|
| 891 | // emit notifyMoleculeChanged( (*SelectedMolecules.begin()), MoleculePosition );
|
|---|
| 892 | // }
|
|---|
| 893 | // // update graphic
|
|---|
| 894 | // initializeGL();
|
|---|
| 895 | // updateGL();
|
|---|
| 896 | // } else {
|
|---|
| 897 | // cout << "MultiView is not enabled." << endl;
|
|---|
| 898 | // }
|
|---|
| 899 | // } else {
|
|---|
| 900 | // cout << "srcpos is NULL." << endl;
|
|---|
| 901 | // }
|
|---|
| 902 | // break;
|
|---|
| 903 | //
|
|---|
| 904 | // default:
|
|---|
| 905 | // break;
|
|---|
| 906 | // }
|
|---|
| 907 | //}
|
|---|
| 908 | //
|
|---|
| 909 | ///* ======================================== SLOTS ================================ */
|
|---|
| 910 | //
|
|---|
| 911 | ///** Hear announcement of selected molecule.
|
|---|
| 912 | // * \param *mol pointer to selected molecule
|
|---|
| 913 | // */
|
|---|
| 914 | //void GLMoleculeView::hearMoleculeSelected(molecule *mol)
|
|---|
| 915 | //{
|
|---|
| 916 | // if (isSignaller) { // if we emitted the signal, return
|
|---|
| 917 | // isSignaller = false;
|
|---|
| 918 | // return;
|
|---|
| 919 | // }
|
|---|
| 920 | // initializeGL();
|
|---|
| 921 | // updateGL();
|
|---|
| 922 | //};
|
|---|
| 923 | //
|
|---|
| 924 | ///** Hear announcement of selected atom.
|
|---|
| 925 | // * \param *mol pointer to molecule containing atom
|
|---|
| 926 | // * \param *Walker pointer to selected atom
|
|---|
| 927 | // */
|
|---|
| 928 | //void GLMoleculeView::hearAtomSelected(molecule *mol, atom *Walker)
|
|---|
| 929 | //{
|
|---|
| 930 | // if (isSignaller) { // if we emitted the signal, return
|
|---|
| 931 | // isSignaller = false;
|
|---|
| 932 | // return;
|
|---|
| 933 | // }
|
|---|
| 934 | // initializeGL();
|
|---|
| 935 | // updateGL();
|
|---|
| 936 | //};
|
|---|
| 937 | //
|
|---|
| 938 | ///** Hear announcement of changed molecule.
|
|---|
| 939 | // * \param *mol pointer to changed molecule
|
|---|
| 940 | // * \param type of change
|
|---|
| 941 | // */
|
|---|
| 942 | //void GLMoleculeView::hearMoleculeChanged(molecule *mol, enum ChangesinMolecule type)
|
|---|
| 943 | //{
|
|---|
| 944 | // if (isSignaller) { // if we emitted the signal, return
|
|---|
| 945 | // isSignaller = false;
|
|---|
| 946 | // return;
|
|---|
| 947 | // }
|
|---|
| 948 | // initializeGL();
|
|---|
| 949 | // updateGL();
|
|---|
| 950 | //};
|
|---|
| 951 | //
|
|---|
| 952 | ///** Hear announcement of changed atom.
|
|---|
| 953 | // * \param *mol pointer to molecule containing atom
|
|---|
| 954 | // * \param *Walker pointer to changed atom
|
|---|
| 955 | // * \param type type of change
|
|---|
| 956 | // */
|
|---|
| 957 | //void GLMoleculeView::hearAtomChanged(molecule *mol, atom *Walker, enum ChangesinAtom type)
|
|---|
| 958 | //{
|
|---|
| 959 | // if (isSignaller) { // if we emitted the signal, return
|
|---|
| 960 | // isSignaller = false;
|
|---|
| 961 | // return;
|
|---|
| 962 | // }
|
|---|
| 963 | // initializeGL();
|
|---|
| 964 | // updateGL();
|
|---|
| 965 | //};
|
|---|
| 966 | //
|
|---|
| 967 | ///** Hear announcement of changed element.
|
|---|
| 968 | // * \param *Runner pointer to changed element
|
|---|
| 969 | // * \param type of change
|
|---|
| 970 | // */
|
|---|
| 971 | //void GLMoleculeView::hearElementChanged(element *Runner, enum ChangesinElement type)
|
|---|
| 972 | //{
|
|---|
| 973 | // if (isSignaller) { // if we emitted the signal, return
|
|---|
| 974 | // isSignaller = false;
|
|---|
| 975 | // return;
|
|---|
| 976 | // }
|
|---|
| 977 | // switch(type) {
|
|---|
| 978 | // default:
|
|---|
| 979 | // case ElementName:
|
|---|
| 980 | // case ElementSymbol:
|
|---|
| 981 | // case ElementMass:
|
|---|
| 982 | // case ElementValence:
|
|---|
| 983 | // case ElementZ:
|
|---|
| 984 | // break;
|
|---|
| 985 | // case ElementCovalent:
|
|---|
| 986 | // case ElementVanderWaals:
|
|---|
| 987 | // initializeGL();
|
|---|
| 988 | // updateGL();
|
|---|
| 989 | // break;
|
|---|
| 990 | // }
|
|---|
| 991 | //};
|
|---|
| 992 | //
|
|---|
| 993 | ///** Hear announcement of added molecule.
|
|---|
| 994 | // * \param *mol pointer to added molecule
|
|---|
| 995 | // */
|
|---|
| 996 | //void GLMoleculeView::hearMoleculeAdded(molecule *mol)
|
|---|
| 997 | //{
|
|---|
| 998 | // if (isSignaller) { // if we emitted the signal, return
|
|---|
| 999 | // isSignaller = false;
|
|---|
| 1000 | // return;
|
|---|
| 1001 | // }
|
|---|
| 1002 | // initializeGL();
|
|---|
| 1003 | // updateGL();
|
|---|
| 1004 | //};
|
|---|
| 1005 | //
|
|---|
| 1006 | ///** Hear announcement of added atom.
|
|---|
| 1007 | // * \param *mol pointer to molecule containing atom
|
|---|
| 1008 | // * \param *Walker pointer to added atom
|
|---|
| 1009 | // */
|
|---|
| 1010 | //void GLMoleculeView::hearAtomAdded(molecule *mol, atom *Walker)
|
|---|
| 1011 | //{
|
|---|
| 1012 | // if (isSignaller) { // if we emitted the signal, return
|
|---|
| 1013 | // isSignaller = false;
|
|---|
| 1014 | // return;
|
|---|
| 1015 | // }
|
|---|
| 1016 | // initializeGL();
|
|---|
| 1017 | // updateGL();
|
|---|
| 1018 | //};
|
|---|
| 1019 | //
|
|---|
| 1020 | ///** Hear announcement of removed molecule.
|
|---|
| 1021 | // * \param *mol pointer to removed molecule
|
|---|
| 1022 | // */
|
|---|
| 1023 | //void GLMoleculeView::hearMoleculeRemoved(molecule *mol)
|
|---|
| 1024 | //{
|
|---|
| 1025 | // if (isSignaller) { // if we emitted the signal, return
|
|---|
| 1026 | // isSignaller = false;
|
|---|
| 1027 | // return;
|
|---|
| 1028 | // }
|
|---|
| 1029 | // initializeGL();
|
|---|
| 1030 | // updateGL();
|
|---|
| 1031 | //};
|
|---|
| 1032 | //
|
|---|
| 1033 | ///** Hear announcement of removed atom.
|
|---|
| 1034 | // * \param *mol pointer to molecule containing atom
|
|---|
| 1035 | // * \param *Walker pointer to removed atom
|
|---|
| 1036 | // */
|
|---|
| 1037 | //void GLMoleculeView::hearAtomRemoved(molecule *mol, atom *Walker)
|
|---|
| 1038 | //{
|
|---|
| 1039 | // if (isSignaller) { // if we emitted the signal, return
|
|---|
| 1040 | // isSignaller = false;
|
|---|
| 1041 | // return;
|
|---|
| 1042 | // }
|
|---|
| 1043 | // initializeGL();
|
|---|
| 1044 | // updateGL();
|
|---|
| 1045 | //};
|
|---|
| 1046 | //
|
|---|
| 1047 | //void GLMoleculeView::update(Observable *publisher)
|
|---|
| 1048 | //{
|
|---|
| 1049 | // initializeGL();
|
|---|
| 1050 | // updateGL();
|
|---|
| 1051 | //}
|
|---|
| 1052 | //
|
|---|
| 1053 | ///**
|
|---|
| 1054 | // * This method is called when a special named change
|
|---|
| 1055 | // * of the Observable occured
|
|---|
| 1056 | // */
|
|---|
| 1057 | //void GLMoleculeView::recieveNotification(Observable *publisher, Notification_ptr notification)
|
|---|
| 1058 | //{
|
|---|
| 1059 | // initializeGL();
|
|---|
| 1060 | // updateGL();
|
|---|
| 1061 | //}
|
|---|
| 1062 | //
|
|---|
| 1063 | ///**
|
|---|
| 1064 | // * This method is called when the observed object is destroyed.
|
|---|
| 1065 | // */
|
|---|
| 1066 | //void GLMoleculeView::subjectKilled(Observable *publisher)
|
|---|
| 1067 | //{
|
|---|
| 1068 | //
|
|---|
| 1069 | //}
|
|---|
| 1070 | //
|
|---|
| 1071 | //
|
|---|
| 1072 | //// new stuff
|
|---|
| 1073 | //
|
|---|
| 1074 | ///** Returns the ref to the Material for element No \a from the map.
|
|---|
| 1075 | // *
|
|---|
| 1076 | // * \note We create a new one if the element is missing.
|
|---|
| 1077 | // *
|
|---|
| 1078 | // * @param no element no
|
|---|
| 1079 | // * @return ref to QGLMaterial
|
|---|
| 1080 | // */
|
|---|
| 1081 | //QGLMaterial* GLMoleculeView::getMaterial(size_t no)
|
|---|
| 1082 | //{
|
|---|
| 1083 | // if (ElementNoMaterialMap.find(no) != ElementNoMaterialMap.end()){
|
|---|
| 1084 | // // get present one
|
|---|
| 1085 | //
|
|---|
| 1086 | // } else {
|
|---|
| 1087 | // ASSERT( (no >= 0) && (no < MAX_ELEMENTS),
|
|---|
| 1088 | // "GLMoleculeView::getMaterial() - Element no "+toString(no)+" is invalid.");
|
|---|
| 1089 | // // create new one
|
|---|
| 1090 | // LOG(1, "Creating new material for element "+toString(no)+".");
|
|---|
| 1091 | // QGLMaterial *newmaterial = new QGLMaterial(this);
|
|---|
| 1092 | // periodentafel *periode = World::getInstance().getPeriode();
|
|---|
| 1093 | // element *desiredelement = periode->FindElement(no);
|
|---|
| 1094 | // ASSERT(desiredelement != NULL,
|
|---|
| 1095 | // "GLMoleculeView::getMaterial() - desired element "+toString(no)+" not present in periodentafel.");
|
|---|
| 1096 | // const unsigned char* color = desiredelement->getColor();
|
|---|
| 1097 | // newmaterial->setAmbientColor( QColor(color[0], color[1], color[2]) );
|
|---|
| 1098 | // newmaterial->setSpecularColor( QColor(60, 60, 60) );
|
|---|
| 1099 | // newmaterial->setShininess( QColor(128) );
|
|---|
| 1100 | // ElementNoMaterialMap.insert( no, newmaterial);
|
|---|
| 1101 | // }
|
|---|
| 1102 | //}
|
|---|
| 1103 | //
|
|---|
| 1104 | //QGLSceneNode* GLMoleculeView::getAtom(size_t no)
|
|---|
| 1105 | //{
|
|---|
| 1106 | // // first some sensibility checks
|
|---|
| 1107 | // ASSERT(World::getInstance().getAtom(AtomById(no)) != NULL,
|
|---|
| 1108 | // "GLMoleculeView::getAtom() - desired atom "
|
|---|
| 1109 | // +toString(no)+" not present in the World.");
|
|---|
| 1110 | // ASSERT(AtomsinSceneMap.find(no) != AtomsinSceneMap.end(),
|
|---|
| 1111 | // "GLMoleculeView::getAtom() - desired atom "
|
|---|
| 1112 | // +toString(no)+" not present in the AtomsinSceneMap.");
|
|---|
| 1113 | //
|
|---|
| 1114 | // return AtomsinSceneMap[no];
|
|---|
| 1115 | //}
|
|---|
| 1116 | //
|
|---|
| 1117 | //QGLSceneNode* GLMoleculeView::getBond(size_t leftno, size_t rightno)
|
|---|
| 1118 | //{
|
|---|
| 1119 | // // first some sensibility checks
|
|---|
| 1120 | // ASSERT(World::getInstance().getAtom(AtomById(leftno)) != NULL,
|
|---|
| 1121 | // "GLMoleculeView::getAtom() - desired atom "
|
|---|
| 1122 | // +toString(leftno)+" of bond not present in the World.");
|
|---|
| 1123 | // ASSERT(World::getInstance().getAtom(AtomById(rightno)) != NULL,
|
|---|
| 1124 | // "GLMoleculeView::getAtom() - desired atom "
|
|---|
| 1125 | // +toString(rightno)+" of bond not present in the World.");
|
|---|
| 1126 | // ASSERT(AtomsinSceneMap.find(leftno) != AtomsinSceneMap.end(),
|
|---|
| 1127 | // "GLMoleculeView::getAtom() - desired atom "
|
|---|
| 1128 | // +toString(leftno)+" of bond not present in the AtomsinSceneMap.");
|
|---|
| 1129 | // ASSERT(AtomsinSceneMap.find(rightno) != AtomsinSceneMap.end(),
|
|---|
| 1130 | // "GLMoleculeView::getAtom() - desired atom "
|
|---|
| 1131 | // +toString(rightno)+" of bond not present in the AtomsinSceneMap.");
|
|---|
| 1132 | // ASSERT(leftno == rightno,
|
|---|
| 1133 | // "GLMoleculeView::getAtom() - bond must not be between the same atom: "
|
|---|
| 1134 | // +toString(leftno)+" == "+toString(rightno)+".");
|
|---|
| 1135 | //
|
|---|
| 1136 | // // then return with smaller index first
|
|---|
| 1137 | // if (leftno > rightno)
|
|---|
| 1138 | // return AtomsinSceneMap[ make_pair(rightno, leftno) ];
|
|---|
| 1139 | // else
|
|---|
| 1140 | // return AtomsinSceneMap[ make_pair(leftno, rightno) ];
|
|---|
| 1141 | //}
|
|---|
| 1142 | //
|
|---|