1 | /*
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2 | * Project: MoleCuilder
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3 | * Description: creates and alters molecular systems
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4 | * Copyright (C) 2010-2012 University of Bonn. All rights reserved.
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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 | * GLMoleculeObject_atom.cpp
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10 | *
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11 | * Created on: Aug 17, 2011
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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 "GLMoleculeObject_atom.hpp"
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21 |
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22 | #include <Qt3D/qglbuilder.h>
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23 | #include <Qt3D/qglscenenode.h>
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24 | #include <Qt3D/qglsphere.h>
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25 |
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26 | #include "CodePatterns/MemDebug.hpp"
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27 |
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28 | #include "CodePatterns/Assert.hpp"
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29 | #include "CodePatterns/Log.hpp"
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30 | #include "CodePatterns/Observer/Notification.hpp"
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31 |
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32 | #include "Descriptors/AtomIdDescriptor.hpp"
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33 | #include "Element/element.hpp"
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34 | #include "LinearAlgebra/Vector.hpp"
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35 | #include "World.hpp"
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36 |
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37 | static QGLSceneNode * createAtom(QObject *parent)
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38 | {
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39 | QGLBuilder builder;
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40 | builder << QGLSphere(0.5);
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41 | QGLSceneNode *n = builder.finalizedSceneNode();
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42 | n->setParent(parent);
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43 | return n;
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44 | }
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45 |
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46 | GLMoleculeObject_atom::GLMoleculeObject_atom(QObject *parent, const atom *atomref) :
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47 | GLMoleculeObject(createAtom(parent), parent), Observer("GLMoleculeObject_atom"), _atom(atomref)
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48 | {
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49 | // sign on as observer (obtain non-const instance before)
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50 | atomref->signOn(this, AtomObservable::IndexChanged);
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51 | atomref->signOn(this, AtomObservable::PositionChanged);
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52 | atomref->signOn(this, AtomObservable::ElementChanged);
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53 | atomref->signOn(this, AtomObservable::BondsChanged);
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54 |
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55 | // set the object's id
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56 | resetProperties();
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57 |
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58 | LOG(2, "INFO: Created sphere for atom " << _atom->getId() << ".");
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59 |
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60 | connect( this, SIGNAL(clicked()), this, SLOT(wasClicked()));
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61 | }
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62 |
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63 | GLMoleculeObject_atom::~GLMoleculeObject_atom()
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64 | {
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65 | _atom->signOff(this, AtomObservable::IndexChanged);
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66 | _atom->signOff(this, AtomObservable::PositionChanged);
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67 | _atom->signOff(this, AtomObservable::ElementChanged);
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68 | _atom->signOff(this, AtomObservable::BondsChanged);
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69 | }
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70 |
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71 | void GLMoleculeObject_atom::update(Observable *publisher)
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72 | {
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73 | #ifdef LOG_OBSERVER
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74 | observerLog().addMessage() << "++ Update of Observer " << observerLog().getName(this) << " from atom "+toString(_atom->getId())+".";
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75 | #endif
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76 | resetProperties();
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77 | }
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78 |
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79 | void GLMoleculeObject_atom::resetPosition()
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80 | {
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81 | const Vector Position = _atom->getPosition();
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82 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new position is "+toString(Position)+".");
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83 | setPosition(QVector3D(Position[0], Position[1], Position[2]));
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84 | }
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85 |
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86 | void GLMoleculeObject_atom::resetElement()
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87 | {
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88 | size_t elementno = 0;
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89 | if (_atom->getType() != NULL) {
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90 | elementno = _atom->getType()->getNumber();
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91 | } else { // if no element yet, set to hydrogen
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92 | elementno = 1;
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93 | }
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94 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new element number is "+toString(elementno)+".");
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95 |
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96 | // set materials
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97 | QGLMaterial *elementmaterial = getMaterial(elementno);
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98 | ASSERT(elementmaterial != NULL,
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99 | "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function is NULL.");
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100 | setMaterial(elementmaterial);
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101 | QGLMaterial *hovermaterial = getMaterial(0); // 0 is the hover material
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102 | ASSERT(hovermaterial != NULL,
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103 | "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function for hover is NULL.");
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104 | setHoverMaterial(hovermaterial);
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105 |
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106 | // set scale
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107 | double radius = 0.;
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108 | if (_atom->getType() != NULL) {
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109 | radius = _atom->getType()->getVanDerWaalsRadius();
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110 | } else {
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111 | radius = 0.5;
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112 | }
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113 | setScale( radius );
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114 | }
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115 |
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116 | void GLMoleculeObject_atom::resetIndex()
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117 | {
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118 | const size_t atomno = _atom->getId();
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119 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new index is "+toString(atomno)+".");
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120 | setObjectId(atomno);
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121 | }
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122 |
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123 | void GLMoleculeObject_atom::resetProperties()
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124 | {
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125 | // set position
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126 | resetPosition();
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127 |
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128 | // set element
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129 | resetElement();
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130 |
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131 | // set the object's id
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132 | resetIndex();
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133 | }
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134 |
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135 | void GLMoleculeObject_atom::subjectKilled(Observable *publisher)
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136 | {}
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137 |
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138 | void GLMoleculeObject_atom::recieveNotification(Observable *publisher, Notification_ptr notification)
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139 | {
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140 | #ifdef LOG_OBSERVER
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141 | observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
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142 | << " received notification from atom " << _atom->getId() << " for channel "
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143 | << notification->getChannelNo() << ".";
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144 | #endif
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145 | switch (notification->getChannelNo()) {
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146 | case AtomObservable::ElementChanged:
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147 | resetElement();
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148 | break;
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149 | case AtomObservable::IndexChanged:
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150 | resetIndex();
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151 | break;
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152 | case AtomObservable::PositionChanged:
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153 | resetPosition();
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154 | break;
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155 | case AtomObservable::BondsChanged:
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156 | emit BondsChanged(_atom);
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157 | break;
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158 | default:
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159 | //setProperties();
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160 | break;
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161 | }
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162 | }
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163 |
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164 | void GLMoleculeObject_atom::wasClicked()
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165 | {
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166 | LOG(4, "INFO: GLMoleculeObject_atom: atom " << _atom->getId() << " has been clicked");
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167 | emit clicked(_atom->getId());
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168 | }
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