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 | * GLWorldScene.cpp
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10 | *
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11 | * This is based on the Qt3D example "teaservice", specifically parts of teaservice.cpp.
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12 | *
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13 | * Created on: Aug 17, 2011
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14 | * Author: heber
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15 | */
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16 |
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17 | // include config.h
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18 | #ifdef HAVE_CONFIG_H
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19 | #include <config.h>
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20 | #endif
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21 |
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22 | #include "GLWorldScene.hpp"
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23 |
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24 | #include "GLMoleculeObject.hpp"
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25 | #include "GLMoleculeObject_atom.hpp"
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26 | #include "GLMoleculeObject_bond.hpp"
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27 | #include "GLMoleculeObject_molecule.hpp"
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28 |
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29 | #include "CodePatterns/MemDebug.hpp"
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30 |
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31 | #include "CodePatterns/Log.hpp"
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32 |
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33 | #include "Actions/SelectionAction/Atoms/AtomByIdAction.hpp"
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34 | #include "Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp"
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35 | #include "Atom/atom.hpp"
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36 | #include "Bond/bond.hpp"
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37 | #include "Descriptors/AtomIdDescriptor.hpp"
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38 | #include "Helpers/helpers.hpp"
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39 | #include "molecule.hpp"
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40 | #include "World.hpp"
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41 |
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42 | #include <iostream>
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43 |
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44 | using namespace MoleCuilder;
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45 |
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46 | std::ostream &operator<<(std::ostream &ost, const GLWorldScene::BondIds &t)
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47 | {
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48 | ost << t.first << "," << t.second;
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49 | return ost;
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50 | }
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51 |
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52 | GLWorldScene::GLWorldScene(QObject *parent)
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53 | : QObject(parent)
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54 | {
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55 | init();
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56 |
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57 | //changeMaterials(false);
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58 | domainBoxMaterial = new QGLMaterial;
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59 | domainBoxMaterial->setAmbientColor(QColor(0,0,0,255));
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60 | domainBoxMaterial->setDiffuseColor(QColor(0,0,0,255));
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61 | domainBoxMaterial->setEmittedLight(QColor(150,160,200,255));
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62 | }
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63 |
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64 | GLWorldScene::~GLWorldScene()
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65 | {
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66 | // remove all elements
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67 | GLMoleculeObject::cleanMaterialMap();
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68 |
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69 | delete(domainBoxMaterial);
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70 | }
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71 |
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72 | /** Initialise the WorldScene with molecules and atoms from World.
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73 | *
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74 | */
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75 | void GLWorldScene::init()
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76 | {
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77 | const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
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78 |
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79 | if (molecules.size() > 0) {
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80 | for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
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81 | Runner != molecules.end();
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82 | Runner++) {
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83 |
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84 | for (molecule::const_iterator atomiter = (*Runner)->begin();
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85 | atomiter != (*Runner)->end();
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86 | ++atomiter) {
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87 | // create atom objects in scene
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88 | atomInserted(*atomiter);
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89 |
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90 | // create bond objects in scene
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91 | const BondList &bondlist = (*atomiter)->getListOfBonds();
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92 | for (BondList::const_iterator bonditer = bondlist.begin();
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93 | bonditer != bondlist.end();
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94 | ++bonditer) {
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95 | const bond *_bond = *bonditer;
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96 | const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == *atomiter) ?
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97 | GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
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98 | bondInserted(_bond, side);
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99 | }
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100 | }
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101 | }
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102 | }
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103 | }
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104 |
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105 | /** Adds an atom to the scene.
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106 | *
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107 | * @param _atom atom to add
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108 | */
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109 | void GLWorldScene::atomInserted(const atom *_atom)
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110 | {
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111 | LOG(3, "INFO: GLWorldScene: Received signal atomInserted for atom "+toString(_atom->getId())+".");
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112 | GLMoleculeObject_atom *atomObject = new GLMoleculeObject_atom(this, _atom);
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113 | AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
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114 | ASSERT(iter == AtomsinSceneMap.end(),
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115 | "GLWorldScene::atomAdded() - same atom "+_atom->getName()+" added again.");
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116 | AtomsinSceneMap.insert( make_pair(_atom->getId(), atomObject) );
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117 | connect (atomObject, SIGNAL(clicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
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118 | connect (atomObject, SIGNAL(changed()), this, SIGNAL(changed()));
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119 | connect (atomObject, SIGNAL(hoverChanged()), this, SIGNAL(changed()));
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120 | connect (atomObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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121 | connect (atomObject, SIGNAL(BondsInserted(const bond *, const GLMoleculeObject_bond::SideOfBond)), this, SLOT(bondInserted(const bond *, const GLMoleculeObject_bond::SideOfBond)));
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122 | //bondsChanged(_atom);
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123 | emit changeOccured();
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124 | }
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125 |
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126 | /** Removes an atom from the scene.
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127 | *
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128 | * @param _atom atom to remove
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129 | */
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130 | void GLWorldScene::atomRemoved(const atom *_atom)
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131 | {
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132 | LOG(3, "INFO: GLWorldScene: Received signal atomRemoved for atom "+toString(_atom->getId())+".");
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133 | // bonds are removed by signal coming from ~bond
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134 | // remove atoms
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135 | AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
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136 | ASSERT(iter != AtomsinSceneMap.end(),
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137 | "GLWorldScene::atomRemoved() - atom "+_atom->getName()+" not on display.");
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138 | GLMoleculeObject_atom *atomObject = iter->second;
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139 | atomObject->disconnect();
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140 | AtomsinSceneMap.erase(iter);
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141 | delete atomObject;
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142 | emit changeOccured();
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143 | }
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144 |
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145 | /** ....
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146 | *
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147 | */
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148 | void GLWorldScene::worldSelectionChanged()
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149 | {
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150 | LOG(3, "INFO: GLWorldScene: Received signal selectionChanged.");
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151 |
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152 | const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
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153 |
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154 | if (molecules.size() > 0) {
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155 | for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
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156 | Runner != molecules.end();
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157 | Runner++) {
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158 |
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159 | MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find((*Runner)->getId());
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160 | bool isSelected = World::getInstance().isSelected(*Runner);
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161 |
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162 | // molecule selected but not in scene?
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163 | if (isSelected && (iter == MoleculesinSceneMap.end())){
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164 | // -> create new mesh
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165 | GLMoleculeObject_molecule *molObject = new GLMoleculeObject_molecule(this, *Runner);
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166 | MoleculesinSceneMap.insert( make_pair((*Runner)->getId(), molObject) );
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167 | connect (molObject, SIGNAL(changed()), this, SIGNAL(changed()));
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168 | connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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169 | connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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170 | emit changed();
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171 | emit changeOccured();
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172 | }
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173 |
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174 | // molecule not selected but in scene?
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175 | if (!isSelected && (iter != MoleculesinSceneMap.end())){
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176 | // -> remove from scene
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177 | moleculeRemoved(*Runner);
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178 | }
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179 |
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180 | }
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181 | }
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182 | }
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183 |
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184 | /** Removes a molecule from the scene.
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185 | *
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186 | * @param _molecule molecule to remove
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187 | */
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188 | void GLWorldScene::moleculeRemoved(const molecule *_molecule)
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189 | {
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190 | LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_molecule->getId())+".");
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191 | MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_molecule->getId());
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192 |
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193 | // only remove if the molecule is in the scene
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194 | // (= is selected)
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195 | if (iter != MoleculesinSceneMap.end()){
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196 | GLMoleculeObject_molecule *molObject = iter->second;
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197 | molObject->disconnect();
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198 | MoleculesinSceneMap.erase(iter);
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199 | delete molObject;
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200 | emit changed();
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201 | emit changeOccured();
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202 | }
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203 | }
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204 |
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205 | /** Adds a bond to the scene.
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206 | *
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207 | * @param _bond bond to add
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208 | * @param side which side of the bond (left or right)
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209 | */
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210 | void GLWorldScene::bondInserted(const bond *_bond, const enum GLMoleculeObject_bond::SideOfBond side)
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211 | {
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212 | LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
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213 | //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
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214 |
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215 | BondIds ids;
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216 | switch (side) {
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217 | case GLMoleculeObject_bond::left:
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218 | ids = std::make_pair(_bond->leftatom->getId(), _bond->rightatom->getId());
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219 | break;
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220 | case GLMoleculeObject_bond::right:
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221 | ids = std::make_pair(_bond->rightatom->getId(), _bond->leftatom->getId());
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222 | break;
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223 | }
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224 | #ifndef NDEBUG
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225 | BondNodeMap::iterator iter = BondsinSceneMap.find(ids);
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226 | ASSERT(iter == BondsinSceneMap.end(),
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227 | "GLWorldScene::bondAdded() - same left-sided bond "+toString(*_bond)+" added again.");
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228 | #endif
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229 | GLMoleculeObject_bond *bondObject =
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230 | new GLMoleculeObject_bond(this, _bond, side);
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231 | connect (
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232 | bondObject, SIGNAL(BondRemoved(const atomId_t, const atomId_t)),
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233 | this, SLOT(bondRemoved(const atomId_t, const atomId_t)));
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234 | connect (bondObject, SIGNAL(changed()), this, SIGNAL(changed()));
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235 | BondsinSceneMap.insert( make_pair(ids, bondObject) );
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236 | // BondIdsinSceneMap.insert( Leftids );
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237 | emit changeOccured();
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238 | }
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239 |
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240 | /** Removes a bond from the scene.
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241 | *
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242 | * @param _bond bond to remove
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243 | */
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244 | void GLWorldScene::bondRemoved(const atomId_t leftnr, const atomId_t rightnr)
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245 | {
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246 | LOG(3, "INFO: GLWorldScene::bondRemoved() - Removing bond between "+toString(leftnr)+" and "+toString(rightnr)+".");
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247 | {
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248 | // left bond
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249 | const BondIds Leftids( make_pair(leftnr, rightnr) );
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250 | BondNodeMap::iterator leftiter = BondsinSceneMap.find( Leftids );
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251 | ASSERT(leftiter != BondsinSceneMap.end(),
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252 | "GLWorldScene::bondRemoved() - bond "+toString(leftnr)+"-"
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253 | +toString(rightnr)+" not on display.");
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254 | //GLMoleculeObject_bond *bondObject = leftiter->second;
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255 | BondsinSceneMap.erase(leftiter);
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256 | //delete bondObject; // is done by signal from bond itself
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257 | //LOG(4, "INFO: Still present bonds " << BondsinSceneMap << ".");
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258 | }
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259 |
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260 | emit changeOccured();
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261 | }
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262 |
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263 | void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
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264 | {
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265 | // Initialize all of the mesh objects that we have as children.
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266 | foreach (QObject *obj, children()) {
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267 | GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
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268 | if (meshobj)
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269 | meshobj->initialize(view, painter);
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270 | }
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271 | }
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272 |
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273 | void GLWorldScene::drawDomainBox(QGLPainter *painter) const
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274 | {
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275 | RealSpaceMatrix m = World::getInstance().getDomain().getM();
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276 | painter->modelViewMatrix().push();
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277 | painter->modelViewMatrix() *= QMatrix4x4(m.at(0,0), m.at(0,1), m.at(0,2), 0.0,
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278 | m.at(1,0), m.at(1,1), m.at(1,2), 0.0,
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279 | m.at(2,0), m.at(2,1), m.at(2,2), 0.0,
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280 | 0.0, 0.0, 0.0, 1.0);
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281 |
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282 | painter->setFaceMaterial(QGL::AllFaces, domainBoxMaterial);
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283 | //glEnable(GL_LINE_SMOOTH);
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284 | QVector3DArray array;
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285 | array.append(0, 0, 0); array.append(1, 0, 0);
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286 | array.append(1, 0, 0); array.append(1, 1, 0);
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287 | array.append(1, 1, 0); array.append(0, 1, 0);
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288 | array.append(0, 1, 0); array.append(0, 0, 0);
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289 |
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290 | array.append(0, 0, 1); array.append(1, 0, 1);
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291 | array.append(1, 0, 1); array.append(1, 1, 1);
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292 | array.append(1, 1, 1); array.append(0, 1, 1);
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293 | array.append(0, 1, 1); array.append(0, 0, 1);
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294 |
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295 | array.append(0, 0, 0); array.append(0, 0, 1);
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296 | array.append(1, 0, 0); array.append(1, 0, 1);
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297 | array.append(0, 1, 0); array.append(0, 1, 1);
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298 | array.append(1, 1, 0); array.append(1, 1, 1);
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299 | painter->clearAttributes();
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300 | painter->setVertexAttribute(QGL::Position, array);
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301 | painter->draw(QGL::Lines, 24);
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302 | painter->modelViewMatrix().pop();
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303 | }
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304 |
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305 | void GLWorldScene::draw(QGLPainter *painter) const
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306 | {
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307 | // Draw all of the mesh objects that we have as children.
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308 | foreach (QObject *obj, children()) {
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309 | GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
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310 | if (meshobj)
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311 | meshobj->draw(painter);
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312 | }
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313 |
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314 | drawDomainBox(painter);
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315 | }
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316 |
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317 | void GLWorldScene::atomClicked(atomId_t no)
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318 | {
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319 | LOG(3, "INFO: GLWorldScene - atom " << no << " has been clicked.");
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320 | const atom *Walker = World::getInstance().getAtom(AtomById(no));
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321 | if (!World::getInstance().isSelected(Walker))
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322 | SelectionAtomById(no);
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323 | else
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324 | SelectionNotAtomById(no);
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325 | emit clicked(no);
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326 | }
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327 |
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