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) 2010-2011 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 |
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28 | #include "CodePatterns/MemDebug.hpp"
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29 |
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30 | #include "CodePatterns/Log.hpp"
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31 |
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32 | #include "Actions/SelectionAction/Atoms/AtomByIdAction.hpp"
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33 | #include "Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp"
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34 | #include "atom.hpp"
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35 | #include "Bond/bond.hpp"
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36 | #include "Descriptors/AtomIdDescriptor.hpp"
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37 | #include "Helpers/helpers.hpp"
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38 | #include "molecule.hpp"
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39 | #include "World.hpp"
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40 |
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41 | using namespace MoleCuilder;
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42 |
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43 | GLWorldScene::GLWorldScene(QObject *parent)
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44 | : QObject(parent)
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45 | {
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46 | init();
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47 |
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48 | //changeMaterials(false);
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49 | }
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50 |
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51 | GLWorldScene::~GLWorldScene()
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52 | {
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53 | // remove all elements
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54 | GLMoleculeObject::cleanMaterialMap();
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55 | }
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56 |
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57 | /** Initialise the WorldScene with molecules and atoms from World.
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58 | *
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59 | */
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60 | void GLWorldScene::init()
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61 | {
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62 | const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
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63 |
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64 | if (molecules.size() > 0) {
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65 | for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
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66 | Runner != molecules.end();
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67 | Runner++) {
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68 | // create molecule
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69 | for (molecule::const_iterator atomiter = (*Runner)->begin();
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70 | atomiter != (*Runner)->end();
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71 | ++atomiter) {
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72 | // create atom objects in scene
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73 | atomInserted(*atomiter);
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74 |
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75 | // create bond objects in scene
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76 | bondsChanged(*atomiter);
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77 | }
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78 | }
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79 | }
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80 | }
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81 |
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82 | /** Adds an atom to the scene.
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83 | *
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84 | * @param _atom atom to add
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85 | */
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86 | void GLWorldScene::atomInserted(const atom *_atom)
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87 | {
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88 | LOG(0, "GLWorldScene: Received signal atomInserted for atom "+toString(_atom->getId())+".");
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89 | GLMoleculeObject_atom *atomObject = new GLMoleculeObject_atom(this, _atom);
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90 | AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
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91 | ASSERT(iter == AtomsinSceneMap.end(),
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92 | "GLWorldScene::atomAdded() - same atom "+_atom->getName()+" added again.");
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93 | AtomsinSceneMap.insert( make_pair(_atom->getId(), atomObject) );
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94 | connect (atomObject, SIGNAL(clicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
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95 | connect (atomObject, SIGNAL(hoverChanged()), this, SIGNAL(changed()));
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96 | connect (atomObject, SIGNAL(BondsChanged(const atom *)), this, SLOT(bondsChanged(const atom *)));
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97 | bondsChanged(_atom);
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98 | emit changeOccured();
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99 | }
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100 |
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101 | /** Removes an atom from the scene.
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102 | *
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103 | * @param _atom atom to remove
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104 | */
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105 | void GLWorldScene::atomRemoved(const atom *_atom)
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106 | {
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107 | LOG(0, "GLWorldScene: Received signal atomRemoved for atom "+toString(_atom->getId())+".");
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108 | // remove all its bonds
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109 | const BondList& bondlist = _atom->getListOfBonds();
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110 | for (BondList::const_iterator iter = bondlist.begin(); iter != bondlist.end(); ++iter) {
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111 | bondRemoved((*iter)->leftatom->getId(), (*iter)->rightatom->getId());
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112 | bondRemoved((*iter)->rightatom->getId(), (*iter)->leftatom->getId());
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113 | }
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114 | // remove atoms
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115 | AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
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116 | ASSERT(iter != AtomsinSceneMap.end(),
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117 | "GLWorldScene::atomRemoved() - atom "+_atom->getName()+" not on display.");
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118 | GLMoleculeObject_atom *atomObject = iter->second;
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119 | atomObject->disconnect();
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120 | AtomsinSceneMap.erase(iter);
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121 | delete atomObject;
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122 | emit changeOccured();
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123 | }
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124 |
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125 | /** Updates the bond structure of the signaled \a _atom.
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126 | *
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127 | * @param _atom atom whose bonds changed.
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128 | */
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129 | void GLWorldScene::bondsChanged(const atom *_atom)
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130 | {
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131 | const atomId_t id = _atom->getId();
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132 |
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133 | // create list with all present bonds
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134 | std::set< atomId_t > presentBonds;
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135 | std::pair< BondIdsMap::const_iterator, BondIdsMap::const_iterator> range =
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136 | BondIdsinSceneMap.equal_range( id );
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137 | for (BondIdsMap::const_iterator iter = range.first; iter != range.second; ++iter) {
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138 | const atomId_t otherid = iter->second;
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139 | #ifndef NDEBUG
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140 | std::set< atomId_t >::const_iterator iter = presentBonds.find(otherid);
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141 | ASSERT(iter == presentBonds.end(),
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142 | "GLWorldScene::BondsChanged() - bond id "+toString(otherid)+" for atom "
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143 | +toString(id)+" present twice.");
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144 | #endif
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145 | presentBonds.insert( otherid );
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146 | }
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147 | LOG(0, "We have the following bonds: "+toString(presentBonds)+".");
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148 |
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149 | // search for added bonds
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150 | const BondList &bondlist = _atom->getListOfBonds();
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151 | for (BondList::const_iterator bonditer = bondlist.begin();
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152 | bonditer != bondlist.end();
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153 | ++bonditer) {
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154 | const bond *_bond = *bonditer;
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155 | const atomId_t otherid = _bond->GetOtherAtom(_atom)->getId();
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156 | const BondIds ids = std::make_pair( id, otherid );
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157 | BondNodeMap::const_iterator iter = BondsinSceneMap.find(ids);
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158 | if (iter != BondsinSceneMap.end()) {
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159 | // bond is already present
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160 | std::set< atomId_t >::const_iterator iter = presentBonds.find(otherid);
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161 | ASSERT(iter != presentBonds.end(),
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162 | "GLWorldScene::BondsChanged() - other id "+toString(otherid)+" for atom "
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163 | +toString(_atom->getId())+" not present in BondIdsinSceneMap.");
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164 | presentBonds.erase(otherid);
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165 | LOG(0, "Removing "+toString(otherid)+" from presentBonds.");
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166 | } else {
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167 | // insert new bond
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168 | bondInserted(_bond);
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169 | }
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170 | }
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171 | LOG(0, "The following bonds should not be present: "+toString(presentBonds)+".");
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172 |
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173 | // remove all still presentBonds
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174 | for (std::set< atomId_t >::iterator iter = presentBonds.begin();
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175 | !presentBonds.empty(); iter = presentBonds.begin()) {
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176 | bondRemoved( id, *iter );
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177 | }
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178 | }
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179 |
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180 | /** Adds a bond to the scene.
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181 | *
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182 | * @param _bond bond to add
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183 | */
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184 | void GLWorldScene::bondInserted(const bond *_bond)
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185 | {
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186 | LOG(0, "GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
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187 | const double distance =
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188 | _bond->leftatom->getPosition().distance(_bond->rightatom->getPosition())/2.;
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189 | {
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190 | // left bond
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191 | const BondIds Leftids( make_pair(_bond->leftatom->getId(), _bond->rightatom->getId()) );
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192 | BondNodeMap::iterator iter = BondsinSceneMap.find(Leftids);
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193 | ASSERT(iter == BondsinSceneMap.end(),
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194 | "GLWorldScene::bondAdded() - same left-sided bond "+toString(*_bond)+" added again.");
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195 | GLMoleculeObject_bond *bondObject =
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196 | new GLMoleculeObject_bond(this, _bond, distance, GLMoleculeObject_bond::left);
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197 | BondsinSceneMap.insert( make_pair(Leftids, bondObject) );
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198 | BondIdsinSceneMap.insert( Leftids );
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199 | }
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200 | {
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201 | // right bond
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202 | const BondIds Rightids( make_pair(_bond->rightatom->getId(), _bond->leftatom->getId()) );
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203 | BondNodeMap::iterator iter = BondsinSceneMap.find(Rightids);
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204 | ASSERT(iter == BondsinSceneMap.end(),
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205 | "GLWorldScene::bondAdded() - same right-sided bond "+toString(*_bond)+" added again.");
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206 | GLMoleculeObject_bond *bondObject =
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207 | new GLMoleculeObject_bond(this, _bond, distance, GLMoleculeObject_bond::right);
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208 | BondsinSceneMap.insert( make_pair(Rightids, bondObject) );
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209 | BondIdsinSceneMap.insert( Rightids );
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210 | }
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211 | emit changeOccured();
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212 | }
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213 |
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214 | /** Removes a bond from the scene.
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215 | *
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216 | * @param _bond bond to remove
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217 | */
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218 | void GLWorldScene::bondRemoved(const atomId_t leftnr, const atomId_t rightnr)
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219 | {
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220 | LOG(0, "GLWorldScene::bondRemoved() - Removing bond between "+toString(leftnr)+" and "+toString(leftnr)+".");
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221 | {
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222 | // left bond
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223 | const BondIds Leftids( make_pair(leftnr, rightnr) );
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224 | BondNodeMap::iterator leftiter = BondsinSceneMap.find( Leftids );
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225 | ASSERT(leftiter != BondsinSceneMap.end(),
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226 | "GLWorldScene::bondRemoved() - bond "+toString(leftnr)+"-"
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227 | +toString(rightnr)+" not on display.");
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228 | GLMoleculeObject_bond *bondObject = leftiter->second;
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229 | BondsinSceneMap.erase(leftiter);
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230 | delete bondObject;
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231 | }
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232 | // remove from bond ids
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233 | std::pair<BondIdsMap::iterator, BondIdsMap::iterator> leftrange =
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234 | BondIdsinSceneMap.equal_range(leftnr);
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235 | BondIdsMap::iterator iter;
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236 | for (iter = leftrange.first; iter != leftrange.second; ++iter) {
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237 | if (iter->second == rightnr) {
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238 | BondIdsinSceneMap.erase(iter);
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239 | break;
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240 | }
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241 | }
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242 | ASSERT(iter != leftrange.second,
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243 | "GLWorldScene::bondRemoved() - could not find ("
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244 | +toString(leftnr)+"-"+toString(rightnr)+" in BondIdsinSceneMap.");
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245 | emit changeOccured();
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246 | }
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247 |
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248 | void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
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249 | {
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250 | // Initialize all of the mesh objects that we have as children.
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251 | foreach (QObject *obj, children()) {
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252 | GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
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253 | if (meshobj)
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254 | meshobj->initialize(view, painter);
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255 | }
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256 | }
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257 |
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258 | void GLWorldScene::draw(QGLPainter *painter) const
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259 | {
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260 | // Draw all of the mesh objects that we have as children.
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261 | foreach (QObject *obj, children()) {
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262 | GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
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263 | if (meshobj)
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264 | meshobj->draw(painter);
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265 | }
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266 | }
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267 |
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268 | void GLWorldScene::atomClicked(atomId_t no)
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269 | {
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270 | qDebug("GLWorldScene: atom %d has been clicked.", no);
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271 | const atom *Walker = World::getInstance().getAtom(AtomById(no));
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272 | if (!World::getInstance().isSelected(Walker))
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273 | SelectionAtomById(no);
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274 | else
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275 | SelectionNotAtomById(no);
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276 | emit clicked(no);
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277 | }
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278 |
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