| [907636] | 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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| [907636] | 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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| [7188b1] | 25 | #include "GLMoleculeObject_atom.hpp"
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 | 26 | #include "GLMoleculeObject_bond.hpp"
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| [c67518] | 27 | #include "GLMoleculeObject_molecule.hpp"
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| [907636] | 28 | 
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 | 29 | #include "CodePatterns/MemDebug.hpp"
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 | 30 | 
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| [7188b1] | 31 | #include "CodePatterns/Log.hpp"
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 | 32 | 
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| [0e9ffe] | 33 | #include "Actions/SelectionAction/Atoms/AtomByIdAction.hpp"
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| [89643d] | 34 | #include "Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp"
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| [6f0841] | 35 | #include "Atom/atom.hpp"
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| [7188b1] | 36 | #include "Bond/bond.hpp"
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| [89643d] | 37 | #include "Descriptors/AtomIdDescriptor.hpp"
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| [37b2575] | 38 | #include "Helpers/helpers.hpp"
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| [907636] | 39 | #include "molecule.hpp"
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 | 40 | #include "World.hpp"
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 | 41 | 
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| [2ad1ec] | 42 | #include <iostream>
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 | 43 | 
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| [ce7fdc] | 44 | using namespace MoleCuilder;
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| [907636] | 45 | 
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| [2ad1ec] | 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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| [907636] | 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 | }
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 | 59 | 
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 | 60 | GLWorldScene::~GLWorldScene()
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| [7188b1] | 61 | {
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 | 62 |   // remove all elements
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 | 63 |   GLMoleculeObject::cleanMaterialMap();
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 | 64 | }
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| [907636] | 65 | 
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 | 66 | /** Initialise the WorldScene with molecules and atoms from World.
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 | 67 |  *
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 | 68 |  */
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 | 69 | void GLWorldScene::init()
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 | 70 | {
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 | 71 |   const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
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 | 72 | 
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 | 73 |   if (molecules.size() > 0) {
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 | 74 |     for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
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 | 75 |         Runner != molecules.end();
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 | 76 |         Runner++) {
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| [c67518] | 77 | 
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| [7188b1] | 78 |       for (molecule::const_iterator atomiter = (*Runner)->begin();
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 | 79 |           atomiter != (*Runner)->end();
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 | 80 |           ++atomiter) {
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 | 81 |         // create atom objects in scene
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 | 82 |         atomInserted(*atomiter);
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 | 83 | 
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| [9c18e4] | 84 |         // create bond objects in scene
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| [2ad1ec] | 85 |         const BondList &bondlist = (*atomiter)->getListOfBonds();
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 | 86 |         for (BondList::const_iterator bonditer = bondlist.begin();
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 | 87 |             bonditer != bondlist.end();
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 | 88 |             ++bonditer) {
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 | 89 |           const bond *_bond = *bonditer;
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 | 90 |           const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == *atomiter) ?
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 | 91 |               GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
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 | 92 |           bondInserted(_bond, side);
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 | 93 |         }
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| [7188b1] | 94 |       }
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| [907636] | 95 |     }
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 | 96 |   }
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 | 97 | }
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 | 98 | 
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| [7188b1] | 99 | /** Adds an atom to the scene.
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 | 100 |  *
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 | 101 |  * @param _atom atom to add
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 | 102 |  */
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 | 103 | void GLWorldScene::atomInserted(const atom *_atom)
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| [907636] | 104 | {
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| [57a770] | 105 |   LOG(3, "INFO: GLWorldScene: Received signal atomInserted for atom "+toString(_atom->getId())+".");
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| [7188b1] | 106 |   GLMoleculeObject_atom *atomObject = new GLMoleculeObject_atom(this, _atom);
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| [37b2575] | 107 |   AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
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 | 108 |   ASSERT(iter == AtomsinSceneMap.end(),
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| [7188b1] | 109 |       "GLWorldScene::atomAdded() - same atom "+_atom->getName()+" added again.");
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| [37b2575] | 110 |   AtomsinSceneMap.insert( make_pair(_atom->getId(), atomObject) );
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| [7188b1] | 111 |   connect (atomObject, SIGNAL(clicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
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| [5a2a06] | 112 |   connect (atomObject, SIGNAL(changed()), this, SIGNAL(changed()));
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| [a099d3] | 113 |   connect (atomObject, SIGNAL(hoverChanged()), this, SIGNAL(changed()));
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| [5a2a06] | 114 |   connect (atomObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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| [2ad1ec] | 115 |   connect (atomObject, SIGNAL(BondsInserted(const bond *, const GLMoleculeObject_bond::SideOfBond)), this, SLOT(bondInserted(const bond *, const GLMoleculeObject_bond::SideOfBond)));
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 | 116 |   //bondsChanged(_atom);
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| [65487f] | 117 |   emit changeOccured();
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| [7188b1] | 118 | }
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 | 119 | 
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 | 120 | /** Removes an atom from the scene.
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 | 121 |  *
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 | 122 |  * @param _atom atom to remove
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 | 123 |  */
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 | 124 | void GLWorldScene::atomRemoved(const atom *_atom)
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 | 125 | {
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| [57a770] | 126 |   LOG(3, "INFO: GLWorldScene: Received signal atomRemoved for atom "+toString(_atom->getId())+".");
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| [2ad1ec] | 127 |   // bonds are removed by signal coming from ~bond
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| [7188b1] | 128 |   // remove atoms
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| [37b2575] | 129 |   AtomNodeMap::iterator iter = AtomsinSceneMap.find(_atom->getId());
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 | 130 |   ASSERT(iter != AtomsinSceneMap.end(),
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| [7188b1] | 131 |       "GLWorldScene::atomRemoved() - atom "+_atom->getName()+" not on display.");
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 | 132 |   GLMoleculeObject_atom *atomObject = iter->second;
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 | 133 |   atomObject->disconnect();
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| [37b2575] | 134 |   AtomsinSceneMap.erase(iter);
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| [7188b1] | 135 |   delete atomObject;
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| [65487f] | 136 |   emit changeOccured();
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| [907636] | 137 | }
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 | 138 | 
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| [3927ef] | 139 | /** ....
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| [c67518] | 140 |  *
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 | 141 |  */
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| [3927ef] | 142 | void GLWorldScene::worldSelectionChanged()
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| [c67518] | 143 | {
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| [3927ef] | 144 |   LOG(3, "INFO: GLWorldScene: Received signal selectionChanged.");
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 | 145 | 
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 | 146 |   const std::vector<molecule*> &molecules = World::getInstance().getAllMolecules();
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 | 147 | 
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 | 148 |   if (molecules.size() > 0) {
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 | 149 |     for (std::vector<molecule*>::const_iterator Runner = molecules.begin();
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 | 150 |         Runner != molecules.end();
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 | 151 |         Runner++) {
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 | 152 | 
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 | 153 |       MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find((*Runner)->getId());
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 | 154 |       bool isSelected = World::getInstance().isSelected(*Runner);
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 | 155 | 
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 | 156 |       // molecule selected but not in scene?
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 | 157 |       if (isSelected && (iter == MoleculesinSceneMap.end())){
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 | 158 |         // -> create new mesh
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 | 159 |         GLMoleculeObject_molecule *molObject = new GLMoleculeObject_molecule(this, *Runner);
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 | 160 |         MoleculesinSceneMap.insert( make_pair((*Runner)->getId(), molObject) );
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 | 161 |         connect (molObject, SIGNAL(changed()), this, SIGNAL(changed()));
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 | 162 |         connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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 | 163 |         connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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 | 164 |         emit changed();
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 | 165 |         emit changeOccured();
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 | 166 |       }
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 | 167 | 
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 | 168 |       // molecule not selected but in scene?
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 | 169 |       if (!isSelected && (iter != MoleculesinSceneMap.end())){
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 | 170 |         // -> remove from scene
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 | 171 |         moleculeRemoved(*Runner);
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 | 172 |       }
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 | 173 | 
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 | 174 |     }
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 | 175 |   }
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| [c67518] | 176 | }
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 | 177 | 
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 | 178 | /** Removes a molecule from the scene.
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 | 179 |  *
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 | 180 |  * @param _molecule molecule to remove
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 | 181 |  */
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 | 182 | void GLWorldScene::moleculeRemoved(const molecule *_molecule)
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 | 183 | {
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| [3927ef] | 184 |   LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_molecule->getId())+".");
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| [c67518] | 185 |   MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_molecule->getId());
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| [3927ef] | 186 | 
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 | 187 |   // only remove if the molecule is in the scene
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 | 188 |   //  (= is selected)
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 | 189 |   if (iter != MoleculesinSceneMap.end()){
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 | 190 |     GLMoleculeObject_molecule *molObject = iter->second;
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 | 191 |     molObject->disconnect();
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 | 192 |     MoleculesinSceneMap.erase(iter);
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 | 193 |     delete molObject;
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 | 194 |     emit changed();
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 | 195 |     emit changeOccured();
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 | 196 |   }
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| [c67518] | 197 | }
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 | 198 | 
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| [37b2575] | 199 | /** Adds a bond to the scene.
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| [7188b1] | 200 |  *
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 | 201 |  * @param _bond bond to add
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| [2ad1ec] | 202 |  * @param side which side of the bond (left or right)
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| [7188b1] | 203 |  */
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| [2ad1ec] | 204 | void GLWorldScene::bondInserted(const bond *_bond, const enum GLMoleculeObject_bond::SideOfBond side)
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| [7188b1] | 205 | {
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| [57a770] | 206 |   LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
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| [2ad1ec] | 207 |   //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
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 | 208 | 
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 | 209 |   BondIds ids;
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 | 210 |   switch (side) {
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 | 211 |     case GLMoleculeObject_bond::left:
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 | 212 |       ids = std::make_pair(_bond->leftatom->getId(), _bond->rightatom->getId());
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 | 213 |       break;
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 | 214 |     case GLMoleculeObject_bond::right:
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 | 215 |       ids = std::make_pair(_bond->rightatom->getId(), _bond->leftatom->getId());
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 | 216 |       break;
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| [7188b1] | 217 |   }
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| [2ad1ec] | 218 | #ifndef NDEBUG
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 | 219 |   BondNodeMap::iterator iter = BondsinSceneMap.find(ids);
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 | 220 |   ASSERT(iter == BondsinSceneMap.end(),
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 | 221 |       "GLWorldScene::bondAdded() - same left-sided bond "+toString(*_bond)+" added again.");
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 | 222 | #endif
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 | 223 |   GLMoleculeObject_bond *bondObject =
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| [fbb1f1] | 224 |       new GLMoleculeObject_bond(this, _bond, side);
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| [2ad1ec] | 225 |   connect (
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 | 226 |       bondObject, SIGNAL(BondRemoved(const atomId_t, const atomId_t)),
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 | 227 |       this, SLOT(bondRemoved(const atomId_t, const atomId_t)));
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| [5a2a06] | 228 |   connect (bondObject, SIGNAL(changed()), this, SIGNAL(changed()));
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| [2ad1ec] | 229 |   BondsinSceneMap.insert( make_pair(ids, bondObject) );
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 | 230 | //    BondIdsinSceneMap.insert( Leftids );
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| [65487f] | 231 |   emit changeOccured();
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| [7188b1] | 232 | }
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| [907636] | 233 | 
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| [37b2575] | 234 | /** Removes a bond from the scene.
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| [7188b1] | 235 |  *
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 | 236 |  * @param _bond bond to remove
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 | 237 |  */
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| [37b2575] | 238 | void GLWorldScene::bondRemoved(const atomId_t leftnr, const atomId_t rightnr)
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| [907636] | 239 | {
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| [2ad1ec] | 240 |   LOG(3, "INFO: GLWorldScene::bondRemoved() - Removing bond between "+toString(leftnr)+" and "+toString(rightnr)+".");
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| [7188b1] | 241 |   {
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 | 242 |     // left bond
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| [37b2575] | 243 |     const BondIds Leftids( make_pair(leftnr, rightnr) );
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 | 244 |     BondNodeMap::iterator leftiter = BondsinSceneMap.find( Leftids );
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 | 245 |     ASSERT(leftiter != BondsinSceneMap.end(),
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 | 246 |         "GLWorldScene::bondRemoved() - bond "+toString(leftnr)+"-"
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 | 247 |         +toString(rightnr)+" not on display.");
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| [2ad1ec] | 248 |     //GLMoleculeObject_bond *bondObject = leftiter->second;
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| [37b2575] | 249 |     BondsinSceneMap.erase(leftiter);
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| [2ad1ec] | 250 |     //delete bondObject; // is done by signal from bond itself
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 | 251 |     //LOG(4, "INFO: Still present bonds " << BondsinSceneMap << ".");
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| [7188b1] | 252 |   }
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| [2ad1ec] | 253 | 
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| [65487f] | 254 |   emit changeOccured();
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| [7188b1] | 255 | }
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 | 256 | 
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 | 257 | void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
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 | 258 | {
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 | 259 |   // Initialize all of the mesh objects that we have as children.
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 | 260 |    foreach (QObject *obj, children()) {
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 | 261 |      GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
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 | 262 |        if (meshobj)
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 | 263 |          meshobj->initialize(view, painter);
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 | 264 |    }
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 | 265 | }
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 | 266 | 
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 | 267 | void GLWorldScene::draw(QGLPainter *painter) const
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 | 268 | {
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 | 269 |    // Draw all of the mesh objects that we have as children.
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 | 270 |    foreach (QObject *obj, children()) {
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 | 271 |      GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
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 | 272 |        if (meshobj)
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 | 273 |          meshobj->draw(painter);
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 | 274 |    }
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| [907636] | 275 | }
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| [06ebf5] | 276 | 
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| [7188b1] | 277 | void GLWorldScene::atomClicked(atomId_t no)
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| [907636] | 278 | {
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| [57a770] | 279 |    LOG(3, "INFO: GLWorldScene - atom " << no << " has been clicked.");
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| [89643d] | 280 |    const atom *Walker = World::getInstance().getAtom(AtomById(no));
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 | 281 |    if (!World::getInstance().isSelected(Walker))
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| [0e9ffe] | 282 |    SelectionAtomById(no);
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| [89643d] | 283 |    else
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 | 284 |      SelectionNotAtomById(no);
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| [7188b1] | 285 |    emit clicked(no);
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| [907636] | 286 | }
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| [029bb4] | 287 | 
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