| [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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| [5aaa43] | 5 |  * Copyright (C)  2013 Frederik Heber. All rights reserved.
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| [94d5ac6] | 6 |  * 
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 | 7 |  *
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 | 8 |  *   This file is part of MoleCuilder.
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 | 9 |  *
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 | 10 |  *    MoleCuilder is free software: you can redistribute it and/or modify
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 | 11 |  *    it under the terms of the GNU General Public License as published by
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 | 12 |  *    the Free Software Foundation, either version 2 of the License, or
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 | 13 |  *    (at your option) any later version.
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 | 14 |  *
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 | 15 |  *    MoleCuilder is distributed in the hope that it will be useful,
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 | 16 |  *    but WITHOUT ANY WARRANTY; without even the implied warranty of
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 | 17 |  *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
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 | 18 |  *    GNU General Public License for more details.
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 | 19 |  *
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 | 20 |  *    You should have received a copy of the GNU General Public License
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 | 21 |  *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>.
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| [907636] | 22 |  */
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 | 23 | 
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 | 24 | /*
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 | 25 |  * GLWorldScene.cpp
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 | 26 |  *
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 | 27 |  *  This is based on the Qt3D example "teaservice", specifically parts of teaservice.cpp.
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 | 28 |  *
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 | 29 |  *  Created on: Aug 17, 2011
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 | 30 |  *      Author: heber
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 | 31 |  */
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 | 32 | 
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 | 33 | // include config.h
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 | 34 | #ifdef HAVE_CONFIG_H
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 | 35 | #include <config.h>
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 | 36 | #endif
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 | 37 | 
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 | 38 | #include "GLWorldScene.hpp"
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| [d1196d] | 39 | #include <Qt3D/qglview.h>
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| [bca99d] | 40 | #include <Qt3D/qglbuilder.h>
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 | 41 | #include <Qt3D/qglscenenode.h>
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 | 42 | #include <Qt3D/qglsphere.h>
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 | 43 | #include <Qt3D/qglcylinder.h>
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| [907636] | 44 | 
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 | 45 | #include "GLMoleculeObject.hpp"
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| [7188b1] | 46 | #include "GLMoleculeObject_atom.hpp"
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 | 47 | #include "GLMoleculeObject_bond.hpp"
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| [c67518] | 48 | #include "GLMoleculeObject_molecule.hpp"
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| [f75491] | 49 | #include "GLMoleculeObject_shape.hpp"
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| [907636] | 50 | 
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 | 51 | #include "CodePatterns/MemDebug.hpp"
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 | 52 | 
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| [7188b1] | 53 | #include "CodePatterns/Log.hpp"
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 | 54 | 
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| [0e9ffe] | 55 | #include "Actions/SelectionAction/Atoms/AtomByIdAction.hpp"
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| [89643d] | 56 | #include "Actions/SelectionAction/Atoms/NotAtomByIdAction.hpp"
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| [6966b7] | 57 | #include "Actions/SelectionAction/Molecules/MoleculeByIdAction.hpp"
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 | 58 | #include "Actions/SelectionAction/Molecules/NotMoleculeByIdAction.hpp"
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| [6f0841] | 59 | #include "Atom/atom.hpp"
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| [7188b1] | 60 | #include "Bond/bond.hpp"
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| [89643d] | 61 | #include "Descriptors/AtomIdDescriptor.hpp"
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| [8c001a] | 62 | #include "Descriptors/MoleculeIdDescriptor.hpp"
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| [37b2575] | 63 | #include "Helpers/helpers.hpp"
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| [85c36d] | 64 | #include "Shapes/ShapeRegistry.hpp"
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| [907636] | 65 | #include "molecule.hpp"
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 | 66 | #include "World.hpp"
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 | 67 | 
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| [2ad1ec] | 68 | #include <iostream>
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 | 69 | 
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| [ce7fdc] | 70 | using namespace MoleCuilder;
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| [907636] | 71 | 
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 | 72 | GLWorldScene::GLWorldScene(QObject *parent)
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| [8c001a] | 73 |    : QObject(parent)
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| [907636] | 74 | {
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| [72a4c1] | 75 |   int sphereDetails[] = {5, 3, 2, 0};
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 | 76 |   int cylinderDetails[] = {16, 8, 6, 3};
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 | 77 |   for (int i=0;i<GLMoleculeObject::DETAILTYPES_MAX;i++){
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 | 78 |     QGLBuilder emptyBuilder;
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| [8c001a] | 79 |     GLMoleculeObject::meshEmpty[i] = emptyBuilder.finalizedSceneNode();
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| [72a4c1] | 80 |     QGLBuilder sphereBuilder;
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 | 81 |     sphereBuilder << QGLSphere(2.0, sphereDetails[i]);
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| [8c001a] | 82 |     GLMoleculeObject::meshSphere[i] = sphereBuilder.finalizedSceneNode();
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 | 83 |     GLMoleculeObject::meshSphere[i]->setOption(QGLSceneNode::CullBoundingBox, true);
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| [72a4c1] | 84 |     QGLBuilder cylinderBuilder;
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 | 85 |     cylinderBuilder << QGLCylinder(.25,.25,1.0,cylinderDetails[i]);
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| [8c001a] | 86 |     GLMoleculeObject::meshCylinder[i] = cylinderBuilder.finalizedSceneNode();
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 | 87 |     GLMoleculeObject::meshCylinder[i]->setOption(QGLSceneNode::CullBoundingBox, true);
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| [72a4c1] | 88 |   }
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| [0a6ff9] | 89 | 
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| [ce4126] | 90 |   connect(this, SIGNAL(updated()), this, SLOT(update()));
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 | 91 | 
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| [8c001a] | 92 | 
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| [6966b7] | 93 |   setSelectionMode(SelectAtom);
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 | 94 | 
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| [907636] | 95 |   init();
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 | 96 | }
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 | 97 | 
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 | 98 | GLWorldScene::~GLWorldScene()
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| [7188b1] | 99 | {
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 | 100 |   // remove all elements
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 | 101 |   GLMoleculeObject::cleanMaterialMap();
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 | 102 | }
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| [907636] | 103 | 
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 | 104 | /** Initialise the WorldScene with molecules and atoms from World.
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 | 105 |  *
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 | 106 |  */
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 | 107 | void GLWorldScene::init()
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 | 108 | {
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| [1259df] | 109 |   const std::vector<const molecule *> &molecules =
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 | 110 |       const_cast<const World &>(World::getInstance()).getAllMolecules();
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| [8c001a] | 111 | 
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| [1259df] | 112 |   for (std::vector<const molecule*>::const_iterator moliter = molecules.begin();
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| [8c001a] | 113 |       moliter != molecules.end();
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 | 114 |       moliter++) {
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 | 115 |     // create molecule objects in scene
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| [ef3013] | 116 |     moleculeInserted((*moliter)->getId());
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| [ce4126] | 117 |   }
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 | 118 | }
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| [c67518] | 119 | 
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| [ce4126] | 120 | /** Update the WorldScene with molecules and atoms from World.
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 | 121 |  *
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 | 122 |  * This function should be called after e.g. WorldTime::TimeChanged was
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 | 123 |  * received or after another molecule has been loaded.
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 | 124 |  *
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 | 125 |  */
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 | 126 | void GLWorldScene::update()
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 | 127 | {
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| [1259df] | 128 |   const std::vector<const molecule *> &molecules =
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 | 129 |       const_cast<const World &>(World::getInstance()).getAllMolecules();
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| [8c001a] | 130 | 
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| [1259df] | 131 |   for (std::vector<const molecule*>::const_iterator moliter = molecules.begin();
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| [8c001a] | 132 |       moliter != molecules.end();
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 | 133 |       moliter++) {
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 | 134 |     // check whether molecule already exists
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 | 135 |     const moleculeId_t molid = (*moliter)->getId();
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 | 136 |     const bool mol_present = MoleculesinSceneMap.count(molid);
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 | 137 |     if (!mol_present)
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| [ef3013] | 138 |       moleculeInserted((*moliter)->getId());
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| [907636] | 139 |   }
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 | 140 | }
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 | 141 | 
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| [8c001a] | 142 | void GLWorldScene::atomClicked(atomId_t no)
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 | 143 | {
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 | 144 |    LOG(3, "INFO: GLMoleculeObject_molecule - atom " << no << " has been clicked.");
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| [f01769] | 145 |    const atom * const Walker = const_cast<const World &>(World::getInstance()).
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 | 146 |        getAtom(AtomById(no));
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| [8c001a] | 147 |    if (selectionMode == SelectAtom){
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 | 148 |      if (!World::getInstance().isSelected(Walker))
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 | 149 |        SelectionAtomById(std::vector<atomId_t>(1,no));
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 | 150 |      else
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 | 151 |        SelectionNotAtomById(std::vector<atomId_t>(1,no));
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 | 152 |    }else if (selectionMode == SelectMolecule){
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 | 153 |      const molecule *mol = Walker->getMolecule();
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 | 154 |      ASSERT(mol, "Atom without molecule has been clicked.");
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| [d7cad1] | 155 |      molids_t ids(1, mol->getId());
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| [8c001a] | 156 |      if (!World::getInstance().isSelected(mol))
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| [d7cad1] | 157 |        SelectionMoleculeById(ids);
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| [8c001a] | 158 |      else
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| [d7cad1] | 159 |        SelectionNotMoleculeById(ids);
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| [8c001a] | 160 |    }
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 | 161 |    emit clicked(no);
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 | 162 | }
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 | 163 | 
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| [9a7ef9] | 164 | void GLWorldScene::moleculeClicked(moleculeId_t no)
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 | 165 | {
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 | 166 |    LOG(3, "INFO: GLMoleculeObject_molecule - mol " << no << " has been clicked.");
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| [63fb7a] | 167 |    const molecule * const mol= const_cast<const World &>(World::getInstance()).
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 | 168 |        getMolecule(MoleculeById(no));
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| [9a7ef9] | 169 |    ASSERT(mol, "Atom without molecule has been clicked.");
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| [d7cad1] | 170 |    molids_t ids(1, mol->getId());
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| [9a7ef9] | 171 |    if (!World::getInstance().isSelected(mol))
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| [d7cad1] | 172 |      SelectionMoleculeById(ids);
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| [9a7ef9] | 173 |    else
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| [d7cad1] | 174 |      SelectionNotMoleculeById(ids);
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| [9a7ef9] | 175 |    emit clicked(no);
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 | 176 | }
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 | 177 | 
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| [8c001a] | 178 | 
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| [7188b1] | 179 | /** Adds an atom to the scene.
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 | 180 |  *
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 | 181 |  * @param _atom atom to add
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 | 182 |  */
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| [8c001a] | 183 | void GLWorldScene::atomInserted(const atomId_t _id)
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| [907636] | 184 | {
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| [beadd0] | 185 |   LOG(3, "INFO: GLWorldScene: Received signal atomInserted for atom "+toString(_id)+".");
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| [8c001a] | 186 |   // find associated molecule
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| [f01769] | 187 |   const atom * const _atom = const_cast<const World &>(World::getInstance()).
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 | 188 |       getAtom(AtomById(_id));
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| [466934] | 189 |   if (_atom != NULL) {
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 | 190 |     const moleculeId_t molid = _atom->getMolecule()->getId();
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 | 191 |     MoleculeNodeMap::const_iterator moliter = MoleculesinSceneMap.find(molid );
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 | 192 |     ASSERT(moliter != MoleculesinSceneMap.end(),
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 | 193 |         "GLWorldScene::atomAdded() - molecule with id of "+toString(molid)
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 | 194 |         +" atom with id "+toString(_id)+" is unknown.");
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 | 195 |     GLMoleculeObject_molecule *molObject = moliter->second;
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 | 196 | 
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 | 197 |     // add atom to internal list
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| [8c001a] | 198 | #ifndef NDEBUG
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| [466934] | 199 |     AtomMoleculeMap::const_iterator atomiter = AtomsinSceneMap.find(_id);
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 | 200 |       ASSERT(atomiter == AtomsinSceneMap.end(),
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 | 201 |           "GLWorldScene::atomRemoved() - atom "+toString(_id)+" already known.");
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| [8c001a] | 202 | #endif
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| [466934] | 203 |     AtomsinSceneMap.insert( std::make_pair( _id, molObject ));
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| [8c001a] | 204 | 
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| [466934] | 205 |     // inform its GlMoleculeObject_molecule.
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 | 206 |     molObject->atomInserted(_id);
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| [8c001a] | 207 | 
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| [466934] | 208 |     // emit change
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 | 209 |     emit changeOccured();
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 | 210 |   } else {
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 | 211 |     ELOG(1, "GLWorldScene::atomInserted() - added NULL molobject to AtomsinSceneMap for id " << _id);
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 | 212 |     GLMoleculeObject_molecule *molObject = NULL;
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 | 213 |     AtomsinSceneMap.insert( std::make_pair( _id, molObject ));
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 | 214 |   }
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| [7188b1] | 215 | }
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 | 216 | 
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 | 217 | /** Removes an atom from the scene.
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 | 218 |  *
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| [c48ac12] | 219 |  * We just the id as the atom might have already been destroyed.
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 | 220 |  *
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 | 221 |  * @param _id id of atom to remove
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| [7188b1] | 222 |  */
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| [8c001a] | 223 | void GLWorldScene::atomRemoved(const atomId_t _id)
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| [7188b1] | 224 | {
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| [c48ac12] | 225 |   LOG(3, "INFO: GLWorldScene: Received signal atomRemoved for atom "+toString(_id)+".");
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| [8c001a] | 226 |   // find associated molecule
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 | 227 |   AtomMoleculeMap::iterator iter = AtomsinSceneMap.find(_id);
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| [37b2575] | 228 |   ASSERT(iter != AtomsinSceneMap.end(),
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| [c48ac12] | 229 |       "GLWorldScene::atomRemoved() - atom "+toString(_id)+" not on display.");
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| [8c001a] | 230 |   GLMoleculeObject_molecule *molObject = iter->second;
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 | 231 | 
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 | 232 |   // remove from internal list
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| [37b2575] | 233 |   AtomsinSceneMap.erase(iter);
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| [8c001a] | 234 | 
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 | 235 |   // inform its GlMoleculeObject_molecule.
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 | 236 |   molObject->atomRemoved(_id);
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 | 237 | 
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 | 238 |   // emit change
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| [65487f] | 239 |   emit changeOccured();
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| [907636] | 240 | }
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 | 241 | 
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| [3927ef] | 242 | /** ....
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| [c67518] | 243 |  *
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 | 244 |  */
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| [3927ef] | 245 | void GLWorldScene::worldSelectionChanged()
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| [c67518] | 246 | {
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| [3927ef] | 247 |   LOG(3, "INFO: GLWorldScene: Received signal selectionChanged.");
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 | 248 | 
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| [1259df] | 249 |   const std::vector<const molecule*> &molecules =
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 | 250 |       const_cast<const World &>(World::getInstance()).getAllMolecules();
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| [3927ef] | 251 | 
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 | 252 |   if (molecules.size() > 0) {
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| [1259df] | 253 |     for (std::vector<const molecule*>::const_iterator Runner = molecules.begin();
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| [3927ef] | 254 |         Runner != molecules.end();
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 | 255 |         Runner++) {
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 | 256 | 
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 | 257 |       // molecule selected but not in scene?
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| [1259df] | 258 |       const bool isSelected =
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 | 259 |           const_cast<const World &>(World::getInstance()).isSelected(*Runner);
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| [8c001a] | 260 |       if (isSelected){
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 | 261 |         MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find((*Runner)->getId());
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 | 262 |         ASSERT( iter != MoleculesinSceneMap.end(),
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 | 263 |             "GLWorldScene::worldSelectionChanged() - selected molecule is unknown.");
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 | 264 |         GLMoleculeObject_molecule *molObject = iter->second;
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 | 265 |         // inform molecule object
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 | 266 |         molObject->selected(isSelected);
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| [3927ef] | 267 |       }
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 | 268 |     }
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 | 269 |   }
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| [c67518] | 270 | }
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 | 271 | 
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| [8c001a] | 272 | /** Inserts a molecule into the scene.
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| [c67518] | 273 |  *
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| [8c001a] | 274 |  * @param _mol molecule to insert
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| [c67518] | 275 |  */
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| [ef3013] | 276 | void GLWorldScene::moleculeInserted(const moleculeId_t _id)
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| [c67518] | 277 | {
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| [ef3013] | 278 |   LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_id)+".");
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 | 279 |   MoleculeNodeMap::const_iterator iter = MoleculesinSceneMap.find(_id);
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| [8c001a] | 280 |   ASSERT( iter == MoleculesinSceneMap.end(),
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| [ef3013] | 281 |       "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" already present.");
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| [8c001a] | 282 | 
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 | 283 |   // add new object
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| [704d59] | 284 |   GLMoleculeObject_molecule *molObject = new GLMoleculeObject_molecule(GLMoleculeObject::meshEmpty, this, _id);
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 | 285 |   ASSERT( molObject != NULL,
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 | 286 |       "GLWorldScene::moleculeInserted - could not create molecule object for "+toString(_id));
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 | 287 |   MoleculesinSceneMap.insert( make_pair(_id, molObject) );
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 | 288 |   connect (molObject, SIGNAL(changed()), this, SIGNAL(changed()));
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 | 289 |   connect (molObject, SIGNAL(changeOccured()), this, SIGNAL(changeOccured()));
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 | 290 |   connect (molObject, SIGNAL(atomClicked(atomId_t)), this, SLOT(atomClicked(atomId_t)));
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 | 291 |   connect (molObject, SIGNAL(moleculeClicked(moleculeId_t)), this, SLOT(moleculeClicked(moleculeId_t)));
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 | 292 |   connect (molObject, SIGNAL(changeAtomId(GLMoleculeObject_atom *, int, int)), this, SLOT(changeAtomId(GLMoleculeObject_atom *, int, int)));
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 | 293 |   connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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 | 294 |   connect (molObject, SIGNAL(selectionChanged()), this, SIGNAL(changed()));
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 | 295 |   connect (molObject, SIGNAL(hoverChanged(const atomId_t)), this, SIGNAL(hoverChanged(const atomId_t)));
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 | 296 |   connect (molObject, SIGNAL(hoverChanged(const moleculeId_t, int)), this, SIGNAL(hoverChanged(const moleculeId_t, int)));
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 | 297 |   emit changed();
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 | 298 |   emit changeOccured();
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| [c67518] | 299 | }
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 | 300 | 
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| [8c001a] | 301 | /** Removes a molecule from the scene.
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| [7188b1] | 302 |  *
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| [8c001a] | 303 |  * @param _id id of molecule to remove
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| [7188b1] | 304 |  */
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| [8c001a] | 305 | void GLWorldScene::moleculeRemoved(const moleculeId_t _id)
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| [7188b1] | 306 | {
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| [8c001a] | 307 |   LOG(3, "INFO: GLWorldScene: Received signal moleculeRemoved for molecule "+toString(_id)+".");
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 | 308 |   MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_id);
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 | 309 |   ASSERT( iter != MoleculesinSceneMap.end(),
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 | 310 |       "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" is unknown.");
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 | 311 | 
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 | 312 |   GLMoleculeObject_molecule *molObject = iter->second;
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 | 313 |   molObject->disconnect();
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 | 314 |   MoleculesinSceneMap.erase(iter);
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 | 315 |   delete molObject;
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 | 316 |   emit changed();
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 | 317 |   emit changeOccured();
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| [ce4126] | 318 | }
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 | 319 | 
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| [739ee9] | 320 | void GLWorldScene::moleculesVisibilityChanged(const moleculeId_t _id, bool _visible)
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 | 321 | {
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 | 322 |   MoleculeNodeMap::iterator iter = MoleculesinSceneMap.find(_id);
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 | 323 |   ASSERT( iter != MoleculesinSceneMap.end(),
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 | 324 |       "GLWorldScene::moleculeInserted() - molecule's id "+toString(_id)+" is unknown.");
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 | 325 | 
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 | 326 |   GLMoleculeObject_molecule *molObject = iter->second;
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 | 327 |   molObject->setVisible(_visible);
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 | 328 | 
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 | 329 |   emit changed();
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 | 330 |   emit changeOccured();
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 | 331 | }
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 | 332 | 
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| [ce4126] | 333 | /** Adds a bond to the scene.
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 | 334 |  *
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 | 335 |  * @param _bond bond to add
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 | 336 |  * @param side which side of the bond (left or right)
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 | 337 |  */
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 | 338 | void GLWorldScene::bondInserted(const bond::ptr _bond, const enum GLMoleculeObject_bond::SideOfBond _side)
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 | 339 | {
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 | 340 |   LOG(3, "INFO: GLWorldScene::bondInserted() - Adding bond "+toString(*_bond)+".");
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 | 341 |   //LOG(4, "INFO: Currently present bonds " << BondsinSceneMap << ".");
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| [8c001a] | 342 |   // bond partners must both belong to same atom
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 | 343 |   ASSERT( _bond->leftatom->getMolecule() == _bond->rightatom->getMolecule(),
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 | 344 |       "GLWorldScene::bondInserted() - bond partners do not belong to same molecule.");
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 | 345 | 
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 | 346 |   // find associated molecule object
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 | 347 |   const moleculeId_t molid = _bond->leftatom->getMolecule()->getId();
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 | 348 |   MoleculeNodeMap::const_iterator moliter = MoleculesinSceneMap.find(molid );
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 | 349 |   ASSERT(moliter != MoleculesinSceneMap.end(),
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 | 350 |       "GLWorldScene::bondInserted() - molecule with id of "+toString(molid)
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 | 351 |       +" atom with id "+toString(_bond->leftatom->getId())+" is unknown.");
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 | 352 |   GLMoleculeObject_molecule *molObject = moliter->second;
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 | 353 | 
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 | 354 |   // add to internal list
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 | 355 |   const GLMoleculeObject_molecule::BondIds ids =
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 | 356 |       GLMoleculeObject_molecule::getBondIds(_bond, _side);
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 | 357 |   BondMoleculeMap::const_iterator iter = BondsinSceneMap.find(ids);
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 | 358 |   ASSERT(iter == BondsinSceneMap.end(),
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 | 359 |       "GLWorldScene::bondInserted() - bond with ids "+toString(ids.first)
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 | 360 |       +","+toString(ids.second)+" already present.");
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 | 361 |   BondsinSceneMap.insert( std::make_pair( ids, molObject ));
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 | 362 | 
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 | 363 |   // inform its GlMoleculeObject_molecule.
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 | 364 |   molObject->bondInserted(_bond, _side);
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 | 365 | 
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 | 366 |   // emit change
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| [65487f] | 367 |   emit changeOccured();
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| [7188b1] | 368 | }
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| [907636] | 369 | 
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| [37b2575] | 370 | /** Removes a bond from the scene.
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| [7188b1] | 371 |  *
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 | 372 |  * @param _bond bond to remove
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 | 373 |  */
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| [37b2575] | 374 | void GLWorldScene::bondRemoved(const atomId_t leftnr, const atomId_t rightnr)
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| [907636] | 375 | {
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| [2ad1ec] | 376 |   LOG(3, "INFO: GLWorldScene::bondRemoved() - Removing bond between "+toString(leftnr)+" and "+toString(rightnr)+".");
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| [7188b1] | 377 |   {
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 | 378 |     // left bond
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| [8c001a] | 379 |     const GLMoleculeObject_molecule::BondIds Leftids( make_pair(leftnr, rightnr) );
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 | 380 |     BondMoleculeMap::iterator leftiter = BondsinSceneMap.find( Leftids );
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| [37b2575] | 381 |     ASSERT(leftiter != BondsinSceneMap.end(),
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 | 382 |         "GLWorldScene::bondRemoved() - bond "+toString(leftnr)+"-"
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 | 383 |         +toString(rightnr)+" not on display.");
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| [8c001a] | 384 |     GLMoleculeObject_molecule *molObject = leftiter->second;
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 | 385 | 
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 | 386 |     // remove from internal list
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| [37b2575] | 387 |     BondsinSceneMap.erase(leftiter);
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| [8c001a] | 388 | 
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 | 389 |     // inform its GlMoleculeObject_molecule.
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 | 390 |     molObject->bondRemoved( leftnr, rightnr );
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| [7188b1] | 391 |   }
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| [2ad1ec] | 392 | 
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| [8c001a] | 393 |   // emit change
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| [65487f] | 394 |   emit changeOccured();
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| [7188b1] | 395 | }
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 | 396 | 
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| [f75491] | 397 | /** Adds a shape to the scene.
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 | 398 |  *
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| [4d6662] | 399 |  * uses ShapeRegistry::lastChanged()
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 | 400 |  *
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| [f75491] | 401 |  */
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| [4d6662] | 402 | void GLWorldScene::addShape()
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| [f75491] | 403 | {
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| [4d6662] | 404 |   Shape &shape = *ShapeRegistry::getInstance().lastChanged();
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| [f75491] | 405 |   GLMoleculeObject_shape *shapeObject = new GLMoleculeObject_shape(shape, this);
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| [284551] | 406 |   ShapeNodeMap::iterator iter = ShapesinSceneMap.find(shape.getName());
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 | 407 |   ASSERT(iter == ShapesinSceneMap.end(),
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 | 408 |       "GLWorldScene::addShape() - same shape "+shape.getName()+" added again.");
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 | 409 |   ShapesinSceneMap.insert( make_pair(shape.getName(), shapeObject) );
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 | 410 | }
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 | 411 | 
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| [4d6662] | 412 | void GLWorldScene::removeShape()
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| [85c36d] | 413 | {
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| [4d6662] | 414 |   Shape &shape = *ShapeRegistry::getInstance().lastChanged();
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| [85c36d] | 415 |   ShapeNodeMap::iterator iter = ShapesinSceneMap.find(shape.getName());
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| [ba6b5c] | 416 |   ASSERT(iter != ShapesinSceneMap.end(),
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| [85c36d] | 417 |       "GLWorldScene::removeShape() - shape "+shape.getName()+" not in scene.");
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| [148dde0] | 418 |   ShapesinSceneMap.erase(iter);
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| [85c36d] | 419 |   delete(iter->second);
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 | 420 | }
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 | 421 | 
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 | 422 | void GLWorldScene::updateSelectedShapes()
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| [284551] | 423 | {
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 | 424 |   foreach (QObject *obj, children()) {
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 | 425 |     GLMoleculeObject_shape *shapeobj = qobject_cast<GLMoleculeObject_shape *>(obj);
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| [85c36d] | 426 |       if (shapeobj){
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 | 427 |         shapeobj->enable(ShapeRegistry::getInstance().isSelected(shapeobj->getShape()));
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 | 428 |       }
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| [284551] | 429 |   }
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| [f75491] | 430 | }
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 | 431 | 
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| [7188b1] | 432 | void GLWorldScene::initialize(QGLView *view, QGLPainter *painter) const
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 | 433 | {
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 | 434 |   // Initialize all of the mesh objects that we have as children.
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 | 435 |    foreach (QObject *obj, children()) {
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 | 436 |      GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
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 | 437 |        if (meshobj)
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 | 438 |          meshobj->initialize(view, painter);
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 | 439 |    }
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 | 440 | }
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 | 441 | 
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| [72a4c1] | 442 | void GLWorldScene::draw(QGLPainter *painter, const QVector4D &cameraPlane) const
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| [7188b1] | 443 | {
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 | 444 |    // Draw all of the mesh objects that we have as children.
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 | 445 |    foreach (QObject *obj, children()) {
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 | 446 |      GLMoleculeObject *meshobj = qobject_cast<GLMoleculeObject *>(obj);
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 | 447 |        if (meshobj)
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| [72a4c1] | 448 |          meshobj->draw(painter, cameraPlane);
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| [7188b1] | 449 |    }
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| [907636] | 450 | }
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| [06ebf5] | 451 | 
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| [6966b7] | 452 | void GLWorldScene::setSelectionMode(SelectionModeType mode)
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 | 453 | {
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 | 454 |   selectionMode = mode;
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 | 455 |   // TODO send update to toolbar
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 | 456 | }
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 | 457 | 
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 | 458 | void GLWorldScene::setSelectionModeAtom()
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 | 459 | {
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 | 460 |   setSelectionMode(SelectAtom);
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 | 461 | }
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 | 462 | 
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 | 463 | void GLWorldScene::setSelectionModeMolecule()
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 | 464 | {
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 | 465 |   setSelectionMode(SelectMolecule);
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 | 466 | }
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 | 467 | 
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| [30cd0d] | 468 | void GLWorldScene::changeAtomId(GLMoleculeObject_atom *ob, int oldId, int newId)
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 | 469 | {
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 | 470 |   LOG(3, "INFO: GLWorldScene - change atom id " << oldId << " to " << newId << ".");
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 | 471 |   // Remove from map.
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| [8c001a] | 472 |   AtomMoleculeMap::iterator iter = AtomsinSceneMap.find(oldId);
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| [30cd0d] | 473 |   ASSERT(iter != AtomsinSceneMap.end(),
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| [8c001a] | 474 |         "GLWorldScene::changeAtomId() - atom with old id "+toString(oldId)+" not on display.");
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 | 475 |   GLMoleculeObject_molecule *molObject = iter->second;
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 | 476 | 
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 | 477 |   // erase by signalling removal
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 | 478 |   molObject->atomRemoved(oldId);
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 | 479 | 
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 | 480 |   // remove from internal list
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| [30cd0d] | 481 |   AtomsinSceneMap.erase(iter);
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 | 482 | 
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 | 483 |   // Reinsert with new id.
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| [8c001a] | 484 |   {
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 | 485 |     AtomMoleculeMap::iterator iter = AtomsinSceneMap.find(newId);
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 | 486 |     ASSERT(iter == AtomsinSceneMap.end(),
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 | 487 |           "GLWorldScene::changeAtomId() - atom with new id "+toString(newId)+" already known.");
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 | 488 |   }
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 | 489 |   AtomsinSceneMap.insert( make_pair(newId, molObject) );
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 | 490 | 
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 | 491 |   // inform molecule object
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| [2520cc] | 492 |   molObject->atomInserted(newId);
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| [30cd0d] | 493 | }
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