| [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 |  * GLMoleculeObject_atom.cpp
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 | 10 |  *
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 | 11 |  *  Created on: Aug 17, 2011
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 | 12 |  *      Author: heber
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 | 13 |  */
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 | 14 | 
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 | 15 | // include config.h
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 | 16 | #ifdef HAVE_CONFIG_H
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 | 17 | #include <config.h>
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 | 18 | #endif
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 | 19 | 
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 | 20 | #include "GLMoleculeObject_atom.hpp"
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 | 21 | 
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 | 22 | #include <Qt3D/qglbuilder.h>
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 | 23 | #include <Qt3D/qglscenenode.h>
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 | 24 | #include <Qt3D/qglsphere.h>
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 | 25 | 
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 | 26 | #include "CodePatterns/MemDebug.hpp"
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 | 27 | 
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 | 28 | #include "CodePatterns/Assert.hpp"
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| [7188b1] | 29 | #include "CodePatterns/Log.hpp"
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| [02ce36] | 30 | #include "CodePatterns/Observer/Notification.hpp"
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| [907636] | 31 | 
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| [2ad1ec] | 32 | #include "Atom/atom.hpp"
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 | 33 | #include "Bond/bond.hpp"
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| [7188b1] | 34 | #include "Descriptors/AtomIdDescriptor.hpp"
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| [3bdb6d] | 35 | #include "Element/element.hpp"
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| [907636] | 36 | #include "LinearAlgebra/Vector.hpp"
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| [2ad1ec] | 37 | #include "GLMoleculeObject_bond.hpp"
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| [7188b1] | 38 | #include "World.hpp"
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| [907636] | 39 | 
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 | 40 | static QGLSceneNode * createAtom(QObject *parent)
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 | 41 | {
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 | 42 |   QGLBuilder builder;
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| [3927ef] | 43 |   builder << QGLSphere(2.0);
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| [907636] | 44 |   QGLSceneNode *n = builder.finalizedSceneNode();
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 | 45 |   n->setParent(parent);
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 | 46 |   return n;
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 | 47 | }
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 | 48 | 
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| [06ebf5] | 49 | GLMoleculeObject_atom::GLMoleculeObject_atom(QObject *parent, const atom *atomref) :
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| [2ad1ec] | 50 |   GLMoleculeObject(createAtom(parent), parent),
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 | 51 |   Observer(std::string("GLMoleculeObject_atom")+toString(atomref->getId())),
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 | 52 |   _atom(atomref)
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| [7188b1] | 53 | {
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 | 54 |   // sign on as observer (obtain non-const instance before)
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| [02ce36] | 55 |   atomref->signOn(this, AtomObservable::IndexChanged);
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 | 56 |   atomref->signOn(this, AtomObservable::PositionChanged);
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 | 57 |   atomref->signOn(this, AtomObservable::ElementChanged);
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| [2ad1ec] | 58 |   atomref->signOn(this, AtomObservable::BondsAdded);
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| [d53902] | 59 |   World::getInstance().signOn(this, World::SelectionChanged);
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| [7188b1] | 60 | 
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 | 61 |   // set the object's id
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 | 62 |   resetProperties();
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 | 63 | 
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| [57a770] | 64 |   LOG(2, "INFO: Created sphere for atom " << _atom->getId() << ".");
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| [7188b1] | 65 | 
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 | 66 |   connect( this, SIGNAL(clicked()), this, SLOT(wasClicked()));
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 | 67 | }
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 | 68 | 
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| [9c18e4] | 69 | GLMoleculeObject_atom::~GLMoleculeObject_atom()
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 | 70 | {
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| [02ce36] | 71 |   _atom->signOff(this, AtomObservable::IndexChanged);
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 | 72 |   _atom->signOff(this, AtomObservable::PositionChanged);
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 | 73 |   _atom->signOff(this, AtomObservable::ElementChanged);
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| [2ad1ec] | 74 |   _atom->signOff(this, AtomObservable::BondsAdded);
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| [d53902] | 75 |   World::getInstance().signOff(this, World::SelectionChanged);
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| [9c18e4] | 76 | }
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 | 77 | 
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| [7188b1] | 78 | void GLMoleculeObject_atom::update(Observable *publisher)
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 | 79 | {
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| [57a770] | 80 | #ifdef LOG_OBSERVER
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 | 81 |   observerLog().addMessage() << "++ Update of Observer " << observerLog().getName(this) << " from atom "+toString(_atom->getId())+".";
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 | 82 | #endif
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| [7188b1] | 83 |   resetProperties();
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 | 84 | }
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 | 85 | 
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 | 86 | void GLMoleculeObject_atom::resetPosition()
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| [907636] | 87 | {
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 | 88 |   const Vector Position = _atom->getPosition();
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| [57a770] | 89 |   LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new position is "+toString(Position)+".");
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| [7188b1] | 90 |   setPosition(QVector3D(Position[0], Position[1], Position[2]));
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 | 91 | }
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 | 92 | 
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 | 93 | void GLMoleculeObject_atom::resetElement()
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 | 94 | {
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 | 95 |   size_t elementno = 0;
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 | 96 |   if (_atom->getType() != NULL) {
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| [ed26ae] | 97 |     elementno = _atom->getType()->getAtomicNumber();
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| [7188b1] | 98 |   } else { // if no element yet, set to hydrogen
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 | 99 |     elementno = 1;
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 | 100 |   }
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| [57a770] | 101 |   LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new element number is "+toString(elementno)+".");
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| [907636] | 102 | 
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 | 103 |   // set materials
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 | 104 |   QGLMaterial *elementmaterial = getMaterial(elementno);
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 | 105 |   ASSERT(elementmaterial != NULL,
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 | 106 |       "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function is NULL.");
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 | 107 |   setMaterial(elementmaterial);
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 | 108 | 
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| [7188b1] | 109 |   // set scale
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 | 110 |   double radius = 0.;
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 | 111 |   if (_atom->getType() != NULL) {
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 | 112 |     radius = _atom->getType()->getVanDerWaalsRadius();
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 | 113 |   } else {
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 | 114 |     radius = 0.5;
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 | 115 |   }
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| [3927ef] | 116 |   setScale( radius / 4. );
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| [7188b1] | 117 | }
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 | 118 | 
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 | 119 | void GLMoleculeObject_atom::resetIndex()
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 | 120 | {
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 | 121 |   const size_t atomno = _atom->getId();
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| [57a770] | 122 |   LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new index is "+toString(atomno)+".");
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| [7188b1] | 123 |   setObjectId(atomno);
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 | 124 | }
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 | 125 | 
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 | 126 | void GLMoleculeObject_atom::resetProperties()
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 | 127 | {
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| [907636] | 128 |   // set position
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| [7188b1] | 129 |   resetPosition();
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| [907636] | 130 | 
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| [7188b1] | 131 |   // set element
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 | 132 |   resetElement();
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| [907636] | 133 | 
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 | 134 |   // set the object's id
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| [7188b1] | 135 |   resetIndex();
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| [d53902] | 136 | 
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 | 137 |   // selected?
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 | 138 |   setSelected(World::getInstance().isSelected(_atom));
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| [7188b1] | 139 | }
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| [907636] | 140 | 
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| [7188b1] | 141 | void GLMoleculeObject_atom::subjectKilled(Observable *publisher)
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 | 142 | {}
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| [06ebf5] | 143 | 
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| [7188b1] | 144 | void GLMoleculeObject_atom::recieveNotification(Observable *publisher, Notification_ptr notification)
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 | 145 | {
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| [d53902] | 146 |   if (publisher == dynamic_cast<const Observable*>(_atom)){
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 | 147 |     // notofication from atom
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| [57a770] | 148 | #ifdef LOG_OBSERVER
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| [d53902] | 149 |     observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
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 | 150 |           << " received notification from atom " << _atom->getId() << " for channel "
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 | 151 |           << notification->getChannelNo() << ".";
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| [57a770] | 152 | #endif
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| [d53902] | 153 |     switch (notification->getChannelNo()) {
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 | 154 |       case AtomObservable::ElementChanged:
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 | 155 |         resetElement();
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| [5a2a06] | 156 |         emit changed();
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| [d53902] | 157 |         break;
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 | 158 |       case AtomObservable::IndexChanged:
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 | 159 |         resetIndex();
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 | 160 |         break;
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 | 161 |       case AtomObservable::PositionChanged:
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 | 162 |         resetPosition();
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| [5a2a06] | 163 |         emit changed();
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| [d53902] | 164 |         break;
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 | 165 |       case AtomObservable::BondsAdded:
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| [2ad1ec] | 166 |       {
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| [d53902] | 167 |           ASSERT(!_atom->getListOfBonds().empty(),
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 | 168 |               "GLMoleculeObject_atom::recieveNotification() - received BondsAdded but ListOfBonds is empty.");
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 | 169 |           const bond * _bond = *(_atom->getListOfBonds().rbegin());
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 | 170 |           const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == _atom) ?
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 | 171 |               GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
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 | 172 |           emit BondsInserted(_bond, side);
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 | 173 |           break;
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 | 174 |         }
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 | 175 |       default:
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 | 176 |         //setProperties();
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 | 177 |         break;
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 | 178 |     }
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 | 179 |   }else{
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 | 180 |     // notification from world
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 | 181 | #ifdef LOG_OBSERVER
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 | 182 |     observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
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 | 183 |           << " received notification from world for channel "
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 | 184 |           << notification->getChannelNo() << ".";
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 | 185 | #endif
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 | 186 |     switch (notification->getChannelNo()) {
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 | 187 |       case World::SelectionChanged:
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 | 188 |         setSelected(World::getInstance().isSelected(_atom));
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 | 189 |         break;
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 | 190 |       default:
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| [2ad1ec] | 191 |         break;
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| [d53902] | 192 |     }
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| [7188b1] | 193 |   }
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| [06ebf5] | 194 | }
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 | 195 | 
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 | 196 | void GLMoleculeObject_atom::wasClicked()
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 | 197 | {
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| [57a770] | 198 |   LOG(4, "INFO: GLMoleculeObject_atom: atom " << _atom->getId() << " has been clicked");
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| [06ebf5] | 199 |   emit clicked(_atom->getId());
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| [907636] | 200 | }
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