| 1 | /*
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| 2 |  * Project: MoleCuilder
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| 3 |  * Description: creates and alters molecular systems
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| 4 |  * Copyright (C)  2010-2012 University of Bonn. All rights reserved.
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| 5 |  * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
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| 6 |  */
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| 7 | 
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| 8 | /*
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| 9 |  * 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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| 29 | #include "CodePatterns/Log.hpp"
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| 30 | #include "CodePatterns/Observer/Notification.hpp"
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| 31 | 
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| 32 | #include "Atom/atom.hpp"
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| 33 | #include "Bond/bond.hpp"
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| 34 | #include "Descriptors/AtomIdDescriptor.hpp"
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| 35 | #include "Element/element.hpp"
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| 36 | #include "LinearAlgebra/Vector.hpp"
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| 37 | #include "GLMoleculeObject_bond.hpp"
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| 38 | #include "World.hpp"
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| 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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| 43 |   builder << QGLSphere(0.5);
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| 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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| 49 | GLMoleculeObject_atom::GLMoleculeObject_atom(QObject *parent, const atom *atomref) :
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| 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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| 53 | {
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| 54 |   // sign on as observer (obtain non-const instance before)
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| 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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| 58 |   atomref->signOn(this, AtomObservable::BondsAdded);
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| 59 |   World::getInstance().signOn(this, World::SelectionChanged);
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| 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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| 64 |   LOG(2, "INFO: Created sphere for atom " << _atom->getId() << ".");
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| 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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| 69 | GLMoleculeObject_atom::~GLMoleculeObject_atom()
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| 70 | {
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| 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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| 74 |   _atom->signOff(this, AtomObservable::BondsAdded);
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| 75 |   World::getInstance().signOff(this, World::SelectionChanged);
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| 76 | }
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| 77 | 
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| 78 | void GLMoleculeObject_atom::update(Observable *publisher)
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| 79 | {
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| 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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| 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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| 87 | {
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| 88 |   const Vector Position = _atom->getPosition();
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| 89 |   LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new position is "+toString(Position)+".");
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| 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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| 97 |     elementno = _atom->getType()->getAtomicNumber();
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| 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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| 101 |   LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new element number is "+toString(elementno)+".");
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| 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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| 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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| 116 |   setScale( radius );
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| 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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| 122 |   LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new index is "+toString(atomno)+".");
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| 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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| 128 |   // set position
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| 129 |   resetPosition();
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| 130 | 
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| 131 |   // set element
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| 132 |   resetElement();
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| 133 | 
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| 134 |   // set the object's id
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| 135 |   resetIndex();
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| 136 | 
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| 137 |   // selected?
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| 138 |   setSelected(World::getInstance().isSelected(_atom));
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| 139 | }
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| 140 | 
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| 141 | void GLMoleculeObject_atom::subjectKilled(Observable *publisher)
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| 142 | {}
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| 143 | 
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| 144 | void GLMoleculeObject_atom::recieveNotification(Observable *publisher, Notification_ptr notification)
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| 145 | {
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| 146 |   if (publisher == dynamic_cast<const Observable*>(_atom)){
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| 147 |     // notofication from atom
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| 148 | #ifdef LOG_OBSERVER
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| 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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| 152 | #endif
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| 153 |     switch (notification->getChannelNo()) {
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| 154 |       case AtomObservable::ElementChanged:
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| 155 |         resetElement();
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| 156 |         emit changed();
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| 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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| 163 |         emit changed();
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| 164 |         break;
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| 165 |       case AtomObservable::BondsAdded:
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| 166 |       {
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| 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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| 191 |         break;
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| 192 |     }
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| 193 |   }
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| 194 | }
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| 195 | 
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| 196 | void GLMoleculeObject_atom::wasClicked()
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| 197 | {
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| 198 |   LOG(4, "INFO: GLMoleculeObject_atom: atom " << _atom->getId() << " has been clicked");
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| 199 |   emit clicked(_atom->getId());
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| 200 | }
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