[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/qglscenenode.h>
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| 23 |
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| 24 | #include "CodePatterns/MemDebug.hpp"
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| 25 |
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| 26 | #include "CodePatterns/Assert.hpp"
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[7188b1] | 27 | #include "CodePatterns/Log.hpp"
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[02ce36] | 28 | #include "CodePatterns/Observer/Notification.hpp"
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[907636] | 29 |
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[2ad1ec] | 30 | #include "Atom/atom.hpp"
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| 31 | #include "Bond/bond.hpp"
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[7188b1] | 32 | #include "Descriptors/AtomIdDescriptor.hpp"
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[3bdb6d] | 33 | #include "Element/element.hpp"
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[907636] | 34 | #include "LinearAlgebra/Vector.hpp"
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[2ad1ec] | 35 | #include "GLMoleculeObject_bond.hpp"
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[7188b1] | 36 | #include "World.hpp"
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[907636] | 37 |
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[bca99d] | 38 | GLMoleculeObject_atom::GLMoleculeObject_atom(QGLSceneNode *mesh, QObject *parent, const atom *atomref) :
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| 39 | GLMoleculeObject(mesh, parent),
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[2ad1ec] | 40 | Observer(std::string("GLMoleculeObject_atom")+toString(atomref->getId())),
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| 41 | _atom(atomref)
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[7188b1] | 42 | {
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| 43 | // sign on as observer (obtain non-const instance before)
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[02ce36] | 44 | atomref->signOn(this, AtomObservable::IndexChanged);
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| 45 | atomref->signOn(this, AtomObservable::PositionChanged);
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| 46 | atomref->signOn(this, AtomObservable::ElementChanged);
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[2ad1ec] | 47 | atomref->signOn(this, AtomObservable::BondsAdded);
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[d53902] | 48 | World::getInstance().signOn(this, World::SelectionChanged);
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[7188b1] | 49 |
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| 50 | // set the object's id
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| 51 | resetProperties();
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| 52 |
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[57a770] | 53 | LOG(2, "INFO: Created sphere for atom " << _atom->getId() << ".");
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[7188b1] | 54 |
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| 55 | connect( this, SIGNAL(clicked()), this, SLOT(wasClicked()));
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| 56 | }
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| 57 |
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[9c18e4] | 58 | GLMoleculeObject_atom::~GLMoleculeObject_atom()
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| 59 | {
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[c736fe] | 60 | if (_atom){
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| 61 | _atom->signOff(this, AtomObservable::IndexChanged);
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| 62 | _atom->signOff(this, AtomObservable::PositionChanged);
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| 63 | _atom->signOff(this, AtomObservable::ElementChanged);
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| 64 | _atom->signOff(this, AtomObservable::BondsAdded);
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| 65 | }
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[d53902] | 66 | World::getInstance().signOff(this, World::SelectionChanged);
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[9c18e4] | 67 | }
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| 68 |
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[7188b1] | 69 | void GLMoleculeObject_atom::update(Observable *publisher)
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| 70 | {
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[57a770] | 71 | #ifdef LOG_OBSERVER
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| 72 | observerLog().addMessage() << "++ Update of Observer " << observerLog().getName(this) << " from atom "+toString(_atom->getId())+".";
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| 73 | #endif
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[7188b1] | 74 | resetProperties();
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| 75 | }
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| 76 |
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| 77 | void GLMoleculeObject_atom::resetPosition()
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[907636] | 78 | {
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| 79 | const Vector Position = _atom->getPosition();
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[57a770] | 80 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new position is "+toString(Position)+".");
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[7188b1] | 81 | setPosition(QVector3D(Position[0], Position[1], Position[2]));
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| 82 | }
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| 83 |
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| 84 | void GLMoleculeObject_atom::resetElement()
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| 85 | {
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| 86 | size_t elementno = 0;
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| 87 | if (_atom->getType() != NULL) {
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[ed26ae] | 88 | elementno = _atom->getType()->getAtomicNumber();
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[7188b1] | 89 | } else { // if no element yet, set to hydrogen
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| 90 | elementno = 1;
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| 91 | }
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[57a770] | 92 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new element number is "+toString(elementno)+".");
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[907636] | 93 |
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| 94 | // set materials
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| 95 | QGLMaterial *elementmaterial = getMaterial(elementno);
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| 96 | ASSERT(elementmaterial != NULL,
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| 97 | "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function is NULL.");
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| 98 | setMaterial(elementmaterial);
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| 99 |
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[7188b1] | 100 | // set scale
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| 101 | double radius = 0.;
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| 102 | if (_atom->getType() != NULL) {
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| 103 | radius = _atom->getType()->getVanDerWaalsRadius();
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| 104 | } else {
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| 105 | radius = 0.5;
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| 106 | }
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[3927ef] | 107 | setScale( radius / 4. );
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[7188b1] | 108 | }
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| 109 |
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| 110 | void GLMoleculeObject_atom::resetIndex()
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| 111 | {
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[30cd0d] | 112 | int oldId = objectId();
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[7188b1] | 113 | const size_t atomno = _atom->getId();
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[57a770] | 114 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new index is "+toString(atomno)+".");
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[7188b1] | 115 | setObjectId(atomno);
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[30cd0d] | 116 |
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| 117 | emit indexChanged(this, oldId, atomno);
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[7188b1] | 118 | }
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| 119 |
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| 120 | void GLMoleculeObject_atom::resetProperties()
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| 121 | {
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[907636] | 122 | // set position
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[7188b1] | 123 | resetPosition();
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[907636] | 124 |
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[7188b1] | 125 | // set element
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| 126 | resetElement();
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[907636] | 127 |
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| 128 | // set the object's id
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[7188b1] | 129 | resetIndex();
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[d53902] | 130 |
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| 131 | // selected?
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| 132 | setSelected(World::getInstance().isSelected(_atom));
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[7188b1] | 133 | }
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[907636] | 134 |
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[7188b1] | 135 | void GLMoleculeObject_atom::subjectKilled(Observable *publisher)
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[c736fe] | 136 | {
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| 137 | _atom = NULL;
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| 138 | }
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[06ebf5] | 139 |
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[7188b1] | 140 | void GLMoleculeObject_atom::recieveNotification(Observable *publisher, Notification_ptr notification)
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| 141 | {
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[d53902] | 142 | if (publisher == dynamic_cast<const Observable*>(_atom)){
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| 143 | // notofication from atom
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[57a770] | 144 | #ifdef LOG_OBSERVER
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[d53902] | 145 | observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
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| 146 | << " received notification from atom " << _atom->getId() << " for channel "
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| 147 | << notification->getChannelNo() << ".";
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[57a770] | 148 | #endif
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[d53902] | 149 | switch (notification->getChannelNo()) {
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| 150 | case AtomObservable::ElementChanged:
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| 151 | resetElement();
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[5a2a06] | 152 | emit changed();
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[d53902] | 153 | break;
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| 154 | case AtomObservable::IndexChanged:
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| 155 | resetIndex();
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| 156 | break;
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| 157 | case AtomObservable::PositionChanged:
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| 158 | resetPosition();
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[5a2a06] | 159 | emit changed();
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[d53902] | 160 | break;
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| 161 | case AtomObservable::BondsAdded:
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[2ad1ec] | 162 | {
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[d53902] | 163 | ASSERT(!_atom->getListOfBonds().empty(),
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| 164 | "GLMoleculeObject_atom::recieveNotification() - received BondsAdded but ListOfBonds is empty.");
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| 165 | const bond * _bond = *(_atom->getListOfBonds().rbegin());
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| 166 | const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == _atom) ?
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| 167 | GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
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| 168 | emit BondsInserted(_bond, side);
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| 169 | break;
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| 170 | }
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| 171 | default:
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| 172 | //setProperties();
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| 173 | break;
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| 174 | }
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| 175 | }else{
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| 176 | // notification from world
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| 177 | #ifdef LOG_OBSERVER
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| 178 | observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
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| 179 | << " received notification from world for channel "
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| 180 | << notification->getChannelNo() << ".";
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| 181 | #endif
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| 182 | switch (notification->getChannelNo()) {
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| 183 | case World::SelectionChanged:
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| 184 | setSelected(World::getInstance().isSelected(_atom));
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| 185 | break;
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| 186 | default:
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[2ad1ec] | 187 | break;
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[d53902] | 188 | }
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[7188b1] | 189 | }
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[06ebf5] | 190 | }
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| 191 |
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| 192 | void GLMoleculeObject_atom::wasClicked()
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| 193 | {
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[57a770] | 194 | LOG(4, "INFO: GLMoleculeObject_atom: atom " << _atom->getId() << " has been clicked");
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[06ebf5] | 195 | emit clicked(_atom->getId());
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[907636] | 196 | }
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