[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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