[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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[94d5ac6] | 5 | *
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| 6 | *
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| 7 | * This file is part of MoleCuilder.
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| 8 | *
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| 9 | * MoleCuilder is free software: you can redistribute it and/or modify
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| 10 | * it under the terms of the GNU General Public License as published by
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| 11 | * the Free Software Foundation, either version 2 of the License, or
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| 12 | * (at your option) any later version.
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| 13 | *
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| 14 | * MoleCuilder is distributed in the hope that it will be useful,
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| 15 | * but WITHOUT ANY WARRANTY; without even the implied warranty of
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| 16 | * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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| 17 | * GNU General Public License for more details.
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| 18 | *
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| 19 | * You should have received a copy of the GNU General Public License
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| 20 | * along with MoleCuilder. If not, see <http://www.gnu.org/licenses/>.
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[907636] | 21 | */
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| 22 |
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| 23 | /*
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| 24 | * GLMoleculeObject_atom.cpp
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| 25 | *
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| 26 | * Created on: Aug 17, 2011
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| 27 | * Author: heber
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| 28 | */
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| 29 |
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| 30 | // include config.h
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| 31 | #ifdef HAVE_CONFIG_H
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| 32 | #include <config.h>
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| 33 | #endif
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| 34 |
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| 35 | #include "GLMoleculeObject_atom.hpp"
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| 36 |
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| 37 | #include <Qt3D/qglscenenode.h>
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| 38 |
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| 39 | #include "CodePatterns/MemDebug.hpp"
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| 40 |
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| 41 | #include "CodePatterns/Assert.hpp"
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[7188b1] | 42 | #include "CodePatterns/Log.hpp"
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[02ce36] | 43 | #include "CodePatterns/Observer/Notification.hpp"
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[907636] | 44 |
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[2ad1ec] | 45 | #include "Atom/atom.hpp"
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| 46 | #include "Bond/bond.hpp"
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[7188b1] | 47 | #include "Descriptors/AtomIdDescriptor.hpp"
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[3bdb6d] | 48 | #include "Element/element.hpp"
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[907636] | 49 | #include "LinearAlgebra/Vector.hpp"
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[2ad1ec] | 50 | #include "GLMoleculeObject_bond.hpp"
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[7188b1] | 51 | #include "World.hpp"
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[907636] | 52 |
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[72a4c1] | 53 | GLMoleculeObject_atom::GLMoleculeObject_atom(QGLSceneNode *mesh[], QObject *parent, const atom *atomref) :
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[bca99d] | 54 | GLMoleculeObject(mesh, parent),
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[2ad1ec] | 55 | Observer(std::string("GLMoleculeObject_atom")+toString(atomref->getId())),
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| 56 | _atom(atomref)
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[7188b1] | 57 | {
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| 58 | // sign on as observer (obtain non-const instance before)
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[02ce36] | 59 | atomref->signOn(this, AtomObservable::IndexChanged);
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| 60 | atomref->signOn(this, AtomObservable::PositionChanged);
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| 61 | atomref->signOn(this, AtomObservable::ElementChanged);
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[2ad1ec] | 62 | atomref->signOn(this, AtomObservable::BondsAdded);
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[d53902] | 63 | World::getInstance().signOn(this, World::SelectionChanged);
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[7188b1] | 64 |
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| 65 | // set the object's id
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| 66 | resetProperties();
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| 67 |
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[57a770] | 68 | LOG(2, "INFO: Created sphere for atom " << _atom->getId() << ".");
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[7188b1] | 69 |
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| 70 | connect( this, SIGNAL(clicked()), this, SLOT(wasClicked()));
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| 71 | }
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| 72 |
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[9c18e4] | 73 | GLMoleculeObject_atom::~GLMoleculeObject_atom()
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| 74 | {
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[c736fe] | 75 | if (_atom){
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| 76 | _atom->signOff(this, AtomObservable::IndexChanged);
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| 77 | _atom->signOff(this, AtomObservable::PositionChanged);
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| 78 | _atom->signOff(this, AtomObservable::ElementChanged);
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| 79 | _atom->signOff(this, AtomObservable::BondsAdded);
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| 80 | }
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[d53902] | 81 | World::getInstance().signOff(this, World::SelectionChanged);
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[9c18e4] | 82 | }
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| 83 |
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[7188b1] | 84 | void GLMoleculeObject_atom::update(Observable *publisher)
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| 85 | {
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[57a770] | 86 | #ifdef LOG_OBSERVER
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| 87 | observerLog().addMessage() << "++ Update of Observer " << observerLog().getName(this) << " from atom "+toString(_atom->getId())+".";
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| 88 | #endif
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[7188b1] | 89 | resetProperties();
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| 90 | }
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| 91 |
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| 92 | void GLMoleculeObject_atom::resetPosition()
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[907636] | 93 | {
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| 94 | const Vector Position = _atom->getPosition();
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[57a770] | 95 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new position is "+toString(Position)+".");
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[7188b1] | 96 | setPosition(QVector3D(Position[0], Position[1], Position[2]));
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| 97 | }
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| 98 |
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| 99 | void GLMoleculeObject_atom::resetElement()
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| 100 | {
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| 101 | size_t elementno = 0;
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| 102 | if (_atom->getType() != NULL) {
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[ed26ae] | 103 | elementno = _atom->getType()->getAtomicNumber();
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[7188b1] | 104 | } else { // if no element yet, set to hydrogen
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| 105 | elementno = 1;
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| 106 | }
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[57a770] | 107 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new element number is "+toString(elementno)+".");
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[907636] | 108 |
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| 109 | // set materials
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| 110 | QGLMaterial *elementmaterial = getMaterial(elementno);
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| 111 | ASSERT(elementmaterial != NULL,
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| 112 | "GLMoleculeObject_atom::GLMoleculeObject_atom() - QGLMaterial ref from getter function is NULL.");
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| 113 | setMaterial(elementmaterial);
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| 114 |
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[7188b1] | 115 | // set scale
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| 116 | double radius = 0.;
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| 117 | if (_atom->getType() != NULL) {
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| 118 | radius = _atom->getType()->getVanDerWaalsRadius();
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| 119 | } else {
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| 120 | radius = 0.5;
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| 121 | }
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[3927ef] | 122 | setScale( radius / 4. );
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[7188b1] | 123 | }
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| 124 |
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| 125 | void GLMoleculeObject_atom::resetIndex()
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| 126 | {
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[30cd0d] | 127 | int oldId = objectId();
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[7188b1] | 128 | const size_t atomno = _atom->getId();
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[57a770] | 129 | LOG(4, "INFO: GLMoleculeObject_atom::resetIndex() - new index is "+toString(atomno)+".");
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[7188b1] | 130 | setObjectId(atomno);
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[30cd0d] | 131 |
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| 132 | emit indexChanged(this, oldId, atomno);
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[7188b1] | 133 | }
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| 134 |
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| 135 | void GLMoleculeObject_atom::resetProperties()
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| 136 | {
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[907636] | 137 | // set position
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[7188b1] | 138 | resetPosition();
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[907636] | 139 |
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[7188b1] | 140 | // set element
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| 141 | resetElement();
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[907636] | 142 |
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| 143 | // set the object's id
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[7188b1] | 144 | resetIndex();
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[d53902] | 145 |
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| 146 | // selected?
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| 147 | setSelected(World::getInstance().isSelected(_atom));
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[7188b1] | 148 | }
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[907636] | 149 |
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[7188b1] | 150 | void GLMoleculeObject_atom::subjectKilled(Observable *publisher)
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[c736fe] | 151 | {
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| 152 | _atom = NULL;
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| 153 | }
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[06ebf5] | 154 |
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[7188b1] | 155 | void GLMoleculeObject_atom::recieveNotification(Observable *publisher, Notification_ptr notification)
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| 156 | {
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[d53902] | 157 | if (publisher == dynamic_cast<const Observable*>(_atom)){
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| 158 | // notofication from atom
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[57a770] | 159 | #ifdef LOG_OBSERVER
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[d53902] | 160 | observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
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| 161 | << " received notification from atom " << _atom->getId() << " for channel "
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| 162 | << notification->getChannelNo() << ".";
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[57a770] | 163 | #endif
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[d53902] | 164 | switch (notification->getChannelNo()) {
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| 165 | case AtomObservable::ElementChanged:
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| 166 | resetElement();
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[5a2a06] | 167 | emit changed();
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[d53902] | 168 | break;
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| 169 | case AtomObservable::IndexChanged:
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| 170 | resetIndex();
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| 171 | break;
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| 172 | case AtomObservable::PositionChanged:
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| 173 | resetPosition();
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[5a2a06] | 174 | emit changed();
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[d53902] | 175 | break;
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| 176 | case AtomObservable::BondsAdded:
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[2ad1ec] | 177 | {
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[d53902] | 178 | ASSERT(!_atom->getListOfBonds().empty(),
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| 179 | "GLMoleculeObject_atom::recieveNotification() - received BondsAdded but ListOfBonds is empty.");
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[88c8ec] | 180 | const bond::ptr _bond = *(_atom->getListOfBonds().rbegin());
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[d53902] | 181 | const GLMoleculeObject_bond::SideOfBond side = (_bond->leftatom == _atom) ?
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| 182 | GLMoleculeObject_bond::left : GLMoleculeObject_bond::right;
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| 183 | emit BondsInserted(_bond, side);
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| 184 | break;
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| 185 | }
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| 186 | default:
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| 187 | //setProperties();
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| 188 | break;
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| 189 | }
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| 190 | }else{
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| 191 | // notification from world
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| 192 | #ifdef LOG_OBSERVER
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| 193 | observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(this)
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| 194 | << " received notification from world for channel "
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| 195 | << notification->getChannelNo() << ".";
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| 196 | #endif
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| 197 | switch (notification->getChannelNo()) {
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| 198 | case World::SelectionChanged:
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| 199 | setSelected(World::getInstance().isSelected(_atom));
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| 200 | break;
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| 201 | default:
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[2ad1ec] | 202 | break;
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[d53902] | 203 | }
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[7188b1] | 204 | }
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[06ebf5] | 205 | }
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| 206 |
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| 207 | void GLMoleculeObject_atom::wasClicked()
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| 208 | {
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[57a770] | 209 | LOG(4, "INFO: GLMoleculeObject_atom: atom " << _atom->getId() << " has been clicked");
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[06ebf5] | 210 | emit clicked(_atom->getId());
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[907636] | 211 | }
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