| [0070aa] | 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)  2015 Frederik Heber. All rights reserved. | 
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|  | 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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|  | 21 | */ | 
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|  | 22 |  | 
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|  | 23 | /* | 
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|  | 24 | * QtObservedAtom.cpp | 
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|  | 25 | * | 
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|  | 26 | *  Created on: Oct 28, 2015 | 
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|  | 27 | *      Author: heber | 
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|  | 28 | */ | 
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|  | 29 |  | 
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|  | 30 |  | 
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|  | 31 | // include config.h | 
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|  | 32 | #ifdef HAVE_CONFIG_H | 
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|  | 33 | #include <config.h> | 
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|  | 34 | #endif | 
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|  | 35 |  | 
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|  | 36 | #include "QtObservedAtom.hpp" | 
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|  | 37 |  | 
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| [65c323] | 38 | #include "UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp" | 
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|  | 39 |  | 
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| [9eb71b3] | 40 | //#include "CodePatterns/MemDebug.hpp" | 
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| [0070aa] | 41 |  | 
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| [65c323] | 42 | #include <boost/assign.hpp> | 
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|  | 43 |  | 
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|  | 44 | #include "Atom/atom.hpp" | 
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|  | 45 | #include "Bond/bond.hpp" | 
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|  | 46 | #include "Descriptors/AtomIdDescriptor.hpp" | 
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|  | 47 | #include "Element/element.hpp" | 
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|  | 48 | #include "World.hpp" | 
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| [4dfe724] | 49 | #include "WorldTime.hpp" | 
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| [65c323] | 50 |  | 
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| [494478] | 51 | #include "UIElements/Qt4/InstanceBoard/ObservedValue_wCallback.hpp" | 
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| [65c323] | 52 |  | 
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|  | 53 | using namespace boost::assign; | 
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|  | 54 |  | 
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|  | 55 | static const Observable::channels_t getAtomBondsChannels() | 
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|  | 56 | { | 
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|  | 57 | Observable::channels_t channels; | 
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|  | 58 | channels += AtomObservable::BondsAdded, AtomObservable::BondsRemoved; | 
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|  | 59 | return channels; | 
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|  | 60 | } | 
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|  | 61 |  | 
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|  | 62 | static const Observable::channels_t getAllObservedChannels() | 
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|  | 63 | { | 
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|  | 64 | Observable::channels_t channels; | 
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|  | 65 | channels += | 
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|  | 66 | AtomObservable::IndexChanged, | 
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|  | 67 | AtomObservable::BondsAdded, | 
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| [fe493f] | 68 | AtomObservable::BondsRemoved, | 
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|  | 69 | AtomObservable::MoleculeChanged, | 
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|  | 70 | AtomObservable::NameChanged, | 
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|  | 71 | AtomObservable::ElementChanged, | 
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| [9e9100] | 72 | AtomObservable::PositionChanged, | 
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|  | 73 | AtomObservable::SelectionChanged; | 
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| [65c323] | 74 | return channels; | 
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|  | 75 | } | 
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|  | 76 |  | 
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|  | 77 | // static entities | 
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|  | 78 | const Observable::channels_t | 
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|  | 79 | QtObservedAtom::AtomIndexChannels(1, AtomObservable::IndexChanged); | 
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|  | 80 | const Observable::channels_t | 
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| [fe493f] | 81 | QtObservedAtom::AtomBondsChannels(getAtomBondsChannels()); | 
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| [65c323] | 82 | const Observable::channels_t | 
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|  | 83 | QtObservedAtom::AtomElementChannels(1, AtomObservable::ElementChanged); | 
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|  | 84 | const Observable::channels_t | 
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| [273c8a] | 85 | QtObservedAtom::MoleculeChangedChannels(1, AtomObservable::MoleculeChanged); | 
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| [fe493f] | 86 | const Observable::channels_t | 
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|  | 87 | QtObservedAtom::AtomNameChannels(1, AtomObservable::NameChanged); | 
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|  | 88 | const Observable::channels_t | 
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|  | 89 | QtObservedAtom::AtomPositionChannels(1, AtomObservable::PositionChanged); | 
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| [9e9100] | 90 | const Observable::channels_t | 
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| [897a01] | 91 | QtObservedAtom::AtomVelocityChannels(1, AtomObservable::VelocityChanged); | 
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|  | 92 | const Observable::channels_t | 
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|  | 93 | QtObservedAtom::AtomForceChannels(1, AtomObservable::ForceChanged); | 
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|  | 94 | const Observable::channels_t | 
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| [9e9100] | 95 | QtObservedAtom::AtomSelectedChannels(1, AtomObservable::SelectionChanged); | 
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| [65c323] | 96 |  | 
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| [98c35c] | 97 | QtObservedAtom::QtObservedAtom( | 
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| [62a0ee] | 98 | const atomId_t _id, | 
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|  | 99 | const atom * const _atom, | 
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| [65c323] | 100 | QtObservedInstanceBoard &_board, | 
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| [98c35c] | 101 | QWidget * _parent) : | 
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| [0070aa] | 102 | QWidget(_parent), | 
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| [98c35c] | 103 | Observer("QtObservedAtom"), | 
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| [65c323] | 104 | subjectKilledCount(0), | 
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|  | 105 | AllsignedOnChannels(getAllObservedChannels().size()), | 
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|  | 106 | signedOffChannels(0), | 
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|  | 107 | owner(NULL), | 
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| [08a7ecc] | 108 | index(static_cast<const ObservedValue_Index_t>(const_cast<const QtObservedAtom * const>(this))), | 
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| [65c323] | 109 | board(_board), | 
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| [04c3a3] | 110 | BoardIsGone(false), | 
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| [62a0ee] | 111 | ObservedValues(QtObservedAtom::MAX_ObservedTypes) | 
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| [65c323] | 112 | { | 
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| [d48a16] | 113 | boost::function<void ()> atomSubjectKilled( | 
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| [62a0ee] | 114 | boost::bind(&QtObservedAtom::countValuesSubjectKilled, | 
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|  | 115 | boost::ref(*this), | 
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| [ee3fb8] | 116 | boost::bind(&QtObservedAtom::getIndex, boost::ref(*this)))); | 
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| [62a0ee] | 117 | initObservedValues( ObservedValues, _id, _atom, atomSubjectKilled); | 
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|  | 118 |  | 
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|  | 119 | // activating Observer is done by ObservedValueContainer when it's inserted | 
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| [65c323] | 120 | } | 
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| [0070aa] | 121 |  | 
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|  | 122 | QtObservedAtom::~QtObservedAtom() | 
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| [65c323] | 123 | { | 
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| [ee3fb8] | 124 | boost::any_cast<ObservedValue_wCallback<atomId_t, ObservedValue_Index_t> *>(ObservedValues[AtomIndex])->noteCallBackIsGone(); | 
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|  | 125 | boost::any_cast<ObservedValue_wCallback<ListOfBonds_t, ObservedValue_Index_t> *>(ObservedValues[AtomBonds])->noteCallBackIsGone(); | 
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|  | 126 | boost::any_cast<ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t> *>(ObservedValues[AtomElement])->noteCallBackIsGone(); | 
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| [273c8a] | 127 | boost::any_cast<ObservedValue_wCallback<QtObservedMolecule*, ObservedValue_Index_t> *>(ObservedValues[MoleculeRef])->noteCallBackIsGone(); | 
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| [ee3fb8] | 128 | boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(ObservedValues[AtomName])->noteCallBackIsGone(); | 
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|  | 129 | boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[AtomPosition])->noteCallBackIsGone(); | 
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| [897a01] | 130 | boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[AtomVelocity])->noteCallBackIsGone(); | 
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|  | 131 | boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[AtomForce])->noteCallBackIsGone(); | 
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| [ee3fb8] | 132 | boost::any_cast<ObservedValue_wCallback<bool, ObservedValue_Index_t> *>(ObservedValues[AtomSelected])->noteCallBackIsGone(); | 
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| [04c3a3] | 133 |  | 
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| [65c323] | 134 | deactivateObserver(); | 
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| [c44763] | 135 |  | 
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|  | 136 | destroyObservedValues(ObservedValues); | 
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| [65c323] | 137 | } | 
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|  | 138 |  | 
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|  | 139 | const atom * const QtObservedAtom::getAtomConst(const atomId_t _id) | 
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|  | 140 | { | 
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|  | 141 | const atom * const _atom = const_cast<const World &>(World::getInstance()). | 
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|  | 142 | getAtom(AtomById(_id)); | 
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|  | 143 | return _atom; | 
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|  | 144 | } | 
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|  | 145 |  | 
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|  | 146 | atom * const QtObservedAtom::getAtom(const atomId_t _id) | 
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|  | 147 | { | 
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|  | 148 | atom * const _atom = World::getInstance().getAtom(AtomById(_id)); | 
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|  | 149 | return _atom; | 
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|  | 150 | } | 
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|  | 151 |  | 
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| [f35f7e] | 152 | #ifdef HAVE_INLINE | 
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|  | 153 | inline | 
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|  | 154 | #endif | 
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|  | 155 | atomId_t QtObservedAtom::updateIndex(const atom &_atomref) | 
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| [65c323] | 156 | { | 
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| [f35f7e] | 157 | return _atomref.getId(); | 
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| [65c323] | 158 | } | 
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|  | 159 |  | 
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| [fe493f] | 160 | QtObservedAtom::ListOfBonds_t QtObservedAtom::updateBonds( | 
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| [f35f7e] | 161 | const atom &_atom) | 
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| [65c323] | 162 | { | 
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| [fe493f] | 163 | ListOfBonds_t ListOfBonds; | 
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| [f35f7e] | 164 | // make sure bonds is up-to-date | 
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|  | 165 | const BondList ListBonds = _atom.getListOfBonds(); | 
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|  | 166 | for (BondList::const_iterator iter = ListBonds.begin(); | 
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|  | 167 | iter != ListBonds.end(); | 
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|  | 168 | ++iter) | 
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|  | 169 | ListOfBonds.insert( ListOfBonds.end(), std::make_pair( | 
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|  | 170 | (*iter)->leftatom->getId(), | 
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|  | 171 | (*iter)->rightatom->getId()) ); | 
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| [fe493f] | 172 | return ListOfBonds; | 
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| [65c323] | 173 | } | 
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|  | 174 |  | 
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| [f35f7e] | 175 | #ifdef HAVE_INLINE | 
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|  | 176 | inline | 
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|  | 177 | #endif | 
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| [65c323] | 178 | atomicNumber_t QtObservedAtom::updateElement( | 
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| [f35f7e] | 179 | const atom &_atom) | 
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| [65c323] | 180 | { | 
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| [f35f7e] | 181 | return _atom.getElementNo(); | 
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| [65c323] | 182 | } | 
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|  | 183 |  | 
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| [f35f7e] | 184 | #ifdef HAVE_INLINE | 
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|  | 185 | inline | 
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|  | 186 | #endif | 
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| [273c8a] | 187 | QtObservedMolecule* QtObservedAtom::updateMoleculeRef( | 
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| [f35f7e] | 188 | const atom &_atom) | 
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| [fe493f] | 189 | { | 
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| [f35f7e] | 190 | if (_atom.getMolecule() != NULL) { | 
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|  | 191 | const moleculeId_t molid = _atom.getMolecule()->getId(); | 
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| [273c8a] | 192 | const QtObservedMolecule::ptr mol = board.getObservedMolecule(molid); | 
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|  | 193 | ASSERT(mol, | 
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|  | 194 | "QtObservedAtom::updateMoleculeRef() - could not update the ref, " | 
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|  | 195 | +toString(molid)+" unknown to Instance board?"); | 
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|  | 196 | return mol.get(); | 
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| [fe493f] | 197 | } else { | 
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| [273c8a] | 198 | return (QtObservedMolecule*)NULL; | 
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| [fe493f] | 199 | } | 
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|  | 200 | } | 
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|  | 201 |  | 
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| [f35f7e] | 202 | #ifdef HAVE_INLINE | 
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|  | 203 | inline | 
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|  | 204 | #endif | 
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| [fe493f] | 205 | std::string QtObservedAtom::updateName( | 
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| [f35f7e] | 206 | const atom &_atom) | 
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| [65c323] | 207 | { | 
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| [f35f7e] | 208 | return _atom.getName(); | 
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| [fe493f] | 209 | } | 
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|  | 210 |  | 
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| [f35f7e] | 211 | #ifdef HAVE_INLINE | 
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|  | 212 | inline | 
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|  | 213 | #endif | 
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| [fe493f] | 214 | Vector QtObservedAtom::updatePosition( | 
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| [f35f7e] | 215 | const atom &_atom) | 
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| [fe493f] | 216 | { | 
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| [f35f7e] | 217 | return _atom.getPosition(); | 
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| [65c323] | 218 | } | 
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| [98c35c] | 219 |  | 
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| [897a01] | 220 | #ifdef HAVE_INLINE | 
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|  | 221 | inline | 
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|  | 222 | #endif | 
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|  | 223 | Vector QtObservedAtom::updateVelocity( | 
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|  | 224 | const atom &_atom) | 
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|  | 225 | { | 
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|  | 226 | return _atom.getAtomicVelocity(); | 
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|  | 227 | } | 
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|  | 228 |  | 
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|  | 229 | #ifdef HAVE_INLINE | 
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|  | 230 | inline | 
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|  | 231 | #endif | 
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|  | 232 | Vector QtObservedAtom::updateForce( | 
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|  | 233 | const atom &_atom) | 
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|  | 234 | { | 
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|  | 235 | return _atom.getAtomicForce(); | 
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|  | 236 | } | 
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|  | 237 |  | 
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| [f35f7e] | 238 | #ifdef HAVE_INLINE | 
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|  | 239 | inline | 
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|  | 240 | #endif | 
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| [9e9100] | 241 | bool QtObservedAtom::updateSelected( | 
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| [f35f7e] | 242 | const atom &_atom) | 
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| [9e9100] | 243 | { | 
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| [f35f7e] | 244 | return _atom.getSelected(); | 
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| [9e9100] | 245 | } | 
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|  | 246 |  | 
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| [98c35c] | 247 | void QtObservedAtom::update(Observable *publisher) | 
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| [65c323] | 248 | { | 
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|  | 249 | ASSERT(0, "QtObservedAtom::update() - we are not signed on for global updates."); | 
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|  | 250 | } | 
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| [98c35c] | 251 |  | 
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|  | 252 | void QtObservedAtom::subjectKilled(Observable *publisher) | 
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| [65c323] | 253 | { | 
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|  | 254 | ++signedOffChannels; | 
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|  | 255 |  | 
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| [ee3fb8] | 256 | checkForRemoval(getIndex()); | 
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| [62a0ee] | 257 | } | 
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|  | 258 |  | 
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| [ee3fb8] | 259 | void QtObservedAtom::countValuesSubjectKilled(ObservedValue_Index_t _id) | 
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| [62a0ee] | 260 | { | 
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| [ee3fb8] | 261 | ASSERT( _id == getIndex(), | 
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|  | 262 | "QtObservedAtom::countValuesSubjectKilled() - atom "+toString(getIndex()) | 
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| [62a0ee] | 263 | +" received countValuesSubjectKilled for atom id "+toString(_id)+"."); | 
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|  | 264 |  | 
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|  | 265 | ++subjectKilledCount; | 
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|  | 266 |  | 
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| [ee3fb8] | 267 | checkForRemoval(_id); | 
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| [62a0ee] | 268 | } | 
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|  | 269 |  | 
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|  | 270 | #ifdef HAVE_INLINE | 
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|  | 271 | inline | 
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|  | 272 | #endif | 
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| [ee3fb8] | 273 | void QtObservedAtom::checkForRemoval(ObservedValue_Index_t _id) | 
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| [62a0ee] | 274 | { | 
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|  | 275 | if ((signedOffChannels == AllsignedOnChannels) && (subjectKilledCount == MAX_ObservedTypes)) { | 
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| [65c323] | 276 | // remove owner: no more signOff needed | 
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|  | 277 | owner = NULL; | 
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|  | 278 |  | 
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| [fe493f] | 279 | emit atomRemoved(); | 
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| [4e6ffe] | 280 |  | 
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|  | 281 | if (!BoardIsGone) { | 
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| [ee3fb8] | 282 | board.markObservedAtomAsDisconnected(_id); | 
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|  | 283 | board.markObservedAtomForErase(_id); | 
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| [4e6ffe] | 284 | } | 
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| [65c323] | 285 | } | 
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|  | 286 | } | 
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| [98c35c] | 287 |  | 
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|  | 288 | void QtObservedAtom::recieveNotification(Observable *publisher, Notification_ptr notification) | 
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| [65c323] | 289 | { | 
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|  | 290 | // ObservedValues have been updated before, hence convert updates to Qt's signals | 
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| [4dfe724] | 291 | if (publisher == WorldTime::getPointer()) { | 
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|  | 292 | // force update of all changes that may occur from one time step to another | 
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|  | 293 | boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>( | 
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|  | 294 | ObservedValues[AtomPosition])->forceUpdate(); | 
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| [897a01] | 295 | boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>( | 
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|  | 296 | ObservedValues[AtomVelocity])->forceUpdate(); | 
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|  | 297 | boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>( | 
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|  | 298 | ObservedValues[AtomForce])->forceUpdate(); | 
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| [4dfe724] | 299 | boost::any_cast<ObservedValue_wCallback<QtObservedMolecule*, ObservedValue_Index_t> *>( | 
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|  | 300 | ObservedValues[MoleculeRef])->forceUpdate(); | 
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|  | 301 | // then tell Qt part about updates | 
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|  | 302 | emit positionChanged(); | 
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| [897a01] | 303 | emit velocityChanged(); | 
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|  | 304 | emit forceChanged(); | 
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| [4dfe724] | 305 | emit moleculeChanged(); | 
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|  | 306 | } else { | 
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|  | 307 | switch (notification->getChannelNo()) { | 
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|  | 308 | case AtomObservable::IndexChanged: | 
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|  | 309 | { | 
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|  | 310 | emit indexChanged(); | 
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|  | 311 | break; | 
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|  | 312 | } | 
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|  | 313 | case AtomObservable::BondsAdded: | 
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|  | 314 | case AtomObservable::BondsRemoved: | 
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|  | 315 | emit bondsChanged(); | 
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|  | 316 | break; | 
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|  | 317 | case AtomObservable::ElementChanged: | 
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|  | 318 | emit elementChanged(); | 
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|  | 319 | break; | 
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|  | 320 | case AtomObservable::MoleculeChanged: | 
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|  | 321 | emit moleculeChanged(); | 
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|  | 322 | break; | 
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|  | 323 | case AtomObservable::NameChanged: | 
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|  | 324 | emit nameChanged(); | 
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|  | 325 | break; | 
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|  | 326 | case AtomObservable::PositionChanged: | 
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|  | 327 | emit positionChanged(); | 
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|  | 328 | break; | 
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| [897a01] | 329 | case AtomObservable::VelocityChanged: | 
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|  | 330 | emit velocityChanged(); | 
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|  | 331 | break; | 
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|  | 332 | case AtomObservable::ForceChanged: | 
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|  | 333 | emit forceChanged(); | 
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|  | 334 | break; | 
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| [4dfe724] | 335 | case AtomObservable::SelectionChanged: | 
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|  | 336 | emit selectedChanged(); | 
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|  | 337 | break; | 
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|  | 338 | default: | 
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|  | 339 | ASSERT(0, "QtObservedAtom::recieveNotification() - we are not signed on to channel " | 
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|  | 340 | +toString(notification->getChannelNo())+" of the atom."); | 
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|  | 341 | break; | 
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| [1c0961] | 342 | } | 
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| [65c323] | 343 | } | 
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|  | 344 | } | 
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|  | 345 |  | 
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|  | 346 | void QtObservedAtom::activateObserver() | 
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|  | 347 | { | 
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|  | 348 | atom * atomref = getAtom(getAtomIndex()); | 
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|  | 349 | if (atomref != NULL) { | 
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|  | 350 | Observable::channels_t channels = getAllObservedChannels(); | 
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|  | 351 | owner = static_cast<const Observable *>(atomref); | 
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|  | 352 | for (Observable::channels_t::const_iterator iter = channels.begin(); | 
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|  | 353 | iter != channels.end(); ++iter) | 
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|  | 354 | owner->signOn(this, *iter); | 
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| [04c3a3] | 355 | if (!BoardIsGone) | 
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| [59eabc] | 356 | board.markObservedAtomAsConnected(getIndex()); | 
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| [65c323] | 357 | } else | 
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| [04c3a3] | 358 | signedOffChannels = AllsignedOnChannels; | 
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| [4dfe724] | 359 |  | 
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|  | 360 | WorldTime::getInstance().signOn(this, WorldTime::TimeChanged); | 
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| [65c323] | 361 | } | 
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|  | 362 |  | 
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|  | 363 | void QtObservedAtom::deactivateObserver() | 
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|  | 364 | { | 
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|  | 365 | // sign Off | 
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|  | 366 | if (owner != NULL) { | 
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|  | 367 | Observable::channels_t channels = getAllObservedChannels(); | 
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|  | 368 | for (Observable::channels_t::const_iterator iter = channels.begin(); | 
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|  | 369 | iter != channels.end(); ++iter) | 
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|  | 370 | owner->signOff(this, *iter); | 
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|  | 371 | owner = NULL; | 
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|  | 372 | signedOffChannels = AllsignedOnChannels; | 
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| [04c3a3] | 373 | if (!BoardIsGone) | 
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| [59eabc] | 374 | board.markObservedAtomAsDisconnected(getIndex()); | 
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| [65c323] | 375 | } | 
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| [4dfe724] | 376 |  | 
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|  | 377 | WorldTime::getInstance().signOff(this, WorldTime::TimeChanged); | 
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| [65c323] | 378 | } | 
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|  | 379 |  | 
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|  | 380 | void QtObservedAtom::initObservedValues( | 
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|  | 381 | ObservedValues_t &_ObservedValues, | 
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|  | 382 | const atomId_t _id, | 
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|  | 383 | const atom * const _atomref, | 
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| [d48a16] | 384 | const boost::function<void()> &_subjectKilled) | 
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| [65c323] | 385 | { | 
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|  | 386 | ASSERT( _ObservedValues.size() == MAX_ObservedTypes, | 
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|  | 387 | "QtObservedAtom::initObservedValues() - given ObservedValues has not correct size."); | 
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|  | 388 |  | 
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|  | 389 | // fill ObservedValues: then all the other that need index | 
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| [ee3fb8] | 390 | const boost::function<atomId_t ()> AtomIndexUpdater( | 
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|  | 391 | boost::bind(&QtObservedAtom::updateIndex, boost::cref(*_atomref))); | 
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| [65c323] | 392 | const boost::function<ListOfBonds_t ()> AtomBondsUpdater( | 
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| [f35f7e] | 393 | boost::bind(&QtObservedAtom::updateBonds, boost::cref(*_atomref))); | 
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| [fe493f] | 394 | const boost::function<atomicNumber_t ()> AtomElementUpdater( | 
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| [f35f7e] | 395 | boost::bind(&QtObservedAtom::updateElement, boost::cref(*_atomref))); | 
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| [fe493f] | 396 | const boost::function<std::string ()> AtomNameUpdater( | 
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| [f35f7e] | 397 | boost::bind(&QtObservedAtom::updateName, boost::cref(*_atomref))); | 
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| [fe493f] | 398 | const boost::function<Vector ()> AtomPositionUpdater( | 
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| [f35f7e] | 399 | boost::bind(&QtObservedAtom::updatePosition, boost::cref(*_atomref))); | 
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| [897a01] | 400 | const boost::function<Vector ()> AtomVelocityUpdater( | 
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|  | 401 | boost::bind(&QtObservedAtom::updateVelocity, boost::cref(*_atomref))); | 
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|  | 402 | const boost::function<Vector ()> AtomForceUpdater( | 
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|  | 403 | boost::bind(&QtObservedAtom::updateForce, boost::cref(*_atomref))); | 
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| [9e9100] | 404 | const boost::function<bool ()> AtomSelectedUpdater( | 
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| [f35f7e] | 405 | boost::bind(&QtObservedAtom::updateSelected, boost::cref(*_atomref))); | 
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| [273c8a] | 406 | const boost::function<QtObservedMolecule* ()> MoleculeRefUpdater( | 
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|  | 407 | boost::bind(&QtObservedAtom::updateMoleculeRef, this, boost::cref(*_atomref))); | 
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| [65c323] | 408 |  | 
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| [ee3fb8] | 409 | _ObservedValues[AtomIndex] = new ObservedValue_wCallback<atomId_t, ObservedValue_Index_t>( | 
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|  | 410 | _atomref, | 
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|  | 411 | AtomIndexUpdater, | 
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|  | 412 | "AtomIndex_"+toString(_id), | 
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|  | 413 | _id, | 
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|  | 414 | AtomIndexChannels, | 
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| [d48a16] | 415 | _subjectKilled); | 
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| [ee3fb8] | 416 | _ObservedValues[AtomBonds] = new ObservedValue_wCallback<ListOfBonds_t, ObservedValue_Index_t>( | 
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| [65c323] | 417 | _atomref, | 
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| [fe493f] | 418 | AtomBondsUpdater, | 
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|  | 419 | "AtomBonds_"+toString(_id), | 
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|  | 420 | AtomBondsUpdater(), | 
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|  | 421 | AtomBondsChannels, | 
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| [d48a16] | 422 | _subjectKilled); | 
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| [ee3fb8] | 423 | _ObservedValues[AtomElement] = new ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t>( | 
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| [65c323] | 424 | _atomref, | 
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|  | 425 | AtomElementUpdater, | 
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|  | 426 | "AtomElement"+toString(_id), | 
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|  | 427 | AtomElementUpdater(), | 
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|  | 428 | AtomElementChannels, | 
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| [d48a16] | 429 | _subjectKilled); | 
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| [ee3fb8] | 430 | _ObservedValues[AtomName] = new ObservedValue_wCallback<std::string, ObservedValue_Index_t>( | 
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| [fe493f] | 431 | _atomref, | 
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|  | 432 | AtomNameUpdater, | 
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|  | 433 | "AtomName"+toString(_id), | 
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|  | 434 | AtomNameUpdater(), | 
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|  | 435 | AtomNameChannels, | 
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| [d48a16] | 436 | _subjectKilled); | 
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| [ee3fb8] | 437 | _ObservedValues[AtomPosition] = new ObservedValue_wCallback<Vector, ObservedValue_Index_t>( | 
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| [fe493f] | 438 | _atomref, | 
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|  | 439 | AtomPositionUpdater, | 
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|  | 440 | "AtomPosition_"+toString(_id), | 
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|  | 441 | AtomPositionUpdater(), | 
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|  | 442 | AtomPositionChannels, | 
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| [d48a16] | 443 | _subjectKilled); | 
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| [897a01] | 444 | _ObservedValues[AtomVelocity] = new ObservedValue_wCallback<Vector, ObservedValue_Index_t>( | 
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|  | 445 | _atomref, | 
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|  | 446 | AtomVelocityUpdater, | 
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|  | 447 | "AtomVelocity_"+toString(_id), | 
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|  | 448 | AtomVelocityUpdater(), | 
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|  | 449 | AtomVelocityChannels, | 
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|  | 450 | _subjectKilled); | 
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|  | 451 | _ObservedValues[AtomForce] = new ObservedValue_wCallback<Vector, ObservedValue_Index_t>( | 
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|  | 452 | _atomref, | 
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|  | 453 | AtomForceUpdater, | 
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|  | 454 | "AtomForce_"+toString(_id), | 
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|  | 455 | AtomForceUpdater(), | 
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|  | 456 | AtomForceChannels, | 
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|  | 457 | _subjectKilled); | 
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| [ee3fb8] | 458 | _ObservedValues[AtomSelected] = new ObservedValue_wCallback<bool, ObservedValue_Index_t>( | 
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| [9e9100] | 459 | _atomref, | 
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|  | 460 | AtomSelectedUpdater, | 
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|  | 461 | "AtomSelected_"+toString(_id), | 
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|  | 462 | AtomSelectedUpdater(), | 
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|  | 463 | AtomSelectedChannels, | 
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| [d48a16] | 464 | _subjectKilled); | 
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| [273c8a] | 465 | _ObservedValues[MoleculeRef] = new ObservedValue_wCallback<QtObservedMolecule*, ObservedValue_Index_t>( | 
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|  | 466 | _atomref, | 
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|  | 467 | MoleculeRefUpdater, | 
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|  | 468 | "AtomMoleculeIndex"+toString(_id), | 
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|  | 469 | MoleculeRefUpdater(), | 
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|  | 470 | MoleculeChangedChannels, | 
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|  | 471 | _subjectKilled); | 
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| [65c323] | 472 | } | 
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|  | 473 |  | 
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|  | 474 | void QtObservedAtom::destroyObservedValues( | 
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|  | 475 | std::vector<boost::any> &_ObservedValues) | 
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|  | 476 | { | 
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| [ee3fb8] | 477 | delete boost::any_cast<ObservedValue_wCallback<atomId_t, ObservedValue_Index_t> *>(_ObservedValues[AtomIndex]); | 
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|  | 478 | delete boost::any_cast<ObservedValue_wCallback<ListOfBonds_t, ObservedValue_Index_t> *>(_ObservedValues[AtomBonds]); | 
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|  | 479 | delete boost::any_cast<ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t> *>(_ObservedValues[AtomElement]); | 
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|  | 480 | delete boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(_ObservedValues[AtomName]); | 
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|  | 481 | delete boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(_ObservedValues[AtomPosition]); | 
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| [897a01] | 482 | delete boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(_ObservedValues[AtomVelocity]); | 
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|  | 483 | delete boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(_ObservedValues[AtomForce]); | 
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| [ee3fb8] | 484 | delete boost::any_cast<ObservedValue_wCallback<bool, ObservedValue_Index_t> *>(_ObservedValues[AtomSelected]); | 
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| [273c8a] | 485 | delete boost::any_cast<ObservedValue_wCallback<QtObservedMolecule*, ObservedValue_Index_t> *>(_ObservedValues[MoleculeRef]); | 
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| [65c323] | 486 | _ObservedValues.clear(); | 
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|  | 487 | } | 
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|  | 488 |  | 
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| [59eabc] | 489 | ObservedValue_Index_t QtObservedAtom::getIndex() const | 
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|  | 490 | { | 
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| [498c678] | 491 | ASSERT( index != NULL, | 
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| [59eabc] | 492 | "QtObservedAtom::getIndex() - index is NULL"); | 
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| [498c678] | 493 | return index; | 
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| [59eabc] | 494 | } | 
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|  | 495 |  | 
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| [3b9aa1] | 496 | const atomId_t& QtObservedAtom::getAtomIndex() const | 
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| [65c323] | 497 | { | 
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| [ee3fb8] | 498 | return boost::any_cast<ObservedValue_wCallback<atomId_t, ObservedValue_Index_t> *>(ObservedValues[AtomIndex])->get(); | 
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| [65c323] | 499 | } | 
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|  | 500 |  | 
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| [3b9aa1] | 501 | const QtObservedAtom::ListOfBonds_t& QtObservedAtom::getAtomBonds() const | 
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| [65c323] | 502 | { | 
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| [ee3fb8] | 503 | return boost::any_cast<ObservedValue_wCallback<ListOfBonds_t, ObservedValue_Index_t> *>(ObservedValues[AtomBonds])->get(); | 
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| [65c323] | 504 | } | 
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|  | 505 |  | 
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| [3b9aa1] | 506 | const atomicNumber_t& QtObservedAtom::getAtomElement() const | 
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| [65c323] | 507 | { | 
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| [ee3fb8] | 508 | return boost::any_cast<ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t> *>(ObservedValues[AtomElement])->get(); | 
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| [65c323] | 509 | } | 
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|  | 510 |  | 
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| [3b9aa1] | 511 | const std::string& QtObservedAtom::getAtomName() const | 
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| [fe493f] | 512 | { | 
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| [ee3fb8] | 513 | return boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(ObservedValues[AtomName])->get(); | 
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| [fe493f] | 514 | } | 
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|  | 515 |  | 
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| [3b9aa1] | 516 | const Vector& QtObservedAtom::getAtomPosition() const | 
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| [fe493f] | 517 | { | 
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| [ee3fb8] | 518 | return boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[AtomPosition])->get(); | 
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| [65c323] | 519 | } | 
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| [9e9100] | 520 |  | 
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| [897a01] | 521 | const Vector& QtObservedAtom::getAtomVelocity() const | 
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|  | 522 | { | 
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|  | 523 | return boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[AtomVelocity])->get(); | 
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|  | 524 | } | 
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|  | 525 |  | 
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|  | 526 | const Vector& QtObservedAtom::getAtomForce() const | 
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|  | 527 | { | 
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|  | 528 | return boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[AtomForce])->get(); | 
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|  | 529 | } | 
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|  | 530 |  | 
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| [9e9100] | 531 | const bool QtObservedAtom::getAtomSelected() const | 
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|  | 532 | { | 
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| [ee3fb8] | 533 | return boost::any_cast<ObservedValue_wCallback<bool, ObservedValue_Index_t> *>(ObservedValues[AtomSelected])->get(); | 
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| [9e9100] | 534 | } | 
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| [273c8a] | 535 |  | 
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|  | 536 | const QtObservedMolecule* const QtObservedAtom::getMoleculeRef() const | 
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|  | 537 | { | 
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|  | 538 | return boost::any_cast<ObservedValue_wCallback<QtObservedMolecule*, ObservedValue_Index_t> *>(ObservedValues[MoleculeRef])->get(); | 
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|  | 539 | } | 
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