[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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