| [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 |  * QtObservedMolecule.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 "QtObservedMolecule.hpp"
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 | 37 | 
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| [494478] | 38 | #include "UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp"
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 | 39 | 
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| [0070aa] | 40 | #include "CodePatterns/MemDebug.hpp"
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| [494478] | 41 | #include "CodePatterns/Assert.hpp"
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 | 42 | #include "CodePatterns/Log.hpp"
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 | 43 | 
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 | 44 | #include <boost/assign.hpp>
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 | 45 | #include <boost/bind.hpp>
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 | 46 | 
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 | 47 | #include "UIElements/Qt4/InstanceBoard/ObservedValue_wCallback.hpp"
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 | 48 | 
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 | 49 | #include "Atom/atom.hpp"
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 | 50 | #include "Descriptors/MoleculeIdDescriptor.hpp"
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 | 51 | #include "World.hpp"
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 | 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 getAllObservedChannels()
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 | 56 | {
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 | 57 |   Observable::channels_t channels;
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 | 58 |   channels +=
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 | 59 |       molecule::AtomInserted,
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| [5a9e34] | 60 |       molecule::AtomMoved,
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| [494478] | 61 |       molecule::AtomRemoved,
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| [1b6415a] | 62 |       molecule::FormulaChanged,
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| [494478] | 63 |       molecule::IndexChanged,
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 | 64 |       molecule::MoleculeNameChanged,
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| [9e9100] | 65 |       molecule::BoundingBoxChanged,
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 | 66 |       molecule::SelectionChanged;
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| [494478] | 67 |   return channels;
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 | 68 | }
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 | 69 | 
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| [1b6415a] | 70 | static const Observable::channels_t getAllAtomCountChannels()
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 | 71 | {
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 | 72 |   Observable::channels_t channels;
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 | 73 |   channels +=
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 | 74 |       molecule::AtomInserted,
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 | 75 |       molecule::AtomRemoved;
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 | 76 |   return channels;
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 | 77 | }
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 | 78 | 
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| [5a9e34] | 79 | static const Observable::channels_t getAllCenterChannels()
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 | 80 | {
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 | 81 |   Observable::channels_t channels;
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 | 82 |   channels +=
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 | 83 |       molecule::AtomInserted,
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 | 84 |       molecule::AtomMoved,
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 | 85 |       molecule::AtomRemoved;
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 | 86 |   return channels;
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 | 87 | }
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 | 88 | 
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| [494478] | 89 | // static instances
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| [1b6415a] | 90 | const Observable::channels_t QtObservedMolecule::AtomCountChannels(getAllAtomCountChannels());
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| [5a9e34] | 91 | const Observable::channels_t QtObservedMolecule::BondCountChannels(getAllAtomCountChannels());
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| [494478] | 92 | const Observable::channels_t QtObservedMolecule::BoundingBoxChannels(1, molecule::BoundingBoxChanged);
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| [1b6415a] | 93 | const Observable::channels_t QtObservedMolecule::FormulaStringChannels(1, molecule::FormulaChanged);
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| [5a9e34] | 94 | const Observable::channels_t QtObservedMolecule::CenterChannels(getAllCenterChannels());
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| [494478] | 95 | const Observable::channels_t QtObservedMolecule::IndexChannels(1, molecule::IndexChanged);
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 | 96 | const Observable::channels_t QtObservedMolecule::NameChannels(1, molecule::MoleculeNameChanged);
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| [5a9e34] | 97 | const Observable::channels_t QtObservedMolecule::NonHydrogenCountChannels(1, molecule::FormulaChanged);
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| [9e9100] | 98 | const Observable::channels_t QtObservedMolecule::SelectedChannels(1, molecule::SelectionChanged);
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| [0070aa] | 99 | 
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| [98c35c] | 100 | QtObservedMolecule::QtObservedMolecule(
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| [62a0ee] | 101 |     const moleculeId_t _id,
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 | 102 |     const molecule * const _mol,
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| [494478] | 103 |     QtObservedInstanceBoard &_board,
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| [98c35c] | 104 |     QWidget * _parent) :
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| [0070aa] | 105 |   QWidget(_parent),
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| [98c35c] | 106 |   Observer("QtObservedMolecule"),
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| [494478] | 107 |   subjectKilledCount(0),
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 | 108 |   AllsignedOnChannels(getAllObservedChannels().size()),
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 | 109 |   signedOffChannels(0),
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 | 110 |   owner(NULL),
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| [08a7ecc] | 111 |   index(static_cast<const ObservedValue_Index_t>(const_cast<const QtObservedMolecule * const>(this))),
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| [494478] | 112 |   board(_board),
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| [04c3a3] | 113 |   BoardIsGone(false),
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| [62a0ee] | 114 |   ObservedValues(QtObservedMolecule::MAX_ObservedTypes)
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| [494478] | 115 | {
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| [d48a16] | 116 |   boost::function<void ()> moleculeSubjectKilled(
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| [62a0ee] | 117 |       boost::bind(&QtObservedMolecule::countValuesSubjectKilled,
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 | 118 |           boost::ref(*this),
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| [bf6245] | 119 |           boost::bind(&QtObservedMolecule::getIndex, boost::ref(*this))));
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| [62a0ee] | 120 |   initObservedValues(ObservedValues, _id, _mol, moleculeSubjectKilled);
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 | 121 | 
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| [68418e] | 122 |   // activating Observer is done by ObservedValueContainer when it's prepared
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| [494478] | 123 | }
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| [0070aa] | 124 | 
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 | 125 | QtObservedMolecule::~QtObservedMolecule()
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| [494478] | 126 | {
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| [bf6245] | 127 |   boost::any_cast<ObservedValue_wCallback<moleculeId_t, ObservedValue_Index_t> *>(ObservedValues[MolIndex])->noteCallBackIsGone();
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 | 128 |   boost::any_cast<ObservedValue_wCallback<int, ObservedValue_Index_t> *>(ObservedValues[AtomCount])->noteCallBackIsGone();
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 | 129 |   boost::any_cast<ObservedValue_wCallback<int, ObservedValue_Index_t> *>(ObservedValues[BondCount])->noteCallBackIsGone();
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 | 130 |   boost::any_cast<ObservedValue_wCallback<molecule::BoundingBoxInfo, ObservedValue_Index_t> *>(ObservedValues[BoundingBox])->noteCallBackIsGone();
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 | 131 |   boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(ObservedValues[FormulaString])->noteCallBackIsGone();
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 | 132 |   boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[MolCenter])->noteCallBackIsGone();
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 | 133 |   boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(ObservedValues[MolName])->noteCallBackIsGone();
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 | 134 |   boost::any_cast<ObservedValue_wCallback<int, ObservedValue_Index_t> *>(ObservedValues[NonHydrogenCount])->noteCallBackIsGone();
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 | 135 |   boost::any_cast<ObservedValue_wCallback<bool, ObservedValue_Index_t> *>(ObservedValues[MolSelected])->noteCallBackIsGone();
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| [04c3a3] | 136 | 
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| [494478] | 137 |   deactivateObserver();
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| [c44763] | 138 | 
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 | 139 |   destroyObservedValues(ObservedValues);
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| [494478] | 140 | }
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 | 141 | 
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 | 142 | void QtObservedMolecule::deactivateObserver()
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 | 143 | {
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 | 144 |   if (owner != NULL) {
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 | 145 |     Observable::channels_t channels = getAllObservedChannels();
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 | 146 |     for (Observable::channels_t::const_iterator iter = channels.begin();
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 | 147 |         iter != channels.end(); ++iter)
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 | 148 |       owner->signOff(this, *iter);
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 | 149 |     owner = NULL;
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 | 150 |     signedOffChannels = AllsignedOnChannels;
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| [04c3a3] | 151 |     if (!BoardIsGone)
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| [59eabc] | 152 |       board.markObservedMoleculeAsDisconnected(getIndex());
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| [494478] | 153 |   }
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 | 154 | }
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 | 155 | 
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 | 156 | void QtObservedMolecule::activateObserver()
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 | 157 | {
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 | 158 |   // sign on as observer (obtain non-const instance before)
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 | 159 |   const molecule * const _molecule = getMolecule(getMolIndex());
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 | 160 |   if (_molecule != NULL) {
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 | 161 |     Observable::channels_t channels = getAllObservedChannels();
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 | 162 |     owner = static_cast<const Observable *>(_molecule);
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 | 163 |     for (Observable::channels_t::const_iterator iter = channels.begin();
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 | 164 |         iter != channels.end(); ++iter)
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 | 165 |       owner->signOn(this, *iter);
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| [04c3a3] | 166 |     if (!BoardIsGone)
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| [59eabc] | 167 |       board.markObservedMoleculeAsConnected(getIndex());
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| [494478] | 168 |   } else
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 | 169 |     signedOffChannels = AllsignedOnChannels;
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 | 170 | }
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| [98c35c] | 171 | 
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 | 172 | void QtObservedMolecule::update(Observable *publisher)
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| [494478] | 173 | {
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 | 174 |   ASSERT(0,
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 | 175 |       "QtObservedMolecule::update() - general update from unexpected source.");
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 | 176 | }
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| [98c35c] | 177 | 
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 | 178 | void QtObservedMolecule::subjectKilled(Observable *publisher)
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| [494478] | 179 | {
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 | 180 |   ++signedOffChannels;
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 | 181 | 
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| [bf6245] | 182 |   checkForRemoval(getIndex());
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| [62a0ee] | 183 | }
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 | 184 | 
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| [bf6245] | 185 | void QtObservedMolecule::countValuesSubjectKilled(ObservedValue_Index_t _id)
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| [62a0ee] | 186 | {
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| [bf6245] | 187 |   ASSERT( _id == getIndex(),
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 | 188 |       "QtObservedAtom::countValuesSubjectKilled() - molecule "+toString(getIndex())
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| [62a0ee] | 189 |       +" received countValuesSubjectKilled for molecule id "+toString(_id)+".");
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 | 190 | 
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 | 191 |   ++subjectKilledCount;
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 | 192 | 
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| [bf6245] | 193 |   checkForRemoval(_id);
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| [62a0ee] | 194 | }
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 | 195 | 
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| [bf6245] | 196 | void QtObservedMolecule::checkForRemoval(ObservedValue_Index_t _id)
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| [62a0ee] | 197 | {
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 | 198 |   if ((signedOffChannels == AllsignedOnChannels) && (subjectKilledCount == MAX_ObservedTypes)) {
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| [494478] | 199 |     // remove owner: no more signOff needed
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 | 200 |     owner = NULL;
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 | 201 | 
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| [5a9e34] | 202 |     emit moleculeRemoved();
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| [4e6ffe] | 203 | 
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 | 204 |     if (!BoardIsGone) {
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| [bf6245] | 205 |       board.markObservedMoleculeAsDisconnected(_id);
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 | 206 |       board.markObservedMoleculeForErase(_id);
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| [4e6ffe] | 207 |     }
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| [494478] | 208 |   }
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 | 209 | }
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| [98c35c] | 210 | 
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 | 211 | void QtObservedMolecule::recieveNotification(Observable *publisher, Notification_ptr notification)
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| [494478] | 212 | {
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 | 213 |   const molecule * const _molecule = getMolecule(getMolIndex());
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 | 214 |   // when molecule is NULL we will soon get destroyed anyway
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 | 215 |   if (_molecule == NULL)
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 | 216 |     return;
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 | 217 |   if (publisher == dynamic_cast<const Observable*>(_molecule)){
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 | 218 |     // notification from atom
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 | 219 | #ifdef LOG_OBSERVER
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 | 220 |     observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(static_cast<Observer *>(this))
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 | 221 |           << " received notification from molecule " << getMolIndex() << " for channel "
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 | 222 |           << notification->getChannelNo() << ".";
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 | 223 | #endif
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 | 224 |     switch (notification->getChannelNo()) {
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 | 225 |       case molecule::AtomInserted:
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 | 226 |       {
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 | 227 |         const atomId_t _id = _molecule->lastChangedAtomId();
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| [1b07b1] | 228 |         QtObservedAtom::ptr _atom = board.getObservedAtom(_id);
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| [1b6415a] | 229 |         emit atomcountChanged();
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| [96e145] | 230 |         emit atomInserted(_atom, this);
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| [5a9e34] | 231 |         emit bondcountChanged();
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 | 232 |         emit boundingboxChanged();
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 | 233 |         emit centerChanged();
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 | 234 |         emit tesselationhullChanged();
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 | 235 |         break;
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 | 236 |       }
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 | 237 |       case molecule::AtomMoved:
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 | 238 |       {
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 | 239 |         emit boundingboxChanged();
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 | 240 |         emit centerChanged();
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 | 241 |         emit tesselationhullChanged();
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| [494478] | 242 |         break;
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 | 243 |       }
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 | 244 |       case molecule::AtomRemoved:
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 | 245 |       {
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 | 246 |         const atomId_t _id = _molecule->lastChangedAtomId();
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| [f91ef6] | 247 |         QtObservedAtom::ptr _atom = board.getObservedAtom(_id);
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| [1b6415a] | 248 |         emit atomcountChanged();
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| [f91ef6] | 249 |         emit atomRemoved(_atom->getIndex(), this);
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| [5a9e34] | 250 |         emit bondcountChanged();
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 | 251 |         emit boundingboxChanged();
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 | 252 |         emit centerChanged();
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 | 253 |         emit tesselationhullChanged();
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| [494478] | 254 |         break;
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 | 255 |       }
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 | 256 |       case molecule::BoundingBoxChanged:
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 | 257 |       {
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 | 258 |   #ifdef LOG_OBSERVER
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 | 259 |         observerLog().addMessage() << "++ Observer " << observerLog().getName(static_cast<Observer *>(this)) << " received notification that bounding box has changed.";
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 | 260 |   #endif
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 | 261 |         emit tesselationhullChanged();
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 | 262 |         emit boundingboxChanged();
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 | 263 |         break;
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 | 264 |       }
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| [1b6415a] | 265 |       case molecule::FormulaChanged:
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 | 266 |       {
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 | 267 |         emit formulaChanged();
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| [5a9e34] | 268 |         emit nononhydrogenChanged();
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| [1b6415a] | 269 |         break;
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 | 270 |       }
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| [494478] | 271 |       case molecule::IndexChanged:
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 | 272 |       {
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 | 273 |   #ifdef LOG_OBSERVER
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 | 274 |         const atomId_t _id = _molecule->lastChangedAtomId();
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 | 275 |         observerLog().addMessage() << "++ Observer " << observerLog().getName(static_cast<Observer *>(this)) << " received notification that atom "+toString(_id)+"'s index has changed.";
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 | 276 |   #endif
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| [522c45] | 277 |         emit indexChanged();
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| [494478] | 278 |         break;
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 | 279 |       }
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 | 280 |       case molecule::MoleculeNameChanged:
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 | 281 |       {
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 | 282 |   #ifdef LOG_OBSERVER
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 | 283 |         observerLog().addMessage() << "++ Observer " << observerLog().getName(static_cast<Observer *>(this)) << " received notification that name has changed.";
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 | 284 |   #endif
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 | 285 |         emit nameChanged();
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 | 286 |         break;
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 | 287 |       }
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| [9e9100] | 288 |       case molecule::SelectionChanged:
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 | 289 |       {
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 | 290 |   #ifdef LOG_OBSERVER
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 | 291 |         observerLog().addMessage() << "++ Observer " << observerLog().getName(static_cast<Observer *>(this)) << " received notification that selected has changed.";
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 | 292 |   #endif
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 | 293 |         emit selectedChanged();
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 | 294 |         break;
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 | 295 |       }
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| [494478] | 296 |       default:
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 | 297 |         break;
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 | 298 |     }
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 | 299 |   }
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 | 300 | }
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 | 301 | 
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 | 302 | const molecule * const QtObservedMolecule::getMolecule(const moleculeId_t _id)
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 | 303 | {
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 | 304 |   const molecule * const mol = const_cast<const World &>(World::getInstance()).
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 | 305 |       getMolecule(MoleculeById(_id));
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 | 306 |   return mol;
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 | 307 | }
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 | 308 | 
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 | 309 | static molecule::BoundingBoxInfo initBoundingBox()
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 | 310 | {
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 | 311 |   molecule::BoundingBoxInfo info;
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 | 312 |   info.position = zeroVec;
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 | 313 |   info.radius = 0.;
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 | 314 |   return info;
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 | 315 | }
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 | 316 | 
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 | 317 | void QtObservedMolecule::initObservedValues(
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 | 318 |     ObservedValues_t &_ObservedValues,
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 | 319 |     const moleculeId_t _molid,
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 | 320 |     const molecule * const _molref,
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| [d48a16] | 321 |     const boost::function<void()> &_subjectKilled)
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| [494478] | 322 | {
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 | 323 |   ASSERT( _ObservedValues.size() == MAX_ObservedTypes,
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 | 324 |       "QtObservedMolecule::initObservedValues() - given ObservedValues has not correct size.");
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 | 325 | 
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 | 326 |   // fill ObservedValues: then all the other that need index
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| [bf6245] | 327 |   const boost::function<moleculeId_t ()> MolIndexUpdater(
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 | 328 |       boost::bind(&QtObservedMolecule::updateIndex, boost::cref(*_molref)));
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| [1b6415a] | 329 |   const boost::function<int ()> AtomCountUpdater(
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| [f35f7e] | 330 |       boost::bind(&QtObservedMolecule::updateAtomCount, boost::cref(*_molref)));
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| [5a9e34] | 331 |   const boost::function<int ()> BondCountUpdater(
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| [f35f7e] | 332 |       boost::bind(&QtObservedMolecule::updateBondCount, boost::cref(*_molref)));
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| [5a9e34] | 333 |   const boost::function<Vector ()> MolCenterUpdater(
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| [f35f7e] | 334 |       boost::bind(&QtObservedMolecule::updateCenter, boost::cref(*_molref)));
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| [1b6415a] | 335 |   const boost::function<std::string ()> MolFormulaUpdater(
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| [f35f7e] | 336 |       boost::bind(&QtObservedMolecule::updateFormulaString, boost::cref(*_molref)));
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| [494478] | 337 |   const boost::function<std::string ()> MolNameUpdater(
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| [f35f7e] | 338 |       boost::bind(&QtObservedMolecule::updateName, boost::cref(*_molref)));
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| [5a9e34] | 339 |   const boost::function<int ()> NonHydrogenCountUpdater(
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| [f35f7e] | 340 |       boost::bind(&QtObservedMolecule::updateNonHydrogenCount, boost::cref(*_molref)));
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| [494478] | 341 |   const boost::function<molecule::BoundingBoxInfo ()> BoundingBoxUpdater(
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| [f35f7e] | 342 |       boost::bind(&QtObservedMolecule::updateBoundingBox, boost::cref(*_molref)));
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| [9e9100] | 343 |   const boost::function<bool ()> SelectedUpdater(
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| [f35f7e] | 344 |       boost::bind(&QtObservedMolecule::updateSelected, boost::cref(*_molref)));
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| [494478] | 345 | 
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| [bf6245] | 346 |   _ObservedValues[MolIndex] = new ObservedValue_wCallback<moleculeId_t, ObservedValue_Index_t>(
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 | 347 |         _molref,
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 | 348 |         MolIndexUpdater,
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 | 349 |         "MoleculeIndex_"+toString(_molid),
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 | 350 |         _molid,
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 | 351 |         IndexChannels,
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| [d48a16] | 352 |         _subjectKilled);
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| [bf6245] | 353 |   _ObservedValues[AtomCount] = new ObservedValue_wCallback<int, ObservedValue_Index_t>(
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| [494478] | 354 |       _molref,
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| [1b6415a] | 355 |       AtomCountUpdater,
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 | 356 |       "MoleculeAtomCount_"+toString(_molid),
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 | 357 |       AtomCountUpdater(),
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 | 358 |       AtomCountChannels,
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| [d48a16] | 359 |       _subjectKilled);
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| [bf6245] | 360 |   _ObservedValues[BondCount] = new ObservedValue_wCallback<int, ObservedValue_Index_t>(
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| [5a9e34] | 361 |       _molref,
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 | 362 |       BondCountUpdater,
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 | 363 |       "MoleculeBondCount_"+toString(_molid),
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 | 364 |       BondCountUpdater(),
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 | 365 |       BondCountChannels,
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| [d48a16] | 366 |       _subjectKilled);
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| [bf6245] | 367 |   _ObservedValues[BoundingBox] = new ObservedValue_wCallback<molecule::BoundingBoxInfo, ObservedValue_Index_t>(
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| [494478] | 368 |       _molref,
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 | 369 |       BoundingBoxUpdater,
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 | 370 |       "MoleculeBoundingBox_"+toString(_molid),
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 | 371 |       initBoundingBox(),
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 | 372 |       BoundingBoxChannels,
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| [d48a16] | 373 |       _subjectKilled);
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| [bf6245] | 374 |   _ObservedValues[FormulaString] = new ObservedValue_wCallback<std::string, ObservedValue_Index_t>(
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| [1b6415a] | 375 |       _molref,
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 | 376 |       MolFormulaUpdater,
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 | 377 |       "MoleculeFormula_"+toString(_molid),
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 | 378 |       MolFormulaUpdater(),
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 | 379 |       FormulaStringChannels,
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| [d48a16] | 380 |       _subjectKilled);
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| [bf6245] | 381 |   _ObservedValues[MolCenter] = new ObservedValue_wCallback<Vector, ObservedValue_Index_t>(
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| [5a9e34] | 382 |       _molref,
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 | 383 |       MolCenterUpdater,
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 | 384 |       "MoleculeCenter_"+toString(_molid),
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 | 385 |       MolCenterUpdater(),
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 | 386 |       CenterChannels,
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| [d48a16] | 387 |       _subjectKilled);
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| [bf6245] | 388 |   _ObservedValues[MolName] = new ObservedValue_wCallback<std::string, ObservedValue_Index_t>(
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| [1b6415a] | 389 |       _molref,
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 | 390 |       MolNameUpdater,
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 | 391 |       "MoleculeName_"+toString(_molid),
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 | 392 |       MolNameUpdater(),
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 | 393 |       NameChannels,
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| [d48a16] | 394 |       _subjectKilled);
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| [bf6245] | 395 |   _ObservedValues[NonHydrogenCount] = new ObservedValue_wCallback<int, ObservedValue_Index_t>(
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| [5a9e34] | 396 |       _molref,
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 | 397 |       NonHydrogenCountUpdater,
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 | 398 |       "MoleculeNonHydrogenCount_"+toString(_molid),
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 | 399 |       NonHydrogenCountUpdater(),
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 | 400 |       NonHydrogenCountChannels,
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| [d48a16] | 401 |       _subjectKilled);
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| [bf6245] | 402 |   _ObservedValues[MolSelected] = new ObservedValue_wCallback<bool, ObservedValue_Index_t>(
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| [9e9100] | 403 |       _molref,
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 | 404 |       SelectedUpdater,
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 | 405 |       "MoleculeSelected_"+toString(_molid),
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 | 406 |       SelectedUpdater(),
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 | 407 |       SelectedChannels,
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| [d48a16] | 408 |       _subjectKilled);
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| [494478] | 409 | }
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 | 410 | 
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 | 411 | void QtObservedMolecule::destroyObservedValues(
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 | 412 |     std::vector<boost::any> &_ObservedValues)
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 | 413 | {
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| [bf6245] | 414 |   delete boost::any_cast<ObservedValue_wCallback<moleculeId_t, ObservedValue_Index_t> *>(_ObservedValues[MolIndex]);
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 | 415 |   delete boost::any_cast<ObservedValue_wCallback<int, ObservedValue_Index_t> *>(_ObservedValues[AtomCount]);
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 | 416 |   delete boost::any_cast<ObservedValue_wCallback<int, ObservedValue_Index_t> *>(_ObservedValues[BondCount]);
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 | 417 |   delete boost::any_cast<ObservedValue_wCallback<molecule::BoundingBoxInfo, ObservedValue_Index_t> *>(_ObservedValues[BoundingBox]);
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 | 418 |   delete boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(_ObservedValues[FormulaString]);
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 | 419 |   delete boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(_ObservedValues[MolCenter]);
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 | 420 |   delete boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(_ObservedValues[MolName]);
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 | 421 |   delete boost::any_cast<ObservedValue_wCallback<int, ObservedValue_Index_t> *>(_ObservedValues[NonHydrogenCount]);
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 | 422 |   delete boost::any_cast<ObservedValue_wCallback<bool, ObservedValue_Index_t> *>(_ObservedValues[MolSelected]);
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| [494478] | 423 |   _ObservedValues.clear();
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 | 424 | }
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 | 425 | 
 | 
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| [f35f7e] | 426 | #ifdef HAVE_INLINE
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 | 427 | inline
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 | 428 | #endif
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 | 429 | int QtObservedMolecule::updateAtomCount(const molecule &mol)
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| [1b6415a] | 430 | {
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| [f35f7e] | 431 |   return mol.getAtomCount();
 | 
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| [1b6415a] | 432 | }
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 | 433 | 
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| [f35f7e] | 434 | #ifdef HAVE_INLINE
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 | 435 | inline
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 | 436 | #endif
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 | 437 | int QtObservedMolecule::updateBondCount(const molecule &mol)
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| [5a9e34] | 438 | {
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| [f35f7e] | 439 |   return mol.getBondCount();
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| [5a9e34] | 440 | }
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|---|
 | 441 | 
 | 
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| [f35f7e] | 442 | #ifdef HAVE_INLINE
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 | 443 | inline
 | 
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 | 444 | #endif
 | 
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 | 445 | molecule::BoundingBoxInfo QtObservedMolecule::updateBoundingBox(const molecule &mol)
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| [494478] | 446 | {
 | 
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| [f35f7e] | 447 |   return mol.getBoundingBox();
 | 
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| [494478] | 448 | }
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|---|
 | 449 | 
 | 
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| [f35f7e] | 450 | #ifdef HAVE_INLINE
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 | 451 | inline
 | 
|---|
 | 452 | #endif
 | 
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 | 453 | std::string QtObservedMolecule::updateFormulaString(const molecule &mol)
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| [1b6415a] | 454 | {
 | 
|---|
| [f35f7e] | 455 |   return mol.getFormula().toString();
 | 
|---|
| [1b6415a] | 456 | }
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|---|
 | 457 | 
 | 
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| [f35f7e] | 458 | #ifdef HAVE_INLINE
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|---|
 | 459 | inline
 | 
|---|
 | 460 | #endif
 | 
|---|
 | 461 | Vector QtObservedMolecule::updateCenter(const molecule &mol)
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|---|
| [5a9e34] | 462 | {
 | 
|---|
| [f35f7e] | 463 |   return mol.DetermineCenterOfAll();
 | 
|---|
| [5a9e34] | 464 | }
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|---|
 | 465 | 
 | 
|---|
| [f35f7e] | 466 | #ifdef HAVE_INLINE
 | 
|---|
 | 467 | inline
 | 
|---|
 | 468 | #endif
 | 
|---|
 | 469 | moleculeId_t QtObservedMolecule::updateIndex(const molecule &mol)
 | 
|---|
| [494478] | 470 | {
 | 
|---|
| [f35f7e] | 471 |   return mol.getId();
 | 
|---|
| [494478] | 472 | }
 | 
|---|
 | 473 | 
 | 
|---|
| [f35f7e] | 474 | #ifdef HAVE_INLINE
 | 
|---|
 | 475 | inline
 | 
|---|
 | 476 | #endif
 | 
|---|
 | 477 | std::string QtObservedMolecule::updateName(const molecule &mol)
 | 
|---|
| [494478] | 478 | {
 | 
|---|
| [f35f7e] | 479 |   return mol.getName();
 | 
|---|
| [494478] | 480 | }
 | 
|---|
 | 481 | 
 | 
|---|
| [f35f7e] | 482 | #ifdef HAVE_INLINE
 | 
|---|
 | 483 | inline
 | 
|---|
 | 484 | #endif
 | 
|---|
 | 485 | int QtObservedMolecule::updateNonHydrogenCount(const molecule &mol)
 | 
|---|
| [5a9e34] | 486 | {
 | 
|---|
| [f35f7e] | 487 |   return mol.getNoNonHydrogen();
 | 
|---|
| [5a9e34] | 488 | }
 | 
|---|
 | 489 | 
 | 
|---|
| [f35f7e] | 490 | #ifdef HAVE_INLINE
 | 
|---|
 | 491 | inline
 | 
|---|
 | 492 | #endif
 | 
|---|
 | 493 | bool QtObservedMolecule::updateSelected(const molecule &mol)
 | 
|---|
| [9e9100] | 494 | {
 | 
|---|
| [f35f7e] | 495 |   return mol.getSelected();
 | 
|---|
| [9e9100] | 496 | }
 | 
|---|
 | 497 | 
 | 
|---|
| [59eabc] | 498 | ObservedValue_Index_t QtObservedMolecule::getIndex() const
 | 
|---|
 | 499 | {
 | 
|---|
| [2560f1] | 500 |   ASSERT( index != NULL,
 | 
|---|
| [59eabc] | 501 |       "QtObservedMolecule::getIndex() - index is NULL");
 | 
|---|
| [2560f1] | 502 |   return index;
 | 
|---|
| [59eabc] | 503 | }
 | 
|---|
 | 504 | 
 | 
|---|
| [3b9aa1] | 505 | const int& QtObservedMolecule::getAtomCount() const
 | 
|---|
| [1b6415a] | 506 | {
 | 
|---|
| [bf6245] | 507 |   return boost::any_cast<ObservedValue_wCallback<int, ObservedValue_Index_t> *>(ObservedValues[AtomCount])->get();
 | 
|---|
| [1b6415a] | 508 | }
 | 
|---|
 | 509 | 
 | 
|---|
| [3b9aa1] | 510 | const int& QtObservedMolecule::getBondCount() const
 | 
|---|
| [5a9e34] | 511 | {
 | 
|---|
| [bf6245] | 512 |   return boost::any_cast<ObservedValue_wCallback<int, ObservedValue_Index_t> *>(ObservedValues[BondCount])->get();
 | 
|---|
| [5a9e34] | 513 | }
 | 
|---|
 | 514 | 
 | 
|---|
| [3b9aa1] | 515 | const std::string& QtObservedMolecule::getMolFormula() const
 | 
|---|
| [1b6415a] | 516 | {
 | 
|---|
| [bf6245] | 517 |   return boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(ObservedValues[FormulaString])->get();
 | 
|---|
| [1b6415a] | 518 | }
 | 
|---|
 | 519 | 
 | 
|---|
| [3b9aa1] | 520 | const Vector& QtObservedMolecule::getMolCenter() const
 | 
|---|
| [5a9e34] | 521 | {
 | 
|---|
| [bf6245] | 522 |   return boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[MolCenter])->get();
 | 
|---|
| [5a9e34] | 523 | }
 | 
|---|
 | 524 | 
 | 
|---|
| [3b9aa1] | 525 | const moleculeId_t& QtObservedMolecule::getMolIndex() const
 | 
|---|
| [494478] | 526 | {
 | 
|---|
| [bf6245] | 527 |   return boost::any_cast<ObservedValue_wCallback<moleculeId_t, ObservedValue_Index_t> *>(ObservedValues[MolIndex])->get();
 | 
|---|
| [494478] | 528 | }
 | 
|---|
 | 529 | 
 | 
|---|
| [3b9aa1] | 530 | const std::string& QtObservedMolecule::getMolName() const
 | 
|---|
| [494478] | 531 | {
 | 
|---|
| [bf6245] | 532 |   return boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(ObservedValues[MolName])->get();
 | 
|---|
| [494478] | 533 | }
 | 
|---|
 | 534 | 
 | 
|---|
| [3b9aa1] | 535 | const int& QtObservedMolecule::getNonHydrogenCount() const
 | 
|---|
| [5a9e34] | 536 | {
 | 
|---|
| [bf6245] | 537 |   return boost::any_cast<ObservedValue_wCallback<int, ObservedValue_Index_t> *>(ObservedValues[NonHydrogenCount])->get();
 | 
|---|
| [5a9e34] | 538 | }
 | 
|---|
 | 539 | 
 | 
|---|
| [3b9aa1] | 540 | const molecule::BoundingBoxInfo& QtObservedMolecule::getBoundingBox() const
 | 
|---|
| [494478] | 541 | {
 | 
|---|
| [bf6245] | 542 |   return boost::any_cast<ObservedValue_wCallback<molecule::BoundingBoxInfo, ObservedValue_Index_t> *>(ObservedValues[BoundingBox])->get();
 | 
|---|
| [494478] | 543 | }
 | 
|---|
| [9e9100] | 544 | 
 | 
|---|
 | 545 | const bool& QtObservedMolecule::getMolSelected() const
 | 
|---|
 | 546 | {
 | 
|---|
| [bf6245] | 547 |   return boost::any_cast<ObservedValue_wCallback<bool, ObservedValue_Index_t> *>(ObservedValues[MolSelected])->get();
 | 
|---|
| [9e9100] | 548 | }
 | 
|---|