| 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)  2016 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 |  * QtObservedBond.cpp
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| 25 |  *
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| 26 |  *  Created on: Mar 03, 2016
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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 "QtObservedBond.hpp"
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| 37 | 
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| 38 | #include <QtCore/QMetaType>
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| 39 | 
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| 40 | #include "UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp"
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| 41 | 
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| 42 | #include "CodePatterns/MemDebug.hpp"
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| 43 | 
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| 44 | #include <boost/assign.hpp>
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| 45 | 
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| 46 | #include "Atom/atom.hpp"
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| 47 | #include "Bond/bond.hpp"
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| 48 | #include "World.hpp"
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| 49 | 
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| 50 | #include "UIElements/Qt4/InstanceBoard/ObservedValue_wCallback.hpp"
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| 51 | 
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| 52 | using namespace boost::assign;
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| 53 | 
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| 54 | static const Observable::channels_t getAllObservedAtomChannels()
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| 55 | {
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| 56 |   Observable::channels_t channels;
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| 57 |   channels +=
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| 58 |       AtomObservable::IndexChanged,
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| 59 |       AtomObservable::ElementChanged,
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| 60 |       AtomObservable::PositionChanged;
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| 61 |   return channels;
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| 62 | }
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| 63 | 
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| 64 | static const molecule * getMolecule(const bond::ptr _bond)
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| 65 | {
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| 66 |   ASSERT( _bond->leftatom->getMolecule() == _bond->rightatom->getMolecule(),
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| 67 |       "getMolecule() - leftatom and rightatom belong to different molecules.");
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| 68 |   return _bond->leftatom->getMolecule();
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| 69 | }
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| 70 | 
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| 71 | static const molecule * const getMoleculeConst(const bond::ptr _bond)
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| 72 | {
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| 73 |   ASSERT( _bond->leftatom->getMolecule() == _bond->rightatom->getMolecule(),
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| 74 |       "getMolecule() - leftatom and rightatom belong to different molecules.");
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| 75 |   return _bond->leftatom->getMolecule();
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| 76 | }
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| 77 | 
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| 78 | template <class T>
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| 79 | Observable * const getObservable(const T * _ptr)
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| 80 | {
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| 81 |   return static_cast<Observable * const>(
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| 82 |       const_cast<T * const>(_ptr));
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| 83 | }
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| 84 | 
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| 85 | static QtObservedBond::ObservableCount_t initAllsignedOnChannels(const bond::ptr _bond)
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| 86 | {
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| 87 |   const QtObservedBond::ObservableCount_t returnlist =
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| 88 |       boost::assign::list_of< QtObservedBond::ObservableCount_t::value_type >
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| 89 |             ( getObservable(_bond.get()), 1)
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| 90 |             ( getObservable(_bond->leftatom), getAllObservedAtomChannels().size())
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| 91 |             ( getObservable(_bond->rightatom), getAllObservedAtomChannels().size())
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| 92 |             ( getObservable(getMolecule(_bond)), 1);
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| 93 |   return returnlist;
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| 94 | }
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| 95 | 
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| 96 | 
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| 97 | // static entities
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| 98 | const Observable::channels_t
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| 99 | QtObservedBond::BondDegreeChannels(1, BondObservable::DegreeChanged);
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| 100 | 
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| 101 | 
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| 102 | QtObservedBond::QtObservedBond(
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| 103 |     const bondId_t _id,
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| 104 |     const bond::ptr _bond,
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| 105 |     QtObservedInstanceBoard &_board,
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| 106 |     QWidget * _parent) :
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| 107 |   QWidget(_parent),
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| 108 |   Observer("QtObservedBond"),
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| 109 |   AllsignedOnChannels(initAllsignedOnChannels(_bond)),
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| 110 |   bondowner(NULL),
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| 111 |   leftatomowner(NULL),
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| 112 |   rightatomowner(NULL),
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| 113 |   moleculeowner(NULL),
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| 114 |   oldbondId(_id),
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| 115 |   oldleftatomId(_id.first),
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| 116 |   oldrightatomId(_id.second),
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| 117 |   oldmoleculeId(getMolecule(_bond)->getId()),
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| 118 |   board(_board),
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| 119 |   BoardIsGone(false),
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| 120 |   ObservedValues(QtObservedBond::MAX_ObservedTypes)
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| 121 | {
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| 122 |   qRegisterMetaType<bondId_t>("bondId_t");
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| 123 | 
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| 124 |   typedef boost::function<ObservableCount_t::mapped_type& (const ObservableCount_t::key_type&)> map_accessor_t;
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| 125 |   const map_accessor_t accessor =
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| 126 |       boost::bind<ObservableCount_t::mapped_type&>(
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| 127 |           &ObservableCount_t::at,
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| 128 |           boost::ref(subjectKilledCount), _1);
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| 129 | 
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| 130 |   const boost::function<void (const ObservedValue_Index_t)> bondSubjectKilled(
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| 131 |       boost::bind(&QtObservedBond::countValuesSubjectKilled,
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| 132 |           boost::ref(*this),
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| 133 |           boost::bind(&QtObservedBond::getIndex, boost::cref(*this)),
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| 134 |           boost::bind(accessor,
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| 135 |               getObservable(_bond.get()))));
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| 136 |   const boost::function<void (const ObservedValue_Index_t)> leftatomSubjectKilled(
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| 137 |       boost::bind(&QtObservedBond::countValuesSubjectKilled,
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| 138 |           boost::ref(*this),
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| 139 |           boost::bind(&QtObservedBond::getIndex, boost::cref(*this)),
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| 140 |           boost::bind(accessor,
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| 141 |               getObservable(_bond->leftatom))));
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| 142 |   const boost::function<void (const ObservedValue_Index_t)> rightatomSubjectKilled(
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| 143 |       boost::bind(&QtObservedBond::countValuesSubjectKilled,
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| 144 |           boost::ref(*this),
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| 145 |           boost::bind(&QtObservedBond::getIndex, boost::cref(*this)),
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| 146 |           boost::bind(accessor,
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| 147 |               getObservable(_bond->rightatom))));
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| 148 |   const boost::function<void (const ObservedValue_Index_t)> moleculeSubjectKilled(
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| 149 |       boost::bind(&QtObservedBond::countValuesSubjectKilled,
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| 150 |           boost::ref(*this),
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| 151 |           boost::bind(&QtObservedBond::getIndex, boost::cref(*this)),
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| 152 |           boost::bind(accessor,
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| 153 |               getObservable(getMolecule(_bond)))));
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| 154 |   initObservedValues( ObservedValues, _id, _bond,
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| 155 |       bondSubjectKilled, leftatomSubjectKilled, rightatomSubjectKilled, moleculeSubjectKilled);
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| 156 | 
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| 157 |   // activating Observer is done by ObservedValueContainer when it's inserted
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| 158 | }
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| 159 | 
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| 160 | QtObservedBond::~QtObservedBond()
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| 161 | {
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| 162 |   boost::any_cast<ObservedValue_wCallback<int, ObservedValue_Index_t> *>(ObservedValues[BondDegree])->noteCallBackIsGone();
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| 163 |   boost::any_cast<ObservedValue_wCallback<atomId_t, ObservedValue_Index_t> *>(ObservedValues[leftAtomIndex])->noteCallBackIsGone();
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| 164 |   boost::any_cast<ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t> *>(ObservedValues[leftAtomElement])->noteCallBackIsGone();
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| 165 |   boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[leftAtomPosition])->noteCallBackIsGone();
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| 166 |   boost::any_cast<ObservedValue_wCallback<atomId_t, ObservedValue_Index_t> *>(ObservedValues[rightAtomIndex])->noteCallBackIsGone();
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| 167 |   boost::any_cast<ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t> *>(ObservedValues[rightAtomElement])->noteCallBackIsGone();
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| 168 |   boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[rightAtomPosition])->noteCallBackIsGone();
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| 169 |   boost::any_cast<ObservedValue_wCallback<moleculeId_t, ObservedValue_Index_t> *>(ObservedValues[moleculeIndex])->noteCallBackIsGone();
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| 170 | 
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| 171 |   deactivateObserver();
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| 172 | 
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| 173 |   destroyObservedValues(ObservedValues);
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| 174 | }
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| 175 | 
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| 176 | #ifdef HAVE_INLINE
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| 177 | inline
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| 178 | #endif
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| 179 | int QtObservedBond::updateDegree(const bond &_bond)
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| 180 | {
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| 181 |   return _bond.getDegree();
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| 182 | }
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| 183 | 
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| 184 | #ifdef HAVE_INLINE
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| 185 | inline
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| 186 | #endif
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| 187 | atomId_t QtObservedBond::updateLeftAtomIndex(const atom &_atom)
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| 188 | {
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| 189 |   return _atom.getId();
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| 190 | }
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| 191 | 
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| 192 | #ifdef HAVE_INLINE
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| 193 | inline
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| 194 | #endif
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| 195 | atomicNumber_t QtObservedBond::updateLeftAtomElement(const atom &_atom)
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| 196 | {
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| 197 |   return _atom.getElementNo();
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| 198 | }
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| 199 | 
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| 200 | #ifdef HAVE_INLINE
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| 201 | inline
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| 202 | #endif
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| 203 | Vector QtObservedBond::updateLeftAtomPosition(const atom &_atom)
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| 204 | {
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| 205 |   return _atom.getPosition();
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| 206 | }
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| 207 | 
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| 208 | #ifdef HAVE_INLINE
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| 209 | inline
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| 210 | #endif
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| 211 | atomId_t QtObservedBond::updateRightAtomIndex(const atom &_atom)
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| 212 | {
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| 213 |   return _atom.getId();
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| 214 | }
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| 215 | 
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| 216 | #ifdef HAVE_INLINE
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| 217 | inline
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| 218 | #endif
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| 219 | atomicNumber_t QtObservedBond::updateRightAtomElement(const atom &_atom)
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| 220 | {
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| 221 |   return _atom.getElementNo();
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| 222 | }
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| 223 | 
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| 224 | #ifdef HAVE_INLINE
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| 225 | inline
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| 226 | #endif
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| 227 | Vector QtObservedBond::updateRightAtomPosition(const atom &_atom)
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| 228 | {
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| 229 |   return _atom.getPosition();
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| 230 | }
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| 231 | 
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| 232 | #ifdef HAVE_INLINE
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| 233 | inline
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| 234 | #endif
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| 235 | moleculeId_t QtObservedBond::updateMoleculeIndex(const molecule &_mol)
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| 236 | {
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| 237 |   return _mol.getId();
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| 238 | }
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| 239 | 
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| 240 | void QtObservedBond::update(Observable *publisher)
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| 241 | {
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| 242 |   ASSERT(0, "QtObservedBond::update() - we are not signed on for global updates.");
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| 243 | }
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| 244 | 
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| 245 | void QtObservedBond::subjectKilled(Observable *publisher)
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| 246 | {
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| 247 |   ++(signedOffChannels[publisher]);
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| 248 | 
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| 249 |   checkForRemoval(getIndex());
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| 250 | }
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| 251 | 
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| 252 | void QtObservedBond::countValuesSubjectKilled(
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| 253 |     ObservedValue_Index_t _id,
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| 254 |     unsigned int &_counter)
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| 255 | {
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| 256 |   ASSERT( _id == getIndex(),
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| 257 |       "QtObservedBond::countValuesSubjectKilled() - bond "+toString(getIndex())
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| 258 |       +" received countValuesSubjectKilled for bond id "+toString(_id)+".");
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| 259 | 
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| 260 |   ++_counter;
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| 261 | 
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| 262 |   checkForRemoval(_id);
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| 263 | }
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| 264 | 
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| 265 | void QtObservedBond::checkForRemoval(ObservedValue_Index_t _id)
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| 266 | {
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| 267 |   if (leftatomowner != NULL) {
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| 268 |     // left atom gone?
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| 269 |     const ObservableCount_t::const_iterator subjectkilledleftiter =
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| 270 |         subjectKilledCount.find(const_cast<Observable *>(leftatomowner));
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| 271 |     ASSERT( (subjectkilledleftiter != subjectKilledCount.end()),
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| 272 |         "QtObservedBond::checkForRemoval() - leftatomowner not present in subjectKilledCount.");
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| 273 |     if (subjectkilledleftiter->second == 3) {
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| 274 |       leftatomowner = NULL;
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| 275 |     }
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| 276 |   }
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| 277 | 
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| 278 |   if (rightatomowner != NULL) {
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| 279 |     // right atom gone?
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| 280 |     const ObservableCount_t::const_iterator subjectkilledrightiter =
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| 281 |         subjectKilledCount.find(const_cast<Observable *>(rightatomowner));
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| 282 |     ASSERT( (subjectkilledrightiter != subjectKilledCount.end()),
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| 283 |         "QtObservedBond::checkForRemoval() - rightatomowner not present in subjectKilledCount.");
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| 284 |     if (subjectkilledrightiter->second == 3) {
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| 285 |       rightatomowner = NULL;
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| 286 |     }
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| 287 |   }
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| 288 | 
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| 289 |   if (moleculeowner != NULL) {
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| 290 |     // molecule gone?
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| 291 |     const ObservableCount_t::const_iterator subjectkilledmoliter =
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| 292 |         subjectKilledCount.find(const_cast<Observable *>(moleculeowner));
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| 293 |     ASSERT( (subjectkilledmoliter != subjectKilledCount.end()),
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| 294 |         "QtObservedBond::checkForRemoval() - moleculeowner not present in subjectKilledCount.");
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| 295 |     if (subjectkilledmoliter->second == 3) {
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| 296 |       moleculeowner = NULL;
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| 297 |     }
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| 298 |   }
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| 299 | 
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| 300 |   if (bondowner != NULL) {
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| 301 |     // only bond needs to be destroyed to signal removal
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| 302 |     const ObservableCount_t::const_iterator subjectkillediter =
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| 303 |         subjectKilledCount.find(const_cast<Observable *>(bondowner));
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| 304 |     const ObservableCount_t::const_iterator allsignediter =
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| 305 |         AllsignedOnChannels.find(const_cast<Observable *>(bondowner));
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| 306 |     const ObservableCount_t::const_iterator signedoffiter =
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| 307 |         signedOffChannels.find(const_cast<Observable *>(bondowner));
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| 308 |     ASSERT( (subjectkillediter != subjectKilledCount.end())
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| 309 |         && (allsignediter != AllsignedOnChannels.end())
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| 310 |         && (signedoffiter != signedOffChannels.end()),
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| 311 |         "QtObservedBond::checkForRemoval() - something is wrong here.");
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| 312 |     if ((signedoffiter->second == allsignediter->second)
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| 313 |         && (subjectkillediter->second == allsignediter->second)) {
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| 314 |       // remove owner: no more signOff needed
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| 315 |       bondowner = NULL;
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| 316 | 
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| 317 |       emit bondRemoved();
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| 318 | 
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| 319 |       if (!BoardIsGone) {
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| 320 |         board.markObservedBondAsDisconnected(_id);
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| 321 |         board.markObservedBondForErase(_id);
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| 322 |       }
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| 323 |     }
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| 324 |   }
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| 325 | }
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| 326 | 
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| 327 | void QtObservedBond::recieveNotification(Observable *publisher, Notification_ptr notification)
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| 328 | {
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| 329 |   // ObservedValues have been updated before, hence convert updates to Qt's signals
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| 330 |   if (publisher == leftatomowner) {
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| 331 |     switch (notification->getChannelNo()) {
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| 332 |       case AtomObservable::IndexChanged:
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| 333 |       {
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| 334 |         const atomId_t newId = getLeftAtomIndex();
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| 335 |         emit leftAtomIndexChanged(oldleftatomId, newId);
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| 336 |         oldleftatomId = newId;
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| 337 |         break;
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| 338 |       }
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| 339 |       case AtomObservable::ElementChanged:
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| 340 |       {
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| 341 |         emit leftAtomElementChanged();
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| 342 |         break;
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| 343 |       }
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| 344 |       case AtomObservable::PositionChanged:
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| 345 |       {
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| 346 |         emit leftAtomPositionChanged();
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| 347 |         break;
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| 348 |       }
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| 349 |       default:
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| 350 |         ASSERT(0, "QtObservedBond::recieveNotification() - we are not signed on to channel "
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| 351 |             +toString(notification->getChannelNo())+" of the left atom "
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| 352 |             +toString(getLeftAtomIndex())+".");
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| 353 |         break;
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| 354 |     }
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| 355 |   } else if (publisher == rightatomowner) {
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| 356 |     switch (notification->getChannelNo()) {
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| 357 |       case AtomObservable::IndexChanged:
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| 358 |       {
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| 359 |         const atomId_t newId = getRightAtomIndex();
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| 360 |         emit rightAtomIndexChanged(oldrightatomId, newId);
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| 361 |         oldrightatomId = newId;
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| 362 |         break;
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| 363 |       }
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| 364 |       case AtomObservable::ElementChanged:
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| 365 |       {
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| 366 |         emit rightAtomElementChanged();
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| 367 |         break;
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| 368 |       }
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| 369 |       case AtomObservable::PositionChanged:
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| 370 |       {
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| 371 |         emit rightAtomPositionChanged();
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| 372 |         break;
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| 373 |       }
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| 374 |       default:
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| 375 |         ASSERT(0, "QtObservedBond::recieveNotification() - we are not signed on to channel "
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| 376 |             +toString(notification->getChannelNo())+" of the right atom "
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| 377 |             +toString(getRightAtomIndex())+".");
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| 378 |         break;
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| 379 |     }
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| 380 |   } else if (publisher == bondowner) {
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| 381 |     switch (notification->getChannelNo()) {
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| 382 |       case BondObservable::DegreeChanged:
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| 383 |         emit degreeChanged();
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| 384 |         break;
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| 385 |       default:
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| 386 |         ASSERT(0, "QtObservedBond::recieveNotification() - we are not signed on to channel "
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| 387 |             +toString(notification->getChannelNo())+" of the bond "
 | 
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| 388 |             +toString(getBondIndex())+".");
 | 
|---|
| 389 |         break;
 | 
|---|
| 390 |     }
 | 
|---|
| 391 |   } else if (publisher == moleculeowner) {
 | 
|---|
| 392 |     switch (notification->getChannelNo()) {
 | 
|---|
| 393 |       case molecule::IndexChanged:
 | 
|---|
| 394 |       {
 | 
|---|
| 395 |         const moleculeId_t newId = getMoleculeIndex();
 | 
|---|
| 396 |         emit moleculeIndexChanged(oldmoleculeId, newId);
 | 
|---|
| 397 |         oldmoleculeId = newId;
 | 
|---|
| 398 |         break;
 | 
|---|
| 399 |       }
 | 
|---|
| 400 |       default:
 | 
|---|
| 401 |         ASSERT(0, "QtObservedBond::recieveNotification() - we are not signed on to channel "
 | 
|---|
| 402 |             +toString(notification->getChannelNo())+" of the molecule #"
 | 
|---|
| 403 |             +toString(getMoleculeIndex())+".");
 | 
|---|
| 404 |         break;
 | 
|---|
| 405 |     }
 | 
|---|
| 406 |   } else
 | 
|---|
| 407 |     ASSERT(0,
 | 
|---|
| 408 |         "QtObservedBond::recieveNotification() - received signal from unknown source.");
 | 
|---|
| 409 | }
 | 
|---|
| 410 | 
 | 
|---|
| 411 | static QtObservedBond::ObservableCount_t::mapped_type getObservableCountValue(
 | 
|---|
| 412 |     const QtObservedBond::ObservableCount_t &_map,
 | 
|---|
| 413 |     const Observable *_obs)
 | 
|---|
| 414 | {
 | 
|---|
| 415 |   Observable * const obs_const = const_cast<Observable * const>(_obs);
 | 
|---|
| 416 |   QtObservedBond::ObservableCount_t::const_iterator iter = _map.find(obs_const);
 | 
|---|
| 417 |   ASSERT( iter != _map.end(),
 | 
|---|
| 418 |       "getObservableCount_tValue");
 | 
|---|
| 419 |   return iter->second;
 | 
|---|
| 420 | }
 | 
|---|
| 421 | 
 | 
|---|
| 422 | static void assignObservableCountValue(
 | 
|---|
| 423 |     QtObservedBond::ObservableCount_t &_map,
 | 
|---|
| 424 |     const Observable *_obs,
 | 
|---|
| 425 |     const QtObservedBond::ObservableCount_t::mapped_type &_value)
 | 
|---|
| 426 | {
 | 
|---|
| 427 |   Observable * const obs_const = const_cast<Observable * const>(_obs);
 | 
|---|
| 428 |   QtObservedBond::ObservableCount_t::iterator iter = _map.find(obs_const);
 | 
|---|
| 429 |   ASSERT( iter != _map.end(),
 | 
|---|
| 430 |       "getObservableCount_tValue");
 | 
|---|
| 431 |   iter->second = _value;
 | 
|---|
| 432 | }
 | 
|---|
| 433 | 
 | 
|---|
| 434 | void QtObservedBond::activateObserver()
 | 
|---|
| 435 | {
 | 
|---|
| 436 |   signedOffChannels.clear();
 | 
|---|
| 437 |   subjectKilledCount.clear();
 | 
|---|
| 438 | 
 | 
|---|
| 439 |   const atom * rightatom = getAtom(getRightAtomIndex());
 | 
|---|
| 440 |   {
 | 
|---|
| 441 |     const Observable::channels_t channels = getAllObservedAtomChannels();
 | 
|---|
| 442 |     if (rightatom != NULL) {
 | 
|---|
| 443 |       rightatomowner = static_cast<const Observable *>(rightatom);
 | 
|---|
| 444 |       for (Observable::channels_t::const_iterator iter = channels.begin();
 | 
|---|
| 445 |           iter != channels.end(); ++iter)
 | 
|---|
| 446 |         rightatomowner->signOn(this, *iter);
 | 
|---|
| 447 |       subjectKilledCount.insert( std::make_pair(const_cast<Observable * const>(rightatomowner), 0));
 | 
|---|
| 448 |       signedOffChannels.insert( std::make_pair(const_cast<Observable * const>(rightatomowner), 0));
 | 
|---|
| 449 |     } else {
 | 
|---|
| 450 |       subjectKilledCount.insert( std::make_pair(const_cast<Observable * const>(rightatomowner), channels.size()));
 | 
|---|
| 451 |       assignObservableCountValue(signedOffChannels, rightatomowner,
 | 
|---|
| 452 |           getObservableCountValue(AllsignedOnChannels, rightatomowner));
 | 
|---|
| 453 |     }
 | 
|---|
| 454 |   }
 | 
|---|
| 455 | 
 | 
|---|
| 456 |   {
 | 
|---|
| 457 |     const atom * leftatom = getAtom(getLeftAtomIndex());
 | 
|---|
| 458 |     const Observable::channels_t channels = getAllObservedAtomChannels();
 | 
|---|
| 459 |     if (leftatom != NULL) {
 | 
|---|
| 460 |       leftatomowner = static_cast<const Observable *>(leftatom);
 | 
|---|
| 461 |       for (Observable::channels_t::const_iterator iter = channels.begin();
 | 
|---|
| 462 |           iter != channels.end(); ++iter)
 | 
|---|
| 463 |         leftatomowner->signOn(this, *iter);
 | 
|---|
| 464 |       subjectKilledCount.insert( std::make_pair(const_cast<Observable * const>(leftatomowner), 0));
 | 
|---|
| 465 |       signedOffChannels.insert( std::make_pair(const_cast<Observable * const>(leftatomowner), 0));
 | 
|---|
| 466 | 
 | 
|---|
| 467 |       bond::ptr bondref = leftatom->getBond(rightatom);
 | 
|---|
| 468 |       if (bondref != NULL) {
 | 
|---|
| 469 |         // bond
 | 
|---|
| 470 |         {
 | 
|---|
| 471 |           bondowner = static_cast<const Observable *>(bondref.get());
 | 
|---|
| 472 |           bondowner->signOn(this, BondObservable::DegreeChanged);
 | 
|---|
| 473 |           subjectKilledCount.insert( std::make_pair(const_cast<Observable * const>(bondowner), 0));
 | 
|---|
| 474 |           signedOffChannels.insert( std::make_pair(const_cast<Observable * const>(bondowner), 0));
 | 
|---|
| 475 |         }
 | 
|---|
| 476 | 
 | 
|---|
| 477 |         const molecule * mol = leftatom->getMolecule();
 | 
|---|
| 478 |         if (mol != NULL) {
 | 
|---|
| 479 |           // molecule
 | 
|---|
| 480 |           moleculeowner = static_cast<const Observable *>(mol);
 | 
|---|
| 481 |           moleculeowner->signOn(this, molecule::IndexChanged);
 | 
|---|
| 482 |           subjectKilledCount.insert( std::make_pair(const_cast<Observable * const>(moleculeowner), 0));
 | 
|---|
| 483 |           signedOffChannels.insert( std::make_pair(const_cast<Observable * const>(moleculeowner), 0));
 | 
|---|
| 484 |         } else {
 | 
|---|
| 485 |           subjectKilledCount.insert( std::make_pair(const_cast<Observable * const>(moleculeowner), 1));
 | 
|---|
| 486 |           assignObservableCountValue(signedOffChannels, moleculeowner,
 | 
|---|
| 487 |               getObservableCountValue(AllsignedOnChannels, moleculeowner));
 | 
|---|
| 488 |         }
 | 
|---|
| 489 | 
 | 
|---|
| 490 |         // and mark as connected
 | 
|---|
| 491 |         if (!BoardIsGone)
 | 
|---|
| 492 |           board.markObservedBondAsConnected(getIndex());
 | 
|---|
| 493 |       } else {
 | 
|---|
| 494 |         subjectKilledCount.insert( std::make_pair(const_cast<Observable * const>(bondowner), 1));
 | 
|---|
| 495 |         assignObservableCountValue(signedOffChannels, bondowner,
 | 
|---|
| 496 |             getObservableCountValue(AllsignedOnChannels, bondowner));
 | 
|---|
| 497 |       }
 | 
|---|
| 498 |     } else {
 | 
|---|
| 499 |       subjectKilledCount.insert( std::make_pair(const_cast<Observable * const>(leftatomowner), channels.size()));
 | 
|---|
| 500 |       assignObservableCountValue(signedOffChannels, leftatomowner,
 | 
|---|
| 501 |           getObservableCountValue(AllsignedOnChannels, leftatomowner));
 | 
|---|
| 502 |     }
 | 
|---|
| 503 |   }
 | 
|---|
| 504 | }
 | 
|---|
| 505 | 
 | 
|---|
| 506 | void QtObservedBond::deactivateObserver()
 | 
|---|
| 507 | {
 | 
|---|
| 508 |   // sign Off
 | 
|---|
| 509 |   if (leftatomowner != NULL) {
 | 
|---|
| 510 |     const ObservableCount_t::iterator subjectkilledleftiter =
 | 
|---|
| 511 |         subjectKilledCount.find(const_cast<Observable *>(leftatomowner));
 | 
|---|
| 512 |     ASSERT( (subjectkilledleftiter != subjectKilledCount.end()),
 | 
|---|
| 513 |         "QtObservedBond::deactivateObserver() - no entry in subjectKilledCount for left atom "
 | 
|---|
| 514 |         +toString(leftatomowner)+", has activateObserver() been called?");
 | 
|---|
| 515 |     ASSERT( (subjectkilledleftiter->second == 3) || (subjectkilledleftiter->second == 0),
 | 
|---|
| 516 |         "QtObservedBond::deactivateObserver() - cannot deal with partially signed off left atom.");
 | 
|---|
| 517 |     if (subjectkilledleftiter->second == 0) {
 | 
|---|
| 518 |       Observable::channels_t channels = getAllObservedAtomChannels();
 | 
|---|
| 519 |       for (Observable::channels_t::const_iterator iter = channels.begin();
 | 
|---|
| 520 |           iter != channels.end(); ++iter)
 | 
|---|
| 521 |         leftatomowner->signOff(this, *iter);
 | 
|---|
| 522 |       subjectkilledleftiter->second = 3;
 | 
|---|
| 523 |     }
 | 
|---|
| 524 |     leftatomowner = NULL;
 | 
|---|
| 525 |   }
 | 
|---|
| 526 |   if (rightatomowner != NULL) {
 | 
|---|
| 527 |     const ObservableCount_t::iterator subjectkilledrightiter =
 | 
|---|
| 528 |         subjectKilledCount.find(const_cast<Observable *>(rightatomowner));
 | 
|---|
| 529 |     ASSERT( (subjectkilledrightiter != subjectKilledCount.end()),
 | 
|---|
| 530 |         "QtObservedBond::deactivateObserver() - no entry in subjectKilledCount for right atom"
 | 
|---|
| 531 |         +toString(rightatomowner)+", has activateObserver() been called?");
 | 
|---|
| 532 |     ASSERT( (subjectkilledrightiter->second == 3) || (subjectkilledrightiter->second == 0),
 | 
|---|
| 533 |         "QtObservedBond::deactivateObserver() - cannot deal with partially signed off right atom .");
 | 
|---|
| 534 |     if (subjectkilledrightiter->second == 0) {
 | 
|---|
| 535 |       Observable::channels_t channels = getAllObservedAtomChannels();
 | 
|---|
| 536 |       for (Observable::channels_t::const_iterator iter = channels.begin();
 | 
|---|
| 537 |           iter != channels.end(); ++iter)
 | 
|---|
| 538 |         rightatomowner->signOff(this, *iter);
 | 
|---|
| 539 |       subjectkilledrightiter->second = 3;
 | 
|---|
| 540 |     }
 | 
|---|
| 541 |     rightatomowner = NULL;
 | 
|---|
| 542 |   }
 | 
|---|
| 543 |   if (moleculeowner != NULL) {
 | 
|---|
| 544 |     const ObservableCount_t::iterator subjectkilledmoliter =
 | 
|---|
| 545 |         subjectKilledCount.find(const_cast<Observable *>(moleculeowner));
 | 
|---|
| 546 |     ASSERT( (subjectkilledmoliter != subjectKilledCount.end()),
 | 
|---|
| 547 |         "QtObservedBond::deactivateObserver() - no entry in subjectKilledCount for molecule"
 | 
|---|
| 548 |         +toString(moleculeowner)+", has activateObserver() been called?");
 | 
|---|
| 549 |     if (subjectkilledmoliter->second == 0)
 | 
|---|
| 550 |       moleculeowner->signOff(this, molecule::IndexChanged);
 | 
|---|
| 551 |     subjectkilledmoliter->second = 1;
 | 
|---|
| 552 |     moleculeowner = NULL;
 | 
|---|
| 553 |   }
 | 
|---|
| 554 |   if (bondowner != NULL) {
 | 
|---|
| 555 |     const ObservableCount_t::iterator subjectkilledbonditer =
 | 
|---|
| 556 |         subjectKilledCount.find(const_cast<Observable *>(bondowner));
 | 
|---|
| 557 |     ASSERT( (subjectkilledbonditer != subjectKilledCount.end()),
 | 
|---|
| 558 |         "QtObservedBond::deactivateObserver() - no entry in subjectKilledCount for bond"
 | 
|---|
| 559 |         +toString(bondowner)+","
 | 
|---|
| 560 |         +" has activateObserver() been called?");
 | 
|---|
| 561 |     if (subjectkilledbonditer->second == 0)
 | 
|---|
| 562 |       bondowner->signOff(this, BondObservable::DegreeChanged);
 | 
|---|
| 563 |     subjectkilledbonditer->second = 1;
 | 
|---|
| 564 |     bondowner = NULL;
 | 
|---|
| 565 |     signedOffChannels.clear();
 | 
|---|
| 566 |     signedOffChannels.insert(AllsignedOnChannels.begin(), AllsignedOnChannels.end());
 | 
|---|
| 567 | 
 | 
|---|
| 568 |     if (!BoardIsGone)
 | 
|---|
| 569 |       board.markObservedBondAsDisconnected(getIndex());
 | 
|---|
| 570 |   }
 | 
|---|
| 571 | }
 | 
|---|
| 572 | 
 | 
|---|
| 573 | const atom * const QtObservedBond::getAtomConst(const atomId_t _id)
 | 
|---|
| 574 | {
 | 
|---|
| 575 |   const atom * const _atom = const_cast<const World &>(World::getInstance()).
 | 
|---|
| 576 |       getAtom(AtomById(_id));
 | 
|---|
| 577 |   return _atom;
 | 
|---|
| 578 | }
 | 
|---|
| 579 | 
 | 
|---|
| 580 | atom * const QtObservedBond::getAtom(const atomId_t _id)
 | 
|---|
| 581 | {
 | 
|---|
| 582 |   atom * const _atom = World::getInstance().getAtom(AtomById(_id));
 | 
|---|
| 583 |   return _atom;
 | 
|---|
| 584 | }
 | 
|---|
| 585 | 
 | 
|---|
| 586 | void QtObservedBond::initObservedValues(
 | 
|---|
| 587 |     ObservedValues_t &_ObservedValues,
 | 
|---|
| 588 |     const bondId_t _id,
 | 
|---|
| 589 |     const bond::ptr _bondref,
 | 
|---|
| 590 |     const boost::function<void(const ObservedValue_Index_t)> &_bondsubjectKilled,
 | 
|---|
| 591 |     const boost::function<void(const ObservedValue_Index_t)> &_leftatomsubjectKilled,
 | 
|---|
| 592 |     const boost::function<void(const ObservedValue_Index_t)> &_rightatomsubjectKilled,
 | 
|---|
| 593 |     const boost::function<void(const ObservedValue_Index_t)> &_moleculesubjectKilled)
 | 
|---|
| 594 | {
 | 
|---|
| 595 |   // fill ObservedValues: index first
 | 
|---|
| 596 |   const boost::function<ObservedValue_Index_t ()> BondIndexGetter =
 | 
|---|
| 597 |       boost::bind(&QtObservedBond::getIndex,
 | 
|---|
| 598 |           boost::cref(*this));
 | 
|---|
| 599 | 
 | 
|---|
| 600 |   // fill ObservedValues: then all the other that need index
 | 
|---|
| 601 |   const boost::function<int ()> BondDegreeUpdater(
 | 
|---|
| 602 |       boost::bind(&QtObservedBond::updateDegree, boost::cref(*_bondref)));
 | 
|---|
| 603 |   const boost::function<atomId_t ()> leftAtomIndexUpdater(
 | 
|---|
| 604 |       boost::bind(&QtObservedBond::updateLeftAtomIndex, boost::cref(*_bondref->leftatom)));
 | 
|---|
| 605 |   const boost::function<atomicNumber_t ()> leftAtomElementUpdater(
 | 
|---|
| 606 |       boost::bind(&QtObservedBond::updateLeftAtomElement, boost::cref(*_bondref->leftatom)));
 | 
|---|
| 607 |   const boost::function<Vector ()> leftAtomPositionUpdater(
 | 
|---|
| 608 |       boost::bind(&QtObservedBond::updateLeftAtomPosition, boost::cref(*_bondref->leftatom)));
 | 
|---|
| 609 |   const boost::function<atomId_t ()> rightAtomIndexUpdater(
 | 
|---|
| 610 |       boost::bind(&QtObservedBond::updateRightAtomIndex, boost::cref(*_bondref->rightatom)));
 | 
|---|
| 611 |   const boost::function<atomicNumber_t ()> rightAtomElementUpdater(
 | 
|---|
| 612 |       boost::bind(&QtObservedBond::updateRightAtomElement, boost::cref(*_bondref->rightatom)));
 | 
|---|
| 613 |   const boost::function<Vector ()> rightAtomPositionUpdater(
 | 
|---|
| 614 |       boost::bind(&QtObservedBond::updateRightAtomPosition, boost::cref(*_bondref->rightatom)));
 | 
|---|
| 615 |   const boost::function<moleculeId_t ()> MoleculeIndexUpdater(
 | 
|---|
| 616 |       boost::bind(&QtObservedBond::updateMoleculeIndex, boost::cref(*_bondref->leftatom->getMolecule())));
 | 
|---|
| 617 | 
 | 
|---|
| 618 |   _ObservedValues[BondDegree] = new ObservedValue_wCallback<int, ObservedValue_Index_t>(
 | 
|---|
| 619 |       _bondref.get(),
 | 
|---|
| 620 |       BondDegreeUpdater,
 | 
|---|
| 621 |       "BondDegree_bond"+toString(_id),
 | 
|---|
| 622 |       BondDegreeUpdater(),
 | 
|---|
| 623 |       BondDegreeChannels,
 | 
|---|
| 624 |       _bondsubjectKilled,
 | 
|---|
| 625 |       BondIndexGetter);
 | 
|---|
| 626 |   _ObservedValues[leftAtomIndex] = new ObservedValue_wCallback<atomId_t, ObservedValue_Index_t>(
 | 
|---|
| 627 |       _bondref->leftatom,
 | 
|---|
| 628 |       leftAtomIndexUpdater,
 | 
|---|
| 629 |       "LeftAtomIndex_bond"+toString(_id),
 | 
|---|
| 630 |       leftAtomIndexUpdater(),
 | 
|---|
| 631 |       Observable::channels_t(1, AtomObservable::IndexChanged),
 | 
|---|
| 632 |       _leftatomsubjectKilled,
 | 
|---|
| 633 |       BondIndexGetter);
 | 
|---|
| 634 |   _ObservedValues[leftAtomElement] = new ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t>(
 | 
|---|
| 635 |       _bondref->leftatom,
 | 
|---|
| 636 |       leftAtomElementUpdater,
 | 
|---|
| 637 |       "LeftAtomElement_bond"+toString(_id),
 | 
|---|
| 638 |       leftAtomElementUpdater(),
 | 
|---|
| 639 |       Observable::channels_t(1, AtomObservable::ElementChanged),
 | 
|---|
| 640 |       _leftatomsubjectKilled,
 | 
|---|
| 641 |       BondIndexGetter);
 | 
|---|
| 642 |   _ObservedValues[leftAtomPosition] = new ObservedValue_wCallback<Vector, ObservedValue_Index_t>(
 | 
|---|
| 643 |       _bondref->leftatom,
 | 
|---|
| 644 |       leftAtomPositionUpdater,
 | 
|---|
| 645 |       "LeftAtomPosition_bond"+toString(_id),
 | 
|---|
| 646 |       leftAtomPositionUpdater(),
 | 
|---|
| 647 |       Observable::channels_t(1, AtomObservable::PositionChanged),
 | 
|---|
| 648 |       _leftatomsubjectKilled,
 | 
|---|
| 649 |       BondIndexGetter);
 | 
|---|
| 650 |   _ObservedValues[rightAtomIndex] = new ObservedValue_wCallback<atomId_t, ObservedValue_Index_t>(
 | 
|---|
| 651 |       _bondref->rightatom,
 | 
|---|
| 652 |       rightAtomIndexUpdater,
 | 
|---|
| 653 |       "RightAtomIndex_bond"+toString(_id),
 | 
|---|
| 654 |       rightAtomIndexUpdater(),
 | 
|---|
| 655 |       Observable::channels_t(1, AtomObservable::IndexChanged),
 | 
|---|
| 656 |       _rightatomsubjectKilled,
 | 
|---|
| 657 |       BondIndexGetter);
 | 
|---|
| 658 |   _ObservedValues[rightAtomElement] = new ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t>(
 | 
|---|
| 659 |       _bondref->rightatom,
 | 
|---|
| 660 |       rightAtomElementUpdater,
 | 
|---|
| 661 |       "RightAtomElement_bond"+toString(_id),
 | 
|---|
| 662 |       rightAtomElementUpdater(),
 | 
|---|
| 663 |       Observable::channels_t(1, AtomObservable::ElementChanged),
 | 
|---|
| 664 |       _rightatomsubjectKilled,
 | 
|---|
| 665 |       BondIndexGetter);
 | 
|---|
| 666 |   _ObservedValues[rightAtomPosition] = new ObservedValue_wCallback<Vector, ObservedValue_Index_t>(
 | 
|---|
| 667 |       _bondref->rightatom,
 | 
|---|
| 668 |       rightAtomPositionUpdater,
 | 
|---|
| 669 |       "RightAtomPosition_bond"+toString(_id),
 | 
|---|
| 670 |       rightAtomPositionUpdater(),
 | 
|---|
| 671 |       Observable::channels_t(1, AtomObservable::PositionChanged),
 | 
|---|
| 672 |       _rightatomsubjectKilled,
 | 
|---|
| 673 |       BondIndexGetter);
 | 
|---|
| 674 |   _ObservedValues[moleculeIndex] = new ObservedValue_wCallback<moleculeId_t, ObservedValue_Index_t>(
 | 
|---|
| 675 |       _bondref->leftatom->getMolecule(),
 | 
|---|
| 676 |       MoleculeIndexUpdater,
 | 
|---|
| 677 |       "MoleculeIndex_bond"+toString(_id),
 | 
|---|
| 678 |       MoleculeIndexUpdater(),
 | 
|---|
| 679 |       Observable::channels_t(1, AtomObservable::PositionChanged),
 | 
|---|
| 680 |       _moleculesubjectKilled,
 | 
|---|
| 681 |       BondIndexGetter);
 | 
|---|
| 682 | }
 | 
|---|
| 683 | 
 | 
|---|
| 684 | void QtObservedBond::destroyObservedValues(
 | 
|---|
| 685 |     std::vector<boost::any> &_ObservedValues)
 | 
|---|
| 686 | {
 | 
|---|
| 687 |   delete boost::any_cast<ObservedValue_wCallback<int, ObservedValue_Index_t> *>(_ObservedValues[BondDegree]);
 | 
|---|
| 688 |   delete boost::any_cast<ObservedValue_wCallback<atomId_t, ObservedValue_Index_t> *>(_ObservedValues[leftAtomIndex]);
 | 
|---|
| 689 |   delete boost::any_cast<ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t> *>(_ObservedValues[leftAtomElement]);
 | 
|---|
| 690 |   delete boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(_ObservedValues[leftAtomPosition]);
 | 
|---|
| 691 |   delete boost::any_cast<ObservedValue_wCallback<atomId_t, ObservedValue_Index_t> *>(_ObservedValues[rightAtomIndex]);
 | 
|---|
| 692 |   delete boost::any_cast<ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t> *>(_ObservedValues[rightAtomElement]);
 | 
|---|
| 693 |   delete boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(_ObservedValues[rightAtomPosition]);
 | 
|---|
| 694 |   delete boost::any_cast<ObservedValue_wCallback<moleculeId_t, ObservedValue_Index_t> *>(_ObservedValues[moleculeIndex]);
 | 
|---|
| 695 |   _ObservedValues.clear();
 | 
|---|
| 696 | }
 | 
|---|
| 697 | 
 | 
|---|
| 698 | ObservedValue_Index_t QtObservedBond::getIndex() const
 | 
|---|
| 699 | {
 | 
|---|
| 700 |   ASSERT( bondowner != NULL,
 | 
|---|
| 701 |       "QtObservedBond::getIndex() - index is NULL");
 | 
|---|
| 702 |   return bondowner;
 | 
|---|
| 703 | }
 | 
|---|
| 704 | 
 | 
|---|
| 705 | const QtObservedBond::bondId_t QtObservedBond::getBondIndex() const
 | 
|---|
| 706 | {
 | 
|---|
| 707 |   return QtObservedBond::bondId_t(getLeftAtomIndex(), getRightAtomIndex());
 | 
|---|
| 708 | }
 | 
|---|
| 709 | 
 | 
|---|
| 710 | const int& QtObservedBond::getBondDegree() const
 | 
|---|
| 711 | {
 | 
|---|
| 712 |   return boost::any_cast<ObservedValue_wCallback<int, ObservedValue_Index_t> *>(ObservedValues[BondDegree])->get();
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| 713 | }
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| 714 | 
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| 715 | const atomId_t& QtObservedBond::getLeftAtomIndex() const
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| 716 | {
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|---|
| 717 |   return boost::any_cast<ObservedValue_wCallback<atomId_t, ObservedValue_Index_t> *>(ObservedValues[leftAtomIndex])->get();
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|---|
| 718 | }
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| 719 | 
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| 720 | const atomicNumber_t& QtObservedBond::getLeftAtomElement() const
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|---|
| 721 | {
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|---|
| 722 |   return boost::any_cast<ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t> *>(ObservedValues[leftAtomElement])->get();
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|---|
| 723 | }
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| 724 | 
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| 725 | const Vector& QtObservedBond::getLeftAtomPosition() const
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|---|
| 726 | {
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|---|
| 727 |   return boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[leftAtomPosition])->get();
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|---|
| 728 | }
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|---|
| 729 | 
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| 730 | const atomId_t& QtObservedBond::getRightAtomIndex() const
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|---|
| 731 | {
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|---|
| 732 |   return boost::any_cast<ObservedValue_wCallback<atomId_t, ObservedValue_Index_t> *>(ObservedValues[rightAtomIndex])->get();
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|---|
| 733 | }
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|---|
| 734 | 
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|---|
| 735 | const atomicNumber_t& QtObservedBond::getRightAtomElement() const
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|---|
| 736 | {
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|---|
| 737 |   return boost::any_cast<ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t> *>(ObservedValues[rightAtomElement])->get();
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|---|
| 738 | }
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|---|
| 739 | 
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|---|
| 740 | const Vector& QtObservedBond::getRightAtomPosition() const
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|---|
| 741 | {
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|---|
| 742 |   return boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[rightAtomPosition])->get();
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| 743 | }
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| 744 | 
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| 745 | const moleculeId_t& QtObservedBond::getMoleculeIndex() const
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|---|
| 746 | {
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|---|
| 747 |   return boost::any_cast<ObservedValue_wCallback<moleculeId_t, ObservedValue_Index_t> *>(ObservedValues[moleculeIndex])->get();
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|---|
| 748 | }
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|---|