| 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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| 38 | #include "UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp"
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| 39 |
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| 40 | #include "CodePatterns/MemDebug.hpp"
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| 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 | #include "UIElements/Qt4/InstanceBoard/ObservedValue_UpdateAtoms.hpp"
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| 49 |
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| 50 | #include "Atom/atom.hpp"
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| 51 | #include "Descriptors/MoleculeIdDescriptor.hpp"
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| 52 | #include "World.hpp"
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| 53 |
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| 54 | using namespace boost::assign;
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| 55 |
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| 56 | static const Observable::channels_t getAllObservedChannels()
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| 57 | {
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| 58 | Observable::channels_t channels;
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| 59 | channels +=
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| 60 | molecule::AtomInserted,
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| 61 | molecule::AtomMoved,
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| 62 | molecule::AtomRemoved,
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| 63 | molecule::FormulaChanged,
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| 64 | molecule::IndexChanged,
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| 65 | molecule::MoleculeNameChanged,
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| 66 | molecule::BoundingBoxChanged;
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| 67 | return channels;
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| 68 | }
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| 69 |
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| 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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| 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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| 89 | // static instances
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| 90 | const Observable::channels_t QtObservedMolecule::AtomCountChannels(getAllAtomCountChannels());
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| 91 | const Observable::channels_t QtObservedMolecule::BondCountChannels(getAllAtomCountChannels());
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| 92 | const Observable::channels_t QtObservedMolecule::BoundingBoxChannels(1, molecule::BoundingBoxChanged);
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| 93 | const Observable::channels_t QtObservedMolecule::FormulaStringChannels(1, molecule::FormulaChanged);
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| 94 | const Observable::channels_t QtObservedMolecule::CenterChannels(getAllCenterChannels());
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| 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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| 97 | const Observable::channels_t QtObservedMolecule::NonHydrogenCountChannels(1, molecule::FormulaChanged);
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| 98 |
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| 99 | QtObservedMolecule::QtObservedMolecule(
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| 100 | const ObservedValues_t &_ObservedValues,
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| 101 | QtObservedInstanceBoard &_board,
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| 102 | QWidget * _parent) :
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| 103 | QWidget(_parent),
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| 104 | Observer("QtObservedMolecule"),
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| 105 | subjectKilledCount(0),
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| 106 | AllsignedOnChannels(getAllObservedChannels().size()),
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| 107 | signedOffChannels(0),
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| 108 | owner(NULL),
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| 109 | board(_board),
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| 110 | ObservedValues(_ObservedValues)
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| 111 | {
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| 112 | // activating Observer is done by ObservedValueContainer when it's prepared
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| 113 | }
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| 114 |
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| 115 | QtObservedMolecule::~QtObservedMolecule()
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| 116 | {
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| 117 | deactivateObserver();
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| 118 | }
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| 119 |
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| 120 | void QtObservedMolecule::deactivateObserver()
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| 121 | {
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| 122 | if (owner != NULL) {
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| 123 | Observable::channels_t channels = getAllObservedChannels();
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| 124 | for (Observable::channels_t::const_iterator iter = channels.begin();
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| 125 | iter != channels.end(); ++iter)
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| 126 | owner->signOff(this, *iter);
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| 127 | owner = NULL;
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| 128 | signedOffChannels = AllsignedOnChannels;
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| 129 | board.markObservedMoleculeAsDisconnected(getMolIndex());
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| 130 | }
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| 131 | }
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| 132 |
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| 133 | void QtObservedMolecule::activateObserver()
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| 134 | {
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| 135 | // sign on as observer (obtain non-const instance before)
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| 136 | const molecule * const _molecule = getMolecule(getMolIndex());
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| 137 | if (_molecule != NULL) {
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| 138 | Observable::channels_t channels = getAllObservedChannels();
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| 139 | owner = static_cast<const Observable *>(_molecule);
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| 140 | for (Observable::channels_t::const_iterator iter = channels.begin();
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| 141 | iter != channels.end(); ++iter)
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| 142 | owner->signOn(this, *iter);
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| 143 | } else
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| 144 | signedOffChannels = AllsignedOnChannels;
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| 145 | }
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| 146 |
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| 147 | void QtObservedMolecule::update(Observable *publisher)
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| 148 | {
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| 149 | ASSERT(0,
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| 150 | "QtObservedMolecule::update() - general update from unexpected source.");
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| 151 | }
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| 152 |
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| 153 | void QtObservedMolecule::subjectKilled(Observable *publisher)
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| 154 | {
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| 155 | ++signedOffChannels;
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| 156 |
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| 157 | if (signedOffChannels == AllsignedOnChannels) {
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| 158 | // remove owner: no more signOff needed
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| 159 | owner = NULL;
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| 160 |
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| 161 | board.markObservedMoleculeAsDisconnected(getMolIndex());
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| 162 |
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| 163 | emit moleculeRemoved();
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| 164 | }
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| 165 | }
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| 166 |
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| 167 | void QtObservedMolecule::recieveNotification(Observable *publisher, Notification_ptr notification)
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| 168 | {
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| 169 | const molecule * const _molecule = getMolecule(getMolIndex());
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| 170 | // when molecule is NULL we will soon get destroyed anyway
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| 171 | if (_molecule == NULL)
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| 172 | return;
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| 173 | if (publisher == dynamic_cast<const Observable*>(_molecule)){
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| 174 | // notification from atom
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| 175 | #ifdef LOG_OBSERVER
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| 176 | observerLog().addMessage() << "++ Update of Observer "<< observerLog().getName(static_cast<Observer *>(this))
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| 177 | << " received notification from molecule " << getMolIndex() << " for channel "
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| 178 | << notification->getChannelNo() << ".";
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| 179 | #endif
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| 180 | switch (notification->getChannelNo()) {
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| 181 | case molecule::AtomInserted:
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| 182 | {
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| 183 | const atomId_t _id = _molecule->lastChangedAtomId();
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| 184 | emit atomcountChanged();
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| 185 | emit atomInserted(_id);
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| 186 | emit bondcountChanged();
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| 187 | emit boundingboxChanged();
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| 188 | emit centerChanged();
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| 189 | emit tesselationhullChanged();
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| 190 | break;
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| 191 | }
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| 192 | case molecule::AtomMoved:
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| 193 | {
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| 194 | emit boundingboxChanged();
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| 195 | emit centerChanged();
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| 196 | emit tesselationhullChanged();
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| 197 | break;
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| 198 | }
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| 199 | case molecule::AtomRemoved:
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| 200 | {
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| 201 | const atomId_t _id = _molecule->lastChangedAtomId();
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| 202 | emit atomcountChanged();
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| 203 | emit atomRemoved(_id);
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| 204 | emit bondcountChanged();
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| 205 | emit boundingboxChanged();
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| 206 | emit centerChanged();
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| 207 | emit tesselationhullChanged();
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| 208 | break;
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| 209 | }
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| 210 | case molecule::BoundingBoxChanged:
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| 211 | {
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| 212 | #ifdef LOG_OBSERVER
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| 213 | observerLog().addMessage() << "++ Observer " << observerLog().getName(static_cast<Observer *>(this)) << " received notification that bounding box has changed.";
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| 214 | #endif
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| 215 | emit tesselationhullChanged();
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| 216 | emit boundingboxChanged();
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| 217 | break;
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| 218 | }
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| 219 | case molecule::FormulaChanged:
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| 220 | {
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| 221 | emit formulaChanged();
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| 222 | emit nononhydrogenChanged();
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| 223 | break;
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| 224 | }
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| 225 | case molecule::IndexChanged:
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| 226 | {
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| 227 | #ifdef LOG_OBSERVER
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| 228 | const atomId_t _id = _molecule->lastChangedAtomId();
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| 229 | observerLog().addMessage() << "++ Observer " << observerLog().getName(static_cast<Observer *>(this)) << " received notification that atom "+toString(_id)+"'s index has changed.";
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| 230 | #endif
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| 231 | emit indexChanged();
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| 232 | break;
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| 233 | }
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| 234 | case molecule::MoleculeNameChanged:
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| 235 | {
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| 236 | #ifdef LOG_OBSERVER
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| 237 | observerLog().addMessage() << "++ Observer " << observerLog().getName(static_cast<Observer *>(this)) << " received notification that name has changed.";
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| 238 | #endif
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| 239 | emit nameChanged();
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| 240 | break;
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| 241 | }
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| 242 | default:
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| 243 | break;
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| 244 | }
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| 245 | }
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| 246 | }
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| 247 |
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| 248 | const molecule * const QtObservedMolecule::getMolecule(const moleculeId_t _id)
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| 249 | {
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| 250 | const molecule * const mol = const_cast<const World &>(World::getInstance()).
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| 251 | getMolecule(MoleculeById(_id));
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| 252 | return mol;
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| 253 | }
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| 254 |
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| 255 | static molecule::BoundingBoxInfo initBoundingBox()
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| 256 | {
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| 257 | molecule::BoundingBoxInfo info;
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| 258 | info.position = zeroVec;
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| 259 | info.radius = 0.;
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| 260 | return info;
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| 261 | }
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| 262 |
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| 263 | void QtObservedMolecule::initObservedValues(
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| 264 | ObservedValues_t &_ObservedValues,
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| 265 | const moleculeId_t _molid,
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| 266 | const molecule * const _molref,
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| 267 | const boost::function<void(const moleculeId_t)> &_subjectKilled)
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| 268 | {
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| 269 | /* This is an old note from when the code was still part of cstor's initializer body.
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| 270 | * TODO: Probably does not apply anymore but has not yet been tested.
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| 271 | *
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| 272 | * We must not use boost::cref(this) as "this" has not been properly constructed and seemingly
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| 273 | * boost::cref tries to do some magic to grasp the inheritance hierarchy which fails because
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| 274 | * the class has not been fully constructed yet. "This" itself seems to be working fine.
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| 275 | */
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| 276 |
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| 277 | ASSERT( _ObservedValues.size() == MAX_ObservedTypes,
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| 278 | "QtObservedMolecule::initObservedValues() - given ObservedValues has not correct size.");
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| 279 |
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| 280 | // fill ObservedValues: index first
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| 281 | const boost::function<moleculeId_t ()> MolIndexUpdater(
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| 282 | boost::bind(&QtObservedMolecule::updateIndex));
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| 283 |
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| 284 | ObservedValue_wCallback<moleculeId_t> * const IndexObservable =
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| 285 | new ObservedValue_wCallback<moleculeId_t>(
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| 286 | _molref,
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| 287 | MolIndexUpdater,
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| 288 | "MoleculeIndex_"+toString(_molid),
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| 289 | _molid,
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| 290 | IndexChannels,
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| 291 | _subjectKilled);
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| 292 | _ObservedValues[MolIndex] = IndexObservable;
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| 293 |
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| 294 | const boost::function<const moleculeId_t ()> MolIndexGetter =
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| 295 | boost::bind(&ObservedValue_wCallback<moleculeId_t>::get,
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| 296 | IndexObservable);
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| 297 |
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| 298 | // fill ObservedValues: then all the other that need index
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| 299 | const boost::function<int ()> AtomCountUpdater(
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| 300 | boost::bind(&QtObservedMolecule::updateAtomCount, MolIndexGetter));
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| 301 | const boost::function<int ()> BondCountUpdater(
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| 302 | boost::bind(&QtObservedMolecule::updateBondCount, MolIndexGetter));
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| 303 | const boost::function<Vector ()> MolCenterUpdater(
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| 304 | boost::bind(&QtObservedMolecule::updateCenter, MolIndexGetter));
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| 305 | const boost::function<std::string ()> MolFormulaUpdater(
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| 306 | boost::bind(&QtObservedMolecule::updateFormulaString, MolIndexGetter));
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| 307 | const boost::function<std::string ()> MolNameUpdater(
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| 308 | boost::bind(&QtObservedMolecule::updateName, MolIndexGetter));
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| 309 | const boost::function<int ()> NonHydrogenCountUpdater(
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| 310 | boost::bind(&QtObservedMolecule::updateNonHydrogenCount, MolIndexGetter));
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| 311 | const boost::function<molecule::BoundingBoxInfo ()> BoundingBoxUpdater(
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| 312 | boost::bind(&QtObservedMolecule::updateBoundingBox, MolIndexGetter));
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| 313 |
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| 314 | _ObservedValues[AtomCount] = new ObservedValue_wCallback<int, moleculeId_t>(
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| 315 | _molref,
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| 316 | AtomCountUpdater,
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| 317 | "MoleculeAtomCount_"+toString(_molid),
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| 318 | AtomCountUpdater(),
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| 319 | AtomCountChannels,
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| 320 | _subjectKilled,
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| 321 | MolIndexGetter);
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| 322 | _ObservedValues[BondCount] = new ObservedValue_wCallback<int, moleculeId_t>(
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| 323 | _molref,
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| 324 | BondCountUpdater,
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| 325 | "MoleculeBondCount_"+toString(_molid),
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| 326 | BondCountUpdater(),
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| 327 | BondCountChannels,
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| 328 | _subjectKilled,
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| 329 | MolIndexGetter);
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| 330 | _ObservedValues[BoundingBox] = new ObservedValue_wCallback<molecule::BoundingBoxInfo, moleculeId_t>(
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| 331 | _molref,
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| 332 | BoundingBoxUpdater,
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| 333 | "MoleculeBoundingBox_"+toString(_molid),
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| 334 | initBoundingBox(),
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| 335 | BoundingBoxChannels,
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| 336 | _subjectKilled,
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| 337 | MolIndexGetter);
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| 338 | _ObservedValues[FormulaString] = new ObservedValue_wCallback<std::string, moleculeId_t>(
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| 339 | _molref,
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| 340 | MolFormulaUpdater,
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| 341 | "MoleculeFormula_"+toString(_molid),
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| 342 | MolFormulaUpdater(),
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| 343 | FormulaStringChannels,
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| 344 | _subjectKilled,
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| 345 | MolIndexGetter);
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| 346 | _ObservedValues[MolCenter] = new ObservedValue_wCallback<Vector, moleculeId_t>(
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| 347 | _molref,
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| 348 | MolCenterUpdater,
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| 349 | "MoleculeCenter_"+toString(_molid),
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| 350 | MolCenterUpdater(),
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| 351 | CenterChannels,
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| 352 | _subjectKilled,
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| 353 | MolIndexGetter);
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| 354 | _ObservedValues[MolName] = new ObservedValue_wCallback<std::string, moleculeId_t>(
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| 355 | _molref,
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| 356 | MolNameUpdater,
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| 357 | "MoleculeName_"+toString(_molid),
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| 358 | MolNameUpdater(),
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| 359 | NameChannels,
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| 360 | _subjectKilled,
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| 361 | MolIndexGetter);
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| 362 | _ObservedValues[NonHydrogenCount] = new ObservedValue_wCallback<int, moleculeId_t>(
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| 363 | _molref,
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| 364 | NonHydrogenCountUpdater,
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| 365 | "MoleculeNonHydrogenCount_"+toString(_molid),
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| 366 | NonHydrogenCountUpdater(),
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| 367 | NonHydrogenCountChannels,
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| 368 | _subjectKilled,
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| 369 | MolIndexGetter);
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| 370 | }
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| 371 |
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| 372 | void QtObservedMolecule::destroyObservedValues(
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| 373 | std::vector<boost::any> &_ObservedValues)
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| 374 | {
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| 375 | delete boost::any_cast<ObservedValue_wCallback<moleculeId_t> *>(_ObservedValues[MolIndex]);
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| 376 | delete boost::any_cast<ObservedValue_wCallback<int, moleculeId_t> *>(_ObservedValues[AtomCount]);
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| 377 | delete boost::any_cast<ObservedValue_wCallback<int, moleculeId_t> *>(_ObservedValues[BondCount]);
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| 378 | delete boost::any_cast<ObservedValue_wCallback<std::string, moleculeId_t> *>(_ObservedValues[FormulaString]);
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| 379 | delete boost::any_cast<ObservedValue_wCallback<Vector, moleculeId_t> *>(_ObservedValues[MolCenter]);
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| 380 | delete boost::any_cast<ObservedValue_wCallback<molecule::BoundingBoxInfo, moleculeId_t> *>(_ObservedValues[BoundingBox]);
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| 381 | delete boost::any_cast<ObservedValue_wCallback<std::string, moleculeId_t> *>(_ObservedValues[MolName]);
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| 382 | delete boost::any_cast<ObservedValue_wCallback<int, moleculeId_t> *>(_ObservedValues[NonHydrogenCount]);
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| 383 | _ObservedValues.clear();
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| 384 | }
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| 385 |
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| 386 | int QtObservedMolecule::updateAtomCount(
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| 387 | const boost::function<const moleculeId_t ()> &_getMolIndex)
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| 388 | {
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| 389 | const molecule * const mol = getMolecule(_getMolIndex());
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| 390 | if (mol != NULL)
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| 391 | return mol->getAtomCount();
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| 392 | else
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| 393 | return (int)0;
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| 394 | }
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| 395 |
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| 396 | int QtObservedMolecule::updateBondCount(
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| 397 | const boost::function<const moleculeId_t ()> &_getMolIndex)
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| 398 | {
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| 399 | const molecule * const mol = getMolecule(_getMolIndex());
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| 400 | if (mol != NULL)
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| 401 | return mol->getBondCount();
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| 402 | else
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| 403 | return (int)0;
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| 404 | }
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| 405 |
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| 406 | molecule::BoundingBoxInfo QtObservedMolecule::updateBoundingBox(
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| 407 | const boost::function<const moleculeId_t ()> &_getMolIndex)
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| 408 | {
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| 409 | const molecule * const mol = getMolecule(_getMolIndex());
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| 410 | if (mol != NULL)
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| 411 | return mol->getBoundingBox();
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| 412 | else
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| 413 | return molecule::BoundingBoxInfo();
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| 414 | }
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| 415 |
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| 416 | std::string QtObservedMolecule::updateFormulaString(
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| 417 | const boost::function<const moleculeId_t ()> &_getMolIndex)
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|---|
| 418 | {
|
|---|
| 419 | const molecule * const mol = getMolecule(_getMolIndex());
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|---|
| 420 | if (mol != NULL)
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| 421 | return mol->getFormula().toString();
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| 422 | else
|
|---|
| 423 | return std::string("");
|
|---|
| 424 | }
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|---|
| 425 |
|
|---|
| 426 | Vector QtObservedMolecule::updateCenter(
|
|---|
| 427 | const boost::function<const moleculeId_t ()> &_getMolIndex)
|
|---|
| 428 | {
|
|---|
| 429 | const molecule * const mol = getMolecule(_getMolIndex());
|
|---|
| 430 | if (mol != NULL)
|
|---|
| 431 | return mol->DetermineCenterOfAll();
|
|---|
| 432 | else
|
|---|
| 433 | return zeroVec;
|
|---|
| 434 | }
|
|---|
| 435 |
|
|---|
| 436 | moleculeId_t QtObservedMolecule::updateIndex()
|
|---|
| 437 | {
|
|---|
| 438 | return const_cast<const World &>(World::getInstance()).lastChangedMolId();
|
|---|
| 439 | }
|
|---|
| 440 |
|
|---|
| 441 | std::string QtObservedMolecule::updateName(
|
|---|
| 442 | const boost::function<const moleculeId_t ()> &_getMolIndex)
|
|---|
| 443 | {
|
|---|
| 444 | const molecule * const mol = getMolecule(_getMolIndex());
|
|---|
| 445 | if (mol != NULL)
|
|---|
| 446 | return mol->getName();
|
|---|
| 447 | else
|
|---|
| 448 | return std::string("");
|
|---|
| 449 | }
|
|---|
| 450 |
|
|---|
| 451 | int QtObservedMolecule::updateNonHydrogenCount(
|
|---|
| 452 | const boost::function<const moleculeId_t ()> &_getMolIndex)
|
|---|
| 453 | {
|
|---|
| 454 | const molecule * const mol = getMolecule(_getMolIndex());
|
|---|
| 455 | if (mol != NULL)
|
|---|
| 456 | return mol->getNoNonHydrogen();
|
|---|
| 457 | else
|
|---|
| 458 | return (int)0;
|
|---|
| 459 | }
|
|---|
| 460 |
|
|---|
| 461 | int QtObservedMolecule::getAtomCount() const
|
|---|
| 462 | {
|
|---|
| 463 | return boost::any_cast<ObservedValue_wCallback<int, moleculeId_t> *>(ObservedValues[AtomCount])->get();
|
|---|
| 464 | }
|
|---|
| 465 |
|
|---|
| 466 | int QtObservedMolecule::getBondCount() const
|
|---|
| 467 | {
|
|---|
| 468 | return boost::any_cast<ObservedValue_wCallback<int, moleculeId_t> *>(ObservedValues[BondCount])->get();
|
|---|
| 469 | }
|
|---|
| 470 |
|
|---|
| 471 | std::string QtObservedMolecule::getMolFormula() const
|
|---|
| 472 | {
|
|---|
| 473 | return boost::any_cast<ObservedValue_wCallback<std::string, moleculeId_t> *>(ObservedValues[FormulaString])->get();
|
|---|
| 474 | }
|
|---|
| 475 |
|
|---|
| 476 | Vector QtObservedMolecule::getMolCenter() const
|
|---|
| 477 | {
|
|---|
| 478 | return boost::any_cast<ObservedValue_wCallback<Vector, moleculeId_t> *>(ObservedValues[MolCenter])->get();
|
|---|
| 479 | }
|
|---|
| 480 |
|
|---|
| 481 | moleculeId_t QtObservedMolecule::getMolIndex() const
|
|---|
| 482 | {
|
|---|
| 483 | return boost::any_cast<ObservedValue_wCallback<moleculeId_t> *>(ObservedValues[MolIndex])->get();
|
|---|
| 484 | }
|
|---|
| 485 |
|
|---|
| 486 | std::string QtObservedMolecule::getMolName() const
|
|---|
| 487 | {
|
|---|
| 488 | return boost::any_cast<ObservedValue_wCallback<std::string, moleculeId_t> *>(ObservedValues[MolName])->get();
|
|---|
| 489 | }
|
|---|
| 490 |
|
|---|
| 491 | int QtObservedMolecule::getNonHydrogenCount() const
|
|---|
| 492 | {
|
|---|
| 493 | return boost::any_cast<ObservedValue_wCallback<int, moleculeId_t> *>(ObservedValues[NonHydrogenCount])->get();
|
|---|
| 494 | }
|
|---|
| 495 |
|
|---|
| 496 | molecule::BoundingBoxInfo QtObservedMolecule::getBoundingBox() const
|
|---|
| 497 | {
|
|---|
| 498 | return boost::any_cast<ObservedValue_wCallback<molecule::BoundingBoxInfo, moleculeId_t> *>(ObservedValues[BoundingBox])->get();
|
|---|
| 499 | }
|
|---|