| 1 | /* | 
|---|
| 2 | * Project: MoleCuilder | 
|---|
| 3 | * Description: creates and alters molecular systems | 
|---|
| 4 | * Copyright (C)  2015 Frederik Heber. All rights reserved. | 
|---|
| 5 | * | 
|---|
| 6 | * | 
|---|
| 7 | *   This file is part of MoleCuilder. | 
|---|
| 8 | * | 
|---|
| 9 | *    MoleCuilder is free software: you can redistribute it and/or modify | 
|---|
| 10 | *    it under the terms of the GNU General Public License as published by | 
|---|
| 11 | *    the Free Software Foundation, either version 2 of the License, or | 
|---|
| 12 | *    (at your option) any later version. | 
|---|
| 13 | * | 
|---|
| 14 | *    MoleCuilder is distributed in the hope that it will be useful, | 
|---|
| 15 | *    but WITHOUT ANY WARRANTY; without even the implied warranty of | 
|---|
| 16 | *    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the | 
|---|
| 17 | *    GNU General Public License for more details. | 
|---|
| 18 | * | 
|---|
| 19 | *    You should have received a copy of the GNU General Public License | 
|---|
| 20 | *    along with MoleCuilder.  If not, see <http://www.gnu.org/licenses/>. | 
|---|
| 21 | */ | 
|---|
| 22 |  | 
|---|
| 23 | /* | 
|---|
| 24 | * QtObservedAtom.cpp | 
|---|
| 25 | * | 
|---|
| 26 | *  Created on: Oct 28, 2015 | 
|---|
| 27 | *      Author: heber | 
|---|
| 28 | */ | 
|---|
| 29 |  | 
|---|
| 30 |  | 
|---|
| 31 | // include config.h | 
|---|
| 32 | #ifdef HAVE_CONFIG_H | 
|---|
| 33 | #include <config.h> | 
|---|
| 34 | #endif | 
|---|
| 35 |  | 
|---|
| 36 | #include "QtObservedAtom.hpp" | 
|---|
| 37 |  | 
|---|
| 38 | #include "UIElements/Qt4/InstanceBoard/QtObservedInstanceBoard.hpp" | 
|---|
| 39 |  | 
|---|
| 40 | #include "CodePatterns/MemDebug.hpp" | 
|---|
| 41 |  | 
|---|
| 42 | #include <boost/assign.hpp> | 
|---|
| 43 |  | 
|---|
| 44 | #include "Atom/atom.hpp" | 
|---|
| 45 | #include "Bond/bond.hpp" | 
|---|
| 46 | #include "Descriptors/AtomIdDescriptor.hpp" | 
|---|
| 47 | #include "Element/element.hpp" | 
|---|
| 48 | #include "World.hpp" | 
|---|
| 49 |  | 
|---|
| 50 | #include "UIElements/Qt4/InstanceBoard/ObservedValue_wCallback.hpp" | 
|---|
| 51 |  | 
|---|
| 52 | using namespace boost::assign; | 
|---|
| 53 |  | 
|---|
| 54 | static const Observable::channels_t getAtomBondsChannels() | 
|---|
| 55 | { | 
|---|
| 56 | Observable::channels_t channels; | 
|---|
| 57 | channels += AtomObservable::BondsAdded, AtomObservable::BondsRemoved; | 
|---|
| 58 | return channels; | 
|---|
| 59 | } | 
|---|
| 60 |  | 
|---|
| 61 | static const Observable::channels_t getAllObservedChannels() | 
|---|
| 62 | { | 
|---|
| 63 | Observable::channels_t channels; | 
|---|
| 64 | channels += | 
|---|
| 65 | AtomObservable::IndexChanged, | 
|---|
| 66 | AtomObservable::BondsAdded, | 
|---|
| 67 | AtomObservable::BondsRemoved, | 
|---|
| 68 | AtomObservable::MoleculeChanged, | 
|---|
| 69 | AtomObservable::NameChanged, | 
|---|
| 70 | AtomObservable::ElementChanged, | 
|---|
| 71 | AtomObservable::PositionChanged, | 
|---|
| 72 | AtomObservable::SelectionChanged; | 
|---|
| 73 | return channels; | 
|---|
| 74 | } | 
|---|
| 75 |  | 
|---|
| 76 | // static entities | 
|---|
| 77 | const Observable::channels_t | 
|---|
| 78 | QtObservedAtom::AtomIndexChannels(1, AtomObservable::IndexChanged); | 
|---|
| 79 | const Observable::channels_t | 
|---|
| 80 | QtObservedAtom::AtomBondsChannels(getAtomBondsChannels()); | 
|---|
| 81 | const Observable::channels_t | 
|---|
| 82 | QtObservedAtom::AtomElementChannels(1, AtomObservable::ElementChanged); | 
|---|
| 83 | const Observable::channels_t | 
|---|
| 84 | QtObservedAtom::MoleculeChangedChannels(1, AtomObservable::MoleculeChanged); | 
|---|
| 85 | const Observable::channels_t | 
|---|
| 86 | QtObservedAtom::AtomNameChannels(1, AtomObservable::NameChanged); | 
|---|
| 87 | const Observable::channels_t | 
|---|
| 88 | QtObservedAtom::AtomPositionChannels(1, AtomObservable::PositionChanged); | 
|---|
| 89 | const Observable::channels_t | 
|---|
| 90 | QtObservedAtom::AtomSelectedChannels(1, AtomObservable::SelectionChanged); | 
|---|
| 91 |  | 
|---|
| 92 | QtObservedAtom::QtObservedAtom( | 
|---|
| 93 | const atomId_t _id, | 
|---|
| 94 | const atom * const _atom, | 
|---|
| 95 | QtObservedInstanceBoard &_board, | 
|---|
| 96 | QWidget * _parent) : | 
|---|
| 97 | QWidget(_parent), | 
|---|
| 98 | Observer("QtObservedAtom"), | 
|---|
| 99 | subjectKilledCount(0), | 
|---|
| 100 | AllsignedOnChannels(getAllObservedChannels().size()), | 
|---|
| 101 | signedOffChannels(0), | 
|---|
| 102 | owner(NULL), | 
|---|
| 103 | index(static_cast<const ObservedValue_Index_t>(const_cast<const QtObservedAtom * const>(this))), | 
|---|
| 104 | board(_board), | 
|---|
| 105 | BoardIsGone(false), | 
|---|
| 106 | ObservedValues(QtObservedAtom::MAX_ObservedTypes) | 
|---|
| 107 | { | 
|---|
| 108 | boost::function<void ()> atomSubjectKilled( | 
|---|
| 109 | boost::bind(&QtObservedAtom::countValuesSubjectKilled, | 
|---|
| 110 | boost::ref(*this), | 
|---|
| 111 | boost::bind(&QtObservedAtom::getIndex, boost::ref(*this)))); | 
|---|
| 112 | initObservedValues( ObservedValues, _id, _atom, atomSubjectKilled); | 
|---|
| 113 |  | 
|---|
| 114 | // activating Observer is done by ObservedValueContainer when it's inserted | 
|---|
| 115 | } | 
|---|
| 116 |  | 
|---|
| 117 | QtObservedAtom::~QtObservedAtom() | 
|---|
| 118 | { | 
|---|
| 119 | boost::any_cast<ObservedValue_wCallback<atomId_t, ObservedValue_Index_t> *>(ObservedValues[AtomIndex])->noteCallBackIsGone(); | 
|---|
| 120 | boost::any_cast<ObservedValue_wCallback<ListOfBonds_t, ObservedValue_Index_t> *>(ObservedValues[AtomBonds])->noteCallBackIsGone(); | 
|---|
| 121 | boost::any_cast<ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t> *>(ObservedValues[AtomElement])->noteCallBackIsGone(); | 
|---|
| 122 | boost::any_cast<ObservedValue_wCallback<QtObservedMolecule*, ObservedValue_Index_t> *>(ObservedValues[MoleculeRef])->noteCallBackIsGone(); | 
|---|
| 123 | boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(ObservedValues[AtomName])->noteCallBackIsGone(); | 
|---|
| 124 | boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[AtomPosition])->noteCallBackIsGone(); | 
|---|
| 125 | boost::any_cast<ObservedValue_wCallback<bool, ObservedValue_Index_t> *>(ObservedValues[AtomSelected])->noteCallBackIsGone(); | 
|---|
| 126 |  | 
|---|
| 127 | deactivateObserver(); | 
|---|
| 128 |  | 
|---|
| 129 | destroyObservedValues(ObservedValues); | 
|---|
| 130 | } | 
|---|
| 131 |  | 
|---|
| 132 | const atom * const QtObservedAtom::getAtomConst(const atomId_t _id) | 
|---|
| 133 | { | 
|---|
| 134 | const atom * const _atom = const_cast<const World &>(World::getInstance()). | 
|---|
| 135 | getAtom(AtomById(_id)); | 
|---|
| 136 | return _atom; | 
|---|
| 137 | } | 
|---|
| 138 |  | 
|---|
| 139 | atom * const QtObservedAtom::getAtom(const atomId_t _id) | 
|---|
| 140 | { | 
|---|
| 141 | atom * const _atom = World::getInstance().getAtom(AtomById(_id)); | 
|---|
| 142 | return _atom; | 
|---|
| 143 | } | 
|---|
| 144 |  | 
|---|
| 145 | #ifdef HAVE_INLINE | 
|---|
| 146 | inline | 
|---|
| 147 | #endif | 
|---|
| 148 | atomId_t QtObservedAtom::updateIndex(const atom &_atomref) | 
|---|
| 149 | { | 
|---|
| 150 | return _atomref.getId(); | 
|---|
| 151 | } | 
|---|
| 152 |  | 
|---|
| 153 | QtObservedAtom::ListOfBonds_t QtObservedAtom::updateBonds( | 
|---|
| 154 | const atom &_atom) | 
|---|
| 155 | { | 
|---|
| 156 | ListOfBonds_t ListOfBonds; | 
|---|
| 157 | // make sure bonds is up-to-date | 
|---|
| 158 | const BondList ListBonds = _atom.getListOfBonds(); | 
|---|
| 159 | for (BondList::const_iterator iter = ListBonds.begin(); | 
|---|
| 160 | iter != ListBonds.end(); | 
|---|
| 161 | ++iter) | 
|---|
| 162 | ListOfBonds.insert( ListOfBonds.end(), std::make_pair( | 
|---|
| 163 | (*iter)->leftatom->getId(), | 
|---|
| 164 | (*iter)->rightatom->getId()) ); | 
|---|
| 165 | return ListOfBonds; | 
|---|
| 166 | } | 
|---|
| 167 |  | 
|---|
| 168 | #ifdef HAVE_INLINE | 
|---|
| 169 | inline | 
|---|
| 170 | #endif | 
|---|
| 171 | atomicNumber_t QtObservedAtom::updateElement( | 
|---|
| 172 | const atom &_atom) | 
|---|
| 173 | { | 
|---|
| 174 | return _atom.getElementNo(); | 
|---|
| 175 | } | 
|---|
| 176 |  | 
|---|
| 177 | #ifdef HAVE_INLINE | 
|---|
| 178 | inline | 
|---|
| 179 | #endif | 
|---|
| 180 | QtObservedMolecule* QtObservedAtom::updateMoleculeRef( | 
|---|
| 181 | const atom &_atom) | 
|---|
| 182 | { | 
|---|
| 183 | if (_atom.getMolecule() != NULL) { | 
|---|
| 184 | const moleculeId_t molid = _atom.getMolecule()->getId(); | 
|---|
| 185 | const QtObservedMolecule::ptr mol = board.getObservedMolecule(molid); | 
|---|
| 186 | ASSERT(mol, | 
|---|
| 187 | "QtObservedAtom::updateMoleculeRef() - could not update the ref, " | 
|---|
| 188 | +toString(molid)+" unknown to Instance board?"); | 
|---|
| 189 | return mol.get(); | 
|---|
| 190 | } else { | 
|---|
| 191 | return (QtObservedMolecule*)NULL; | 
|---|
| 192 | } | 
|---|
| 193 | } | 
|---|
| 194 |  | 
|---|
| 195 | #ifdef HAVE_INLINE | 
|---|
| 196 | inline | 
|---|
| 197 | #endif | 
|---|
| 198 | std::string QtObservedAtom::updateName( | 
|---|
| 199 | const atom &_atom) | 
|---|
| 200 | { | 
|---|
| 201 | return _atom.getName(); | 
|---|
| 202 | } | 
|---|
| 203 |  | 
|---|
| 204 | #ifdef HAVE_INLINE | 
|---|
| 205 | inline | 
|---|
| 206 | #endif | 
|---|
| 207 | Vector QtObservedAtom::updatePosition( | 
|---|
| 208 | const atom &_atom) | 
|---|
| 209 | { | 
|---|
| 210 | return _atom.getPosition(); | 
|---|
| 211 | } | 
|---|
| 212 |  | 
|---|
| 213 | #ifdef HAVE_INLINE | 
|---|
| 214 | inline | 
|---|
| 215 | #endif | 
|---|
| 216 | bool QtObservedAtom::updateSelected( | 
|---|
| 217 | const atom &_atom) | 
|---|
| 218 | { | 
|---|
| 219 | return _atom.getSelected(); | 
|---|
| 220 | } | 
|---|
| 221 |  | 
|---|
| 222 | void QtObservedAtom::update(Observable *publisher) | 
|---|
| 223 | { | 
|---|
| 224 | ASSERT(0, "QtObservedAtom::update() - we are not signed on for global updates."); | 
|---|
| 225 | } | 
|---|
| 226 |  | 
|---|
| 227 | void QtObservedAtom::subjectKilled(Observable *publisher) | 
|---|
| 228 | { | 
|---|
| 229 | ++signedOffChannels; | 
|---|
| 230 |  | 
|---|
| 231 | checkForRemoval(getIndex()); | 
|---|
| 232 | } | 
|---|
| 233 |  | 
|---|
| 234 | void QtObservedAtom::countValuesSubjectKilled(ObservedValue_Index_t _id) | 
|---|
| 235 | { | 
|---|
| 236 | ASSERT( _id == getIndex(), | 
|---|
| 237 | "QtObservedAtom::countValuesSubjectKilled() - atom "+toString(getIndex()) | 
|---|
| 238 | +" received countValuesSubjectKilled for atom id "+toString(_id)+"."); | 
|---|
| 239 |  | 
|---|
| 240 | ++subjectKilledCount; | 
|---|
| 241 |  | 
|---|
| 242 | checkForRemoval(_id); | 
|---|
| 243 | } | 
|---|
| 244 |  | 
|---|
| 245 | #ifdef HAVE_INLINE | 
|---|
| 246 | inline | 
|---|
| 247 | #endif | 
|---|
| 248 | void QtObservedAtom::checkForRemoval(ObservedValue_Index_t _id) | 
|---|
| 249 | { | 
|---|
| 250 | if ((signedOffChannels == AllsignedOnChannels) && (subjectKilledCount == MAX_ObservedTypes)) { | 
|---|
| 251 | // remove owner: no more signOff needed | 
|---|
| 252 | owner = NULL; | 
|---|
| 253 |  | 
|---|
| 254 | emit atomRemoved(); | 
|---|
| 255 |  | 
|---|
| 256 | if (!BoardIsGone) { | 
|---|
| 257 | board.markObservedAtomAsDisconnected(_id); | 
|---|
| 258 | board.markObservedAtomForErase(_id); | 
|---|
| 259 | } | 
|---|
| 260 | } | 
|---|
| 261 | } | 
|---|
| 262 |  | 
|---|
| 263 | void QtObservedAtom::recieveNotification(Observable *publisher, Notification_ptr notification) | 
|---|
| 264 | { | 
|---|
| 265 | // ObservedValues have been updated before, hence convert updates to Qt's signals | 
|---|
| 266 | switch (notification->getChannelNo()) { | 
|---|
| 267 | case AtomObservable::IndexChanged: | 
|---|
| 268 | { | 
|---|
| 269 | emit indexChanged(); | 
|---|
| 270 | break; | 
|---|
| 271 | } | 
|---|
| 272 | case AtomObservable::BondsAdded: | 
|---|
| 273 | case AtomObservable::BondsRemoved: | 
|---|
| 274 | emit bondsChanged(); | 
|---|
| 275 | break; | 
|---|
| 276 | case AtomObservable::ElementChanged: | 
|---|
| 277 | emit elementChanged(); | 
|---|
| 278 | break; | 
|---|
| 279 | case AtomObservable::MoleculeChanged: | 
|---|
| 280 | emit moleculeChanged(); | 
|---|
| 281 | break; | 
|---|
| 282 | case AtomObservable::NameChanged: | 
|---|
| 283 | emit nameChanged(); | 
|---|
| 284 | break; | 
|---|
| 285 | case AtomObservable::PositionChanged: | 
|---|
| 286 | emit positionChanged(); | 
|---|
| 287 | break; | 
|---|
| 288 | case AtomObservable::SelectionChanged: | 
|---|
| 289 | emit selectedChanged(); | 
|---|
| 290 | break; | 
|---|
| 291 | default: | 
|---|
| 292 | ASSERT(0, "QtObservedAtom::recieveNotification() - we are not signed on to channel " | 
|---|
| 293 | +toString(notification->getChannelNo())+" of the atom."); | 
|---|
| 294 | break; | 
|---|
| 295 | } | 
|---|
| 296 | } | 
|---|
| 297 |  | 
|---|
| 298 | void QtObservedAtom::activateObserver() | 
|---|
| 299 | { | 
|---|
| 300 | atom * atomref = getAtom(getAtomIndex()); | 
|---|
| 301 | if (atomref != NULL) { | 
|---|
| 302 | Observable::channels_t channels = getAllObservedChannels(); | 
|---|
| 303 | owner = static_cast<const Observable *>(atomref); | 
|---|
| 304 | for (Observable::channels_t::const_iterator iter = channels.begin(); | 
|---|
| 305 | iter != channels.end(); ++iter) | 
|---|
| 306 | owner->signOn(this, *iter); | 
|---|
| 307 | if (!BoardIsGone) | 
|---|
| 308 | board.markObservedAtomAsConnected(getIndex()); | 
|---|
| 309 | } else | 
|---|
| 310 | signedOffChannels = AllsignedOnChannels; | 
|---|
| 311 | } | 
|---|
| 312 |  | 
|---|
| 313 | void QtObservedAtom::deactivateObserver() | 
|---|
| 314 | { | 
|---|
| 315 | // sign Off | 
|---|
| 316 | if (owner != NULL) { | 
|---|
| 317 | Observable::channels_t channels = getAllObservedChannels(); | 
|---|
| 318 | for (Observable::channels_t::const_iterator iter = channels.begin(); | 
|---|
| 319 | iter != channels.end(); ++iter) | 
|---|
| 320 | owner->signOff(this, *iter); | 
|---|
| 321 | owner = NULL; | 
|---|
| 322 | signedOffChannels = AllsignedOnChannels; | 
|---|
| 323 | if (!BoardIsGone) | 
|---|
| 324 | board.markObservedAtomAsDisconnected(getIndex()); | 
|---|
| 325 | } | 
|---|
| 326 | } | 
|---|
| 327 |  | 
|---|
| 328 | void QtObservedAtom::initObservedValues( | 
|---|
| 329 | ObservedValues_t &_ObservedValues, | 
|---|
| 330 | const atomId_t _id, | 
|---|
| 331 | const atom * const _atomref, | 
|---|
| 332 | const boost::function<void()> &_subjectKilled) | 
|---|
| 333 | { | 
|---|
| 334 | ASSERT( _ObservedValues.size() == MAX_ObservedTypes, | 
|---|
| 335 | "QtObservedAtom::initObservedValues() - given ObservedValues has not correct size."); | 
|---|
| 336 |  | 
|---|
| 337 | // fill ObservedValues: then all the other that need index | 
|---|
| 338 | const boost::function<atomId_t ()> AtomIndexUpdater( | 
|---|
| 339 | boost::bind(&QtObservedAtom::updateIndex, boost::cref(*_atomref))); | 
|---|
| 340 | const boost::function<ListOfBonds_t ()> AtomBondsUpdater( | 
|---|
| 341 | boost::bind(&QtObservedAtom::updateBonds, boost::cref(*_atomref))); | 
|---|
| 342 | const boost::function<atomicNumber_t ()> AtomElementUpdater( | 
|---|
| 343 | boost::bind(&QtObservedAtom::updateElement, boost::cref(*_atomref))); | 
|---|
| 344 | const boost::function<std::string ()> AtomNameUpdater( | 
|---|
| 345 | boost::bind(&QtObservedAtom::updateName, boost::cref(*_atomref))); | 
|---|
| 346 | const boost::function<Vector ()> AtomPositionUpdater( | 
|---|
| 347 | boost::bind(&QtObservedAtom::updatePosition, boost::cref(*_atomref))); | 
|---|
| 348 | const boost::function<bool ()> AtomSelectedUpdater( | 
|---|
| 349 | boost::bind(&QtObservedAtom::updateSelected, boost::cref(*_atomref))); | 
|---|
| 350 | const boost::function<QtObservedMolecule* ()> MoleculeRefUpdater( | 
|---|
| 351 | boost::bind(&QtObservedAtom::updateMoleculeRef, this, boost::cref(*_atomref))); | 
|---|
| 352 |  | 
|---|
| 353 | _ObservedValues[AtomIndex] = new ObservedValue_wCallback<atomId_t, ObservedValue_Index_t>( | 
|---|
| 354 | _atomref, | 
|---|
| 355 | AtomIndexUpdater, | 
|---|
| 356 | "AtomIndex_"+toString(_id), | 
|---|
| 357 | _id, | 
|---|
| 358 | AtomIndexChannels, | 
|---|
| 359 | _subjectKilled); | 
|---|
| 360 | _ObservedValues[AtomBonds] = new ObservedValue_wCallback<ListOfBonds_t, ObservedValue_Index_t>( | 
|---|
| 361 | _atomref, | 
|---|
| 362 | AtomBondsUpdater, | 
|---|
| 363 | "AtomBonds_"+toString(_id), | 
|---|
| 364 | AtomBondsUpdater(), | 
|---|
| 365 | AtomBondsChannels, | 
|---|
| 366 | _subjectKilled); | 
|---|
| 367 | _ObservedValues[AtomElement] = new ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t>( | 
|---|
| 368 | _atomref, | 
|---|
| 369 | AtomElementUpdater, | 
|---|
| 370 | "AtomElement"+toString(_id), | 
|---|
| 371 | AtomElementUpdater(), | 
|---|
| 372 | AtomElementChannels, | 
|---|
| 373 | _subjectKilled); | 
|---|
| 374 | _ObservedValues[AtomName] = new ObservedValue_wCallback<std::string, ObservedValue_Index_t>( | 
|---|
| 375 | _atomref, | 
|---|
| 376 | AtomNameUpdater, | 
|---|
| 377 | "AtomName"+toString(_id), | 
|---|
| 378 | AtomNameUpdater(), | 
|---|
| 379 | AtomNameChannels, | 
|---|
| 380 | _subjectKilled); | 
|---|
| 381 | _ObservedValues[AtomPosition] = new ObservedValue_wCallback<Vector, ObservedValue_Index_t>( | 
|---|
| 382 | _atomref, | 
|---|
| 383 | AtomPositionUpdater, | 
|---|
| 384 | "AtomPosition_"+toString(_id), | 
|---|
| 385 | AtomPositionUpdater(), | 
|---|
| 386 | AtomPositionChannels, | 
|---|
| 387 | _subjectKilled); | 
|---|
| 388 | _ObservedValues[AtomSelected] = new ObservedValue_wCallback<bool, ObservedValue_Index_t>( | 
|---|
| 389 | _atomref, | 
|---|
| 390 | AtomSelectedUpdater, | 
|---|
| 391 | "AtomSelected_"+toString(_id), | 
|---|
| 392 | AtomSelectedUpdater(), | 
|---|
| 393 | AtomSelectedChannels, | 
|---|
| 394 | _subjectKilled); | 
|---|
| 395 | _ObservedValues[MoleculeRef] = new ObservedValue_wCallback<QtObservedMolecule*, ObservedValue_Index_t>( | 
|---|
| 396 | _atomref, | 
|---|
| 397 | MoleculeRefUpdater, | 
|---|
| 398 | "AtomMoleculeIndex"+toString(_id), | 
|---|
| 399 | MoleculeRefUpdater(), | 
|---|
| 400 | MoleculeChangedChannels, | 
|---|
| 401 | _subjectKilled); | 
|---|
| 402 | } | 
|---|
| 403 |  | 
|---|
| 404 | void QtObservedAtom::destroyObservedValues( | 
|---|
| 405 | std::vector<boost::any> &_ObservedValues) | 
|---|
| 406 | { | 
|---|
| 407 | delete boost::any_cast<ObservedValue_wCallback<atomId_t, ObservedValue_Index_t> *>(_ObservedValues[AtomIndex]); | 
|---|
| 408 | delete boost::any_cast<ObservedValue_wCallback<ListOfBonds_t, ObservedValue_Index_t> *>(_ObservedValues[AtomBonds]); | 
|---|
| 409 | delete boost::any_cast<ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t> *>(_ObservedValues[AtomElement]); | 
|---|
| 410 | delete boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(_ObservedValues[AtomName]); | 
|---|
| 411 | delete boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(_ObservedValues[AtomPosition]); | 
|---|
| 412 | delete boost::any_cast<ObservedValue_wCallback<bool, ObservedValue_Index_t> *>(_ObservedValues[AtomSelected]); | 
|---|
| 413 | delete boost::any_cast<ObservedValue_wCallback<QtObservedMolecule*, ObservedValue_Index_t> *>(_ObservedValues[MoleculeRef]); | 
|---|
| 414 | _ObservedValues.clear(); | 
|---|
| 415 | } | 
|---|
| 416 |  | 
|---|
| 417 | ObservedValue_Index_t QtObservedAtom::getIndex() const | 
|---|
| 418 | { | 
|---|
| 419 | ASSERT( index != NULL, | 
|---|
| 420 | "QtObservedAtom::getIndex() - index is NULL"); | 
|---|
| 421 | return index; | 
|---|
| 422 | } | 
|---|
| 423 |  | 
|---|
| 424 | const atomId_t& QtObservedAtom::getAtomIndex() const | 
|---|
| 425 | { | 
|---|
| 426 | return boost::any_cast<ObservedValue_wCallback<atomId_t, ObservedValue_Index_t> *>(ObservedValues[AtomIndex])->get(); | 
|---|
| 427 | } | 
|---|
| 428 |  | 
|---|
| 429 | const QtObservedAtom::ListOfBonds_t& QtObservedAtom::getAtomBonds() const | 
|---|
| 430 | { | 
|---|
| 431 | return boost::any_cast<ObservedValue_wCallback<ListOfBonds_t, ObservedValue_Index_t> *>(ObservedValues[AtomBonds])->get(); | 
|---|
| 432 | } | 
|---|
| 433 |  | 
|---|
| 434 | const atomicNumber_t& QtObservedAtom::getAtomElement() const | 
|---|
| 435 | { | 
|---|
| 436 | return boost::any_cast<ObservedValue_wCallback<atomicNumber_t, ObservedValue_Index_t> *>(ObservedValues[AtomElement])->get(); | 
|---|
| 437 | } | 
|---|
| 438 |  | 
|---|
| 439 | const std::string& QtObservedAtom::getAtomName() const | 
|---|
| 440 | { | 
|---|
| 441 | return boost::any_cast<ObservedValue_wCallback<std::string, ObservedValue_Index_t> *>(ObservedValues[AtomName])->get(); | 
|---|
| 442 | } | 
|---|
| 443 |  | 
|---|
| 444 | const Vector& QtObservedAtom::getAtomPosition() const | 
|---|
| 445 | { | 
|---|
| 446 | return boost::any_cast<ObservedValue_wCallback<Vector, ObservedValue_Index_t> *>(ObservedValues[AtomPosition])->get(); | 
|---|
| 447 | } | 
|---|
| 448 |  | 
|---|
| 449 | const bool QtObservedAtom::getAtomSelected() const | 
|---|
| 450 | { | 
|---|
| 451 | return boost::any_cast<ObservedValue_wCallback<bool, ObservedValue_Index_t> *>(ObservedValues[AtomSelected])->get(); | 
|---|
| 452 | } | 
|---|
| 453 |  | 
|---|
| 454 | const QtObservedMolecule* const QtObservedAtom::getMoleculeRef() const | 
|---|
| 455 | { | 
|---|
| 456 | return boost::any_cast<ObservedValue_wCallback<QtObservedMolecule*, ObservedValue_Index_t> *>(ObservedValues[MoleculeRef])->get(); | 
|---|
| 457 | } | 
|---|