Ignore:
Timestamp:
Apr 20, 2016, 10:58:43 PM (9 years ago)
Author:
Frederik Heber <heber@…>
Branches:
Action_Thermostats, Add_AtomRandomPerturbation, Add_FitFragmentPartialChargesAction, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Added_ParseSaveFragmentResults, AddingActions_SaveParseParticleParameters, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_ParticleName_to_Atom, Adding_StructOpt_integration_tests, AtomFragments, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.5.4, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, CombiningParticlePotentialParsing, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_BoundInBox_CenterInBox_MoleculeActions, Fix_ChargeSampling_PBC, Fix_ChronosMutex, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ForceAnnealing, Fix_IndependentFragmentGrids, Fix_ParseParticles, Fix_ParseParticles_split_forward_backward_Actions, Fix_PopActions, Fix_QtFragmentList_sorted_selection, Fix_Restrictedkeyset_FragmentMolecule, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, Fix_fitting_potentials, Fixes, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, FragmentAction_writes_AtomFragments, FragmentMolecule_checks_bonddegrees, GeometryObjects, Gui_Fixes, Gui_displays_atomic_force_velocity, ImplicitCharges, IndependentFragmentGrids, IndependentFragmentGrids_IndividualZeroInstances, IndependentFragmentGrids_IntegrationTest, IndependentFragmentGrids_Sole_NN_Calculation, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, MoreRobust_FragmentAutomation, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PdbParser_setsAtomName, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, Rewrite_FitPartialCharges, RotateToPrincipalAxisSystem_UndoRedo, SaturateAtoms_findBestMatching, SaturateAtoms_singleDegree, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, Switchable_LogView, ThirdParty_MPQC_rebuilt_buildsystem, TrajectoryDependenant_MaxOrder, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, TremoloParser_setsAtomName, Ubuntu_1604_changes, stable
Children:
d48a16
Parents:
b4bd0e
git-author:
Frederik Heber <heber@…> (03/24/16 13:26:51)
git-committer:
Frederik Heber <heber@…> (04/20/16 22:58:43)
Message:

Modified all GLMoleculeObjects and GLWorldScene to the new QtObservedBond.

  • GLWorldScene transmits bondInserted/bondRemoved similarly to those for the atoms to the molecule if aLready present and otherwise into the MissedStateMap.
File:
1 edited

Legend:

Unmodified
Added
Removed

  • src/UIElements/Views/Qt4/Qt3D/GLMoleculeObject_bond.cpp

    rb4bd0e r96f14a  
    4747#include "CodePatterns/Assert.hpp"
    4848#include "CodePatterns/Log.hpp"
    49 #include "CodePatterns/Observer/Notification.hpp"
    50 #include "CodePatterns/Observer/ObserverLog.hpp"
    51 #include "Descriptors/AtomIdDescriptor.hpp"
     49
    5250#include "Atom/atom.hpp"
    5351#include "Bond/bond.hpp"
    … …  
    5654#include "LinearAlgebra/Line.hpp"
    5755#include "LinearAlgebra/Vector.hpp"
    58 #include "UIElements/Qt4/InstanceBoard/ObservedValue_wCallback.hpp"
    5956#include "World.hpp"
    60 
    61 
    62 // static entities
    63 const Observable::channels_t
    64 GLMoleculeObject_bond::IndexChannels(1, AtomObservable::IndexChanged);
    65 const Observable::channels_t
    66 GLMoleculeObject_bond::BondPositionChannels(1, AtomObservable::PositionChanged);
    67 const Observable::channels_t
    68 GLMoleculeObject_bond::BondDegreeChannels(1, BondObservable::DegreeChanged);
    69 const Observable::channels_t
    70 GLMoleculeObject_bond::BondElementChannels(1, AtomObservable::ElementChanged);
    71 
    72 static GLMoleculeObject_bond::bondIds_t getBondIdsForIds(
    73     const boost::function<const atomId_t()> &_left,
    74     const boost::function<const atomId_t()> &_right)
    75 {
    76   return std::make_pair(_left(), _right());
    77 }
    7857
    7958GLMoleculeObject_bond::GLMoleculeObject_bond(
    8059    QGLSceneNode *mesh[],
    8160    QObject *parent,
    82     const bondIds_t bondIds,
     61    QtObservedBond::ptr &_ObservedBond,
    8362    const enum SideOfBond side) :
    8463  GLMoleculeObject(mesh, parent),
    85   Observer(std::string("GLMoleculeObject_bond")
    86       +toString(bondIds.first)
    87       +std::string("-")
    88       +toString(bondIds.second)),
    89   leftowner(getAtomConst(bondIds.first)),
    90   rightowner(getAtomConst(bondIds.second)),
    91   bondowner(getAtomConst(bondIds.first)->getBond(getAtomConst(bondIds.second)).get()),
    9264  BondSide(side),
    93   ObservedValues(MAX_ObservedTypes),
    94   subjectKilledCount(0),
    95   leftobservable_enabled(false),
    96   rightobservable_enabled(false),
    97   board_subjectKilled(
    98       boost::bind(
    99           static_cast<void (GLMoleculeObject_bond::*) ()>(
    100               &GLMoleculeObject_bond::countsubjectKilled),
    101           this))
     65  ObservedBond(_ObservedBond)
    10266{
    103   boost::function<void(const atomId_t &)> leftsubjectKilled =
    104       boost::bind(
    105           static_cast<void (GLMoleculeObject_bond::*) (const atomId_t &)>(
    106               &GLMoleculeObject_bond::countsubjectKilled),
    107           this, _1);
    108   boost::function<void(const atomId_t &)> rightsubjectKilled =
    109       boost::bind(
    110           static_cast<void (GLMoleculeObject_bond::*) (const atomId_t &)>(
    111               &GLMoleculeObject_bond::countsubjectKilled)
    112               , this, _1);
    113   boost::function<void(const bondIds_t &)> bondsubjectKilled =
    114       boost::bind(
    115           static_cast<void (GLMoleculeObject_bond::*) (const bondIds_t &)>(
    116               &GLMoleculeObject_bond::countsubjectKilled)
    117               , this, _1);
    118   initObservedValues(
    119       ObservedValues,
    120       bondIds.first,
    121       bondIds.second,
    122       leftowner,
    123       rightowner,
    124       bondowner,
    125       leftsubjectKilled,
    126       rightsubjectKilled,
    127       bondsubjectKilled);
    128 
    129   init();
    130 }
    131 
    132 GLMoleculeObject_bond::GLMoleculeObject_bond(
    133     QGLSceneNode *mesh[],
    134     QObject *parent,
    135     const bondIds_t bondIds,
    136     const enum SideOfBond side,
    137     std::vector<boost::any> &_ObservedValues,
    138     const boost::function<void (const bondIds_t)> &_subjectKilled) :
    139   GLMoleculeObject(mesh, parent),
    140   Observer(std::string("GLMoleculeObject_bond")
    141       +toString(bondIds.first)
    142       +std::string("-")
    143       +toString(bondIds.second)),
    144   leftowner(getAtomConst(bondIds.first)),
    145   rightowner(getAtomConst(bondIds.second)),
    146   bondowner(getAtomConst(bondIds.first)->getBond(getAtomConst(bondIds.second)).get()),
    147   BondSide(side),
    148   ObservedValues(_ObservedValues),
    149   subjectKilledCount(0),
    150   leftobservable_enabled(false),
    151   rightobservable_enabled(false),
    152   board_subjectKilled(_subjectKilled)
    153 {
    154   init();
    155 }
    156 
    157 void GLMoleculeObject_bond::init()
    158 {
    159   // sign on as observer (obtain non-const instance before)
    160   bondowner->signOn(this, BondObservable::BondRemoved);
    161   bondowner->signOn(this, BondObservable::DegreeChanged);
    162   bond_enabled = true;
    163   leftowner->signOn(this, AtomObservable::PositionChanged);
    164   leftowner->signOn(this, AtomObservable::ElementChanged);
    165   leftobservable_enabled = true;
    166   rightowner->signOn(this, AtomObservable::PositionChanged);
    167   rightowner->signOn(this, AtomObservable::ElementChanged);
    168   rightobservable_enabled = true;
    169 
    17067  resetElement();
    17168  resetPosition();
    17269  resetWidth();
    17370
    174   connect(this, SIGNAL(elementChanged()), this, SLOT(resetElement()), Qt::QueuedConnection);
    175   connect(this, SIGNAL(positionChanged()), this, SLOT(resetPosition()), Qt::QueuedConnection);
    176   connect(this, SIGNAL(degreeChanged()), this, SLOT(resetWidth()), Qt::QueuedConnection);
     71  // connect to observed bond's signals
     72  connect(_ObservedBond.get(), SIGNAL(degreeChanged()), this, SLOT(resetWidth()));
     73  if (side == left)
     74    connect(_ObservedBond.get(), SIGNAL(leftAtomElementChanged()), this, SLOT(resetElement()));
     75  else
     76    connect(_ObservedBond.get(), SIGNAL(rightAtomElementChanged()), this, SLOT(resetElement()));
     77  connect(_ObservedBond.get(), SIGNAL(leftAtomPositionChanged()), this, SLOT(resetPosition()));
     78  connect(_ObservedBond.get(), SIGNAL(rightAtomPositionChanged()), this, SLOT(resetPosition()));
     79}
     80
     81static const atomicNumber_t& getElement(
     82    const QtObservedBond::ptr &_ObservedBond,
     83    const enum GLMoleculeObject_bond::SideOfBond _side)
     84{
     85  if (_side == GLMoleculeObject_bond::left)
     86    return _ObservedBond->getLeftAtomElement();
     87  else
     88    return _ObservedBond->getRightAtomElement();
     89}
     90
     91static const Vector& getPosition(
     92    const QtObservedBond::ptr &_ObservedBond,
     93    const enum GLMoleculeObject_bond::SideOfBond _side)
     94{
     95  if (_side == GLMoleculeObject_bond::left)
     96    return _ObservedBond->getLeftAtomPosition();
     97  else
     98    return _ObservedBond->getRightAtomPosition();
     99}
     100
     101static const Vector& getOtherPosition(
     102    const QtObservedBond::ptr &_ObservedBond,
     103    const enum GLMoleculeObject_bond::SideOfBond _side)
     104{
     105  if (_side == GLMoleculeObject_bond::left)
     106    return _ObservedBond->getRightAtomPosition();
     107  else
     108    return _ObservedBond->getLeftAtomPosition();
    177109}
    178110
    179111GLMoleculeObject_bond::~GLMoleculeObject_bond()
    180112{
    181   LOG(3, "DEBUG: Destroying  GLMoleculeObject_bond to bond [" <<
    182       getleftIndex() << "," << getrightIndex() << "] and side " << BondSide << ".");
     113  LOG(4, "DEBUG: Destroying  GLMoleculeObject_bond to bond [" <<
     114      ObservedBond->getBondIndex() << "] and side " << BondSide << ".");
    183115  // signOff() if not already done
    184   removeChannels();
    185   destroyObservedValues(ObservedValues);
    186 }
    187 
    188 void GLMoleculeObject_bond::removeChannels()
    189 {
    190   // at this point both atoms should still be alive, hence we may safely sign off
    191   // from the AtomObservable itself
    192   if (bond_enabled) {
    193     if (bondowner != NULL) {
    194       bondowner->signOff(this, BondObservable::BondRemoved);
    195       bondowner->signOff(this, BondObservable::DegreeChanged);
    196     }
    197     bond_enabled = false;
    198   }
    199   if (leftobservable_enabled) {
    200     if (leftowner != NULL) {
    201       leftowner->signOff(this, AtomObservable::PositionChanged);
    202       leftowner->signOff(this, AtomObservable::ElementChanged);
    203     }
    204     leftobservable_enabled = false;
    205   }
    206   if (rightobservable_enabled) {
    207     if (rightowner != NULL) {
    208       rightowner->signOff(this, AtomObservable::PositionChanged);
    209       rightowner->signOff(this, AtomObservable::ElementChanged);
    210     }
    211     rightobservable_enabled = false;
    212   }
    213 }
    214 
    215 void GLMoleculeObject_bond::update(Observable *publisher)
    216 {
    217   ASSERT(0, "GLMoleculeObject_bond::update() - we are not signed on for any global updates.");
    218 }
    219 
    220 void GLMoleculeObject_bond::subjectKilled(Observable *publisher)
    221 {
    222   // we signOff from all other sources
    223   removeChannels();
    224   // check whether we should be removed
    225   board_subjectKilled(std::make_pair(getleftIndex(), getrightIndex()));
    226 }
    227 
    228 void GLMoleculeObject_bond::recieveNotification(Observable *publisher, Notification_ptr notification)
    229 {
    230 #ifdef LOG_OBSERVER
    231   if (publisher == static_cast<const Observable *>(bondowner)) {
    232     observerLog().addMessage() << "++ Update of Observer "
    233         << observerLog().getName(static_cast<Observer*>(this))
    234         << " received notification from bond for channel "
    235         << notification->getChannelNo() << ".";
    236   } else if (publisher == static_cast<const Observable * const>(leftowner)) {
    237     observerLog().addMessage() << "++ Update of Observer "
    238         << observerLog().getName(static_cast<Observer*>(this))
    239         << " received notification from leftatom " << getleftIndex() << " for channel "
    240         << notification->getChannelNo() << ".";
    241   } else if (publisher == static_cast<const Observable * const>(rightowner)) {
    242     observerLog().addMessage() << "++ Update of Observer "
    243         << observerLog().getName(static_cast<Observer*>(this))
    244         << " received notification from rightatom " << getrightIndex() << " for channel "
    245         << notification->getChannelNo() << ".";
    246   }
    247 #endif
    248   if (publisher == static_cast<const Observable *>(bondowner)){
    249     switch (notification->getChannelNo()) {
    250     case BondObservable::BondRemoved:
    251 //      removeMe();
    252       break;
    253     case BondObservable::DegreeChanged:
    254       emit degreeChanged();
    255       break;
    256     default:
    257       ASSERT(0, "GLMoleculeObject_bond::recieveNotification() - unknown signal.");
    258       break;
    259     }
    260   } else {
    261     // from an atom
    262     switch (notification->getChannelNo()) {
    263     case AtomObservable::PositionChanged:
    264       LOG(2, "INFO: Received notification of PositionChanged.");
    265       emit positionChanged();
    266       break;
    267     case AtomObservable::ElementChanged:
    268       LOG(2, "INFO: Received notification of ElementChanged.");
    269       emit elementChanged();
    270       break;
    271     default:
    272       break;
    273     }
    274   }
    275 }
    276 
    277 atomId_t GLMoleculeObject_bond::updateIndex()
    278 {
    279   return const_cast<const World &>(World::getInstance()).lastChangedAtomId();
    280 }
    281 
    282 Vector GLMoleculeObject_bond::updateLeftPosition(
    283     const boost::function<const atomId_t ()> &_getLeftAtomIndex)
    284 {
    285   const atom * const _atom = getAtomConst(_getLeftAtomIndex());
    286   return _atom->getPosition();
    287 }
    288 
    289 Vector GLMoleculeObject_bond::updateRightPosition(
    290     const boost::function<const atomId_t ()> &_getRightAtomIndex)
    291 {
    292   const atom * const _atom = getAtomConst(_getRightAtomIndex());
    293   return _atom->getPosition();
    294 }
    295 
    296 atomicNumber_t GLMoleculeObject_bond::updateLeftElement(
    297     const boost::function<const atomId_t ()> &_getLeftAtomIndex)
    298 {
    299   const atom * const _atom = getAtomConst(_getLeftAtomIndex());
    300   return _atom->getElementNo();
    301 }
    302 
    303 atomicNumber_t GLMoleculeObject_bond::updateRightElement(
    304     const boost::function<const atomId_t ()> &_getRightAtomIndex)
    305 {
    306   const atom * const _atom = getAtomConst(_getRightAtomIndex());
    307   return _atom->getElementNo();
    308 }
    309 
    310 int GLMoleculeObject_bond::updateDegree(
    311     const boost::function<const atomId_t ()> &_getLeftAtomIndex,
    312     const boost::function<const atomId_t ()> &_getRightAtomIndex)
    313 {
    314   const atom * const _leftatom = const_cast<const World &>(World::getInstance()).
    315       getAtom(AtomById(_getLeftAtomIndex()));
    316   const atom * const _rightatom = const_cast<const World &>(World::getInstance()).
    317       getAtom(AtomById(_getRightAtomIndex()));
    318   if ((_leftatom != NULL) && (_rightatom != NULL)) {
    319     bond::ptr _bond = _leftatom->getBond(_rightatom);
    320     return _bond->getDegree();
    321   } else {
    322     return 1;
    323   }
    324116}
    325117
    326118void GLMoleculeObject_bond::resetElement()
    327119{
    328   size_t elementno = getrightElement();
     120  const atomicNumber_t& elementno = getElement(ObservedBond, BondSide);
    329121  QGLMaterial *elementmaterial = getMaterial(elementno);
    330122  setMaterial(elementmaterial);
    … …  
    333125void GLMoleculeObject_bond::resetWidth()
    334126{
    335   const double factor = 1.0f+.5f*(getDegree()-1);
    336   LOG(2, "DEBUG: GLMoleculeObject_bond::resetWidth() - setting bond's width to " << factor << ".");
     127  const double factor = 1.0f+.5f*(ObservedBond->getBondDegree()-1);
     128  LOG(4, "DEBUG: GLMoleculeObject_bond::resetWidth() - setting bond's width to " << factor << ".");
    337129  setScaleX(factor);
    338130  setScaleY(factor);
    … …  
    343135void GLMoleculeObject_bond::resetPosition()
    344136{
    345   Vector Position = getleftPosition();
    346   Vector OtherPosition = getrightPosition();
     137  const Vector& Position = getPosition(ObservedBond, BondSide);
     138  const Vector& OtherPosition = getOtherPosition(ObservedBond, BondSide);
    347139  const double distance =
    348140      Position.distance(OtherPosition)/2.;
    … …  
    355147  Vector OtherAxis;
    356148  double alpha;
    357   a = Position - OtherPosition;
     149  a = OtherPosition - Position;
    358150  // construct rotation axis
    359151  b = a;
    … …  
    370162  // check
    371163  Vector a_rotated = axis.rotateVector(a, alpha);
    372   LOG(3, "INFO: Created cylinder from "// << Position << " to " << OtherPosition
     164  LOG(4, "DEBUG: Created cylinder from "// << Position << " to " << OtherPosition
    373165      << a << " to " << a_rotated << " around " << b << " by " << alpha/M_PI*180. << ", respectively.");
    374166
    375167  // set position (cylinder offset is in its barymetric center)
    376   Vector OneFourth(Position - 0.75 * a);
     168  Vector OneFourth(OtherPosition - 0.75 * a);
    377169  setPosition(QVector3D(OneFourth[0], OneFourth[1], OneFourth[2]));
    378170  setRotationVector(QVector3D(b[0], b[1], b[2]));
    … …  
    381173  emit changed();
    382174}
    383 
    384 atom * const GLMoleculeObject_bond::getAtom(const atomId_t _id)
    385 {
    386   atom * const _atom = World::getInstance().getAtom(AtomById(_id));
    387   return _atom;
    388 }
    389 
    390 const atom * const GLMoleculeObject_bond::getAtomConst(const atomId_t _id)
    391 {
    392   const atom * const _atom = const_cast<const World &>(World::getInstance()).
    393       getAtom(AtomById(_id));
    394   return _atom;
    395 }
    396 
    397 void GLMoleculeObject_bond::countsubjectKilled()
    398 {
    399   ++subjectKilledCount;
    400 
    401   if (subjectKilledCount > ObservedValues.size())
    402     emit BondRemoved(getleftIndex(), getrightIndex());
    403 }
    404 
    405 void GLMoleculeObject_bond::initObservedValues(
    406     std::vector<boost::any> &_ObservedValues,
    407     const atomId_t _leftatomId,
    408     const atomId_t _rightatomId,
    409     const Observable * const _leftowner,
    410     const Observable * const _rightowner,
    411     const Observable * const _bondowner,
    412     const boost::function<void(const atomId_t &)> &_leftsubjectKilled,
    413     const boost::function<void(const atomId_t &)> &_rightsubjectKilled,
    414     const boost::function<void(const bondIds_t &)> &_bondsubjectKilled)
    415 {
    416   /* This is an old note from when the code was still part of cstor's initializer body.
    417    * TODO: Probably does not apply anymore but has not yet been tested.
    418    *
    419    * We must not use boost::cref(this) as "this" has not been properly constructed and seemingly
    420    * boost::cref tries to do some magic to grasp the inheritance hierarchy which fails because
    421    * the class has not been fully constructed yet. "This" itself seems to be working fine.
    422    */
    423 
    424   ASSERT( _ObservedValues.size() == MAX_ObservedTypes,
    425       "GLMoleculeObject_bond::initObservedValues() - given ObservedValues has not correct size.");
    426 
    427   // fill ObservedValues: index first
    428   // Note that we only need one as the function just checks on the last changed id
    429   // and ids cannot be changed simultaneously
    430   const boost::function<atomId_t ()> AtomIndexUpdater(
    431       boost::bind(&GLMoleculeObject_bond::updateIndex));
    432 
    433   ObservedValue_wCallback<atomId_t> * const LeftIndexObservable =
    434       new ObservedValue_wCallback<atomId_t>(
    435         _leftowner,
    436         AtomIndexUpdater,
    437         "Bonds_LeftAtomIndex_"+toString(_leftatomId),
    438         _leftatomId,
    439         IndexChannels,
    440         _leftsubjectKilled);
    441   _ObservedValues[leftIndex] = LeftIndexObservable;
    442   ObservedValue_wCallback<atomId_t> * const RightIndexObservable =
    443       new ObservedValue_wCallback<atomId_t>(
    444         _rightowner,
    445         AtomIndexUpdater,
    446         "Bonds_RightAtomIndex_"+toString(_rightatomId),
    447         _rightatomId,
    448         IndexChannels,
    449         _rightsubjectKilled);
    450   _ObservedValues[rightIndex] = RightIndexObservable;
    451 
    452   const boost::function<const atomId_t ()> LeftIndexGetter =
    453       boost::bind(&ObservedValue_wCallback<atomId_t>::get,
    454           LeftIndexObservable);
    455   const boost::function<const atomId_t ()> RightIndexGetter =
    456       boost::bind(&ObservedValue_wCallback<atomId_t>::get,
    457           RightIndexObservable);
    458 
    459   // fill ObservedValues: then all the other that need index
    460   const boost::function<Vector ()> LeftPositionUpdater(
    461       boost::bind(&GLMoleculeObject_bond::updateLeftPosition, LeftIndexGetter));
    462   const boost::function<Vector ()> RightPositionUpdater(
    463       boost::bind(&GLMoleculeObject_bond::updateRightPosition, RightIndexGetter));
    464   const boost::function<atomicNumber_t ()> LeftElementUpdater(
    465       boost::bind(&GLMoleculeObject_bond::updateLeftElement, LeftIndexGetter));
    466   const boost::function<atomicNumber_t ()> RightElementUpdater(
    467       boost::bind(&GLMoleculeObject_bond::updateRightElement, RightIndexGetter));
    468   const boost::function<int ()> DegreeUpdater(
    469       boost::bind(&GLMoleculeObject_bond::updateDegree, LeftIndexGetter, RightIndexGetter));
    470   const boost::function<bondIds_t ()> BondIdGetter(
    471       boost::bind(&getBondIdsForIds, LeftIndexGetter, RightIndexGetter));
    472 
    473   _ObservedValues[leftPosition] = new ObservedValue_wCallback<Vector, atomId_t>(
    474       _leftowner,
    475       LeftPositionUpdater,
    476       "BondleftPosition_"+toString(_leftatomId),
    477       LeftPositionUpdater(),
    478       BondPositionChannels,
    479       _leftsubjectKilled,
    480       LeftIndexGetter);
    481   _ObservedValues[rightPosition] = new ObservedValue_wCallback<Vector, atomId_t>(
    482       _rightowner,
    483       RightPositionUpdater,
    484       "BondrightPosition_"+toString(_rightatomId),
    485       RightPositionUpdater(),
    486       BondPositionChannels,
    487       _rightsubjectKilled,
    488       RightIndexGetter);
    489   _ObservedValues[leftElement] = new ObservedValue_wCallback<atomicNumber_t, atomId_t>(
    490       _leftowner,
    491       LeftElementUpdater,
    492       "BondleftElement"+toString(_leftatomId),
    493       LeftElementUpdater(),
    494       BondElementChannels,
    495       _leftsubjectKilled,
    496       LeftIndexGetter);
    497   _ObservedValues[rightElement] = new ObservedValue_wCallback<atomicNumber_t, atomId_t>(
    498       _rightowner,
    499       RightElementUpdater,
    500       "BondrightElement"+toString(_rightatomId),
    501       RightElementUpdater(),
    502       BondElementChannels,
    503       _rightsubjectKilled,
    504       RightIndexGetter);
    505   _ObservedValues[Degree] = new ObservedValue_wCallback<int, bondIds_t>(
    506       _bondowner,
    507       DegreeUpdater,
    508       "BondDegree"+toString(_leftatomId)+"_"+toString(_rightatomId),
    509       DegreeUpdater(),
    510       BondDegreeChannels,
    511       _bondsubjectKilled,
    512       BondIdGetter);
    513 }
    514 
    515 void GLMoleculeObject_bond::destroyObservedValues(
    516     std::vector<boost::any> &_ObservedValues)
    517 {
    518   delete boost::any_cast<ObservedValue_wCallback<atomId_t> *>(_ObservedValues[leftIndex]);
    519   delete boost::any_cast<ObservedValue_wCallback<atomId_t> *>(_ObservedValues[rightIndex]);
    520   delete boost::any_cast<ObservedValue_wCallback<Vector,atomId_t> *>(_ObservedValues[leftPosition]);
    521   delete boost::any_cast<ObservedValue_wCallback<Vector,atomId_t> *>(_ObservedValues[rightPosition]);
    522   delete boost::any_cast<ObservedValue_wCallback<atomicNumber_t,atomId_t> *>(_ObservedValues[leftElement]);
    523   delete boost::any_cast<ObservedValue_wCallback<atomicNumber_t,atomId_t> *>(_ObservedValues[rightElement]);
    524   delete boost::any_cast<ObservedValue_wCallback<int, bondIds_t> *>(_ObservedValues[Degree]);
    525   _ObservedValues.clear();
    526 }
    527 
    528 const atomId_t& GLMoleculeObject_bond::getleftIndex() const
    529 {
    530   return boost::any_cast<ObservedValue_wCallback<atomId_t> *>(ObservedValues[leftIndex])->get();
    531 }
    532 
    533 const atomId_t& GLMoleculeObject_bond::getrightIndex() const
    534 {
    535   return boost::any_cast<ObservedValue_wCallback<atomId_t> *>(ObservedValues[rightIndex])->get();
    536 }
    537 
    538 const Vector& GLMoleculeObject_bond::getleftPosition() const
    539 {
    540   return boost::any_cast<ObservedValue_wCallback<Vector,atomId_t> *>(ObservedValues[leftPosition])->get();
    541 }
    542 
    543 const Vector& GLMoleculeObject_bond::getrightPosition() const
    544 {
    545   return boost::any_cast<ObservedValue_wCallback<Vector, atomId_t> *>(ObservedValues[rightPosition])->get();
    546 }
    547 
    548 const atomicNumber_t& GLMoleculeObject_bond::getleftElement() const
    549 {
    550   return boost::any_cast<ObservedValue_wCallback<atomicNumber_t, atomId_t> *>(ObservedValues[leftElement])->get();
    551 }
    552 
    553 const atomicNumber_t& GLMoleculeObject_bond::getrightElement() const
    554 {
    555   return boost::any_cast<ObservedValue_wCallback<atomicNumber_t, atomId_t> *>(ObservedValues[rightElement])->get();
    556 }
    557 
    558 const int& GLMoleculeObject_bond::getDegree() const
    559 {
    560   return boost::any_cast<ObservedValue_wCallback<int, bondIds_t> *>(ObservedValues[Degree])->get();
    561 }
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