Changeset 502614 for src/UIElements


Ignore:
Timestamp:
Apr 20, 2016, 11:07:47 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:
a13f2b
Parents:
6e1628
git-author:
Frederik Heber <heber@…> (04/12/16 18:19:47)
git-committer:
Frederik Heber <heber@…> (04/20/16 23:07:47)
Message:

GLWorldScene's parent maps now store the parent as ObservedValue_Index_t.

  • this will allow to change them into a bimap and then browse through them with the index of a newly instantiated GLMoleculeObject_molecule in order to assign them a proper parent.
Location:
src/UIElements/Views/Qt4/Qt3D
Files:
2 edited

Legend:

Unmodified
Added
Removed

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

    r6e1628 r502614  
    164164    const ObservedValue_Index_t atomid = _atom->getIndex();
    165165    boost::recursive_mutex::scoped_lock lock(AtomNodeParentMap_mutex);
    166     AtomNodeParentMap[atomid] = static_cast<QObject *>(this);
     166    AtomNodeParentMap.insert( std::make_pair(atomid, (ObservedValue_Index_t)NULL) );
    167167  }
    168168
    … …  
    185185    boost::recursive_mutex::scoped_lock lock(AtomNodeParentMap_mutex);
    186186    AtomNodeParentMap_t::iterator parentiter = AtomNodeParentMap.find(atomid);
    187     if (parentiter != AtomNodeParentMap.end())
    188       parent = parentiter->second;
    189     else
    190       AtomNodeParentMap[atomid] = parent;
     187    ASSERT (parentiter != AtomNodeParentMap.end(),
     188        "GLWorldScene::insertAtom() - parent to atom id "+toString(atomid)+" unknown?");
     189    const ObservedValue_Index_t parentindex = parentiter->second;
     190    if (parentindex != (ObservedValue_Index_t)NULL) {
     191      const MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(parentindex);
     192      if (moliter != MoleculesinSceneMap.end())
     193        parent = moliter->second;
     194    }
    191195
    192196    atomObject = new GLMoleculeObject_atom(
    … …  
    252256    const ObservedValue_Index_t bondid = _bond->getIndex();
    253257    boost::recursive_mutex::scoped_lock lock(BondNodeParentMap_mutex);
    254     std::vector<QObject *> parents(2, static_cast<QObject *>(this));
    255     if ((_bond->getLeftAtom() != NULL) && (_bond->getLeftAtom()->getMoleculeRef() != NULL)) {
    256       const ObservedValue_Index_t molid = _bond->getLeftAtom()->getMoleculeRef()->getIndex();
    257       const MoleculeNodeMap::iterator leftiter = MoleculesinSceneMap.find(molid);
    258       if (leftiter != MoleculesinSceneMap.end())
    259         parents[0] = leftiter->second;
    260     }
    261     if ((_bond->getRightAtom() != NULL) && (_bond->getRightAtom()->getMoleculeRef() != NULL)) {
    262       const ObservedValue_Index_t molid = _bond->getRightAtom()->getMoleculeRef()->getIndex();
    263       const MoleculeNodeMap::iterator leftiter = MoleculesinSceneMap.find(molid);
    264       if (leftiter != MoleculesinSceneMap.end())
    265         parents[1] = leftiter->second;
    266     }
     258    std::vector<ObservedValue_Index_t> parents(2, (ObservedValue_Index_t)NULL);
     259    if ((_bond->getLeftAtom() != NULL) && (_bond->getLeftAtom()->getMoleculeRef() != NULL))
     260      parents[0] = _bond->getLeftAtom()->getMoleculeRef()->getIndex();
     261    if ((_bond->getRightAtom() != NULL) && (_bond->getRightAtom()->getMoleculeRef() != NULL))
     262      parents[1] = _bond->getRightAtom()->getMoleculeRef()->getIndex();
    267263    BondNodeParentMap.insert( std::make_pair(bondid, parents) );
    268264  }
    … …  
    288284    boost::recursive_mutex::scoped_lock lock(BondNodeParentMap_mutex);
    289285    BondNodeParentMap_t::iterator parentiter = BondNodeParentMap.find(bondid);
    290     if (parentiter != BondNodeParentMap.end()) {
    291       parents = parentiter->second;
    292     } else
    293       BondNodeParentMap.insert( std::make_pair(bondid, parents) );
     286    ASSERT (parentiter != BondNodeParentMap.end(),
     287        "GLWorldScene::insertBond() - parent to bond id "+toString(bondid)+" unknown?");
     288    const std::vector<ObservedValue_Index_t> &molindices = parentiter->second;
     289    for (size_t i = 0; i < molindices.size(); ++i) {
     290      if (molindices[i] != (ObservedValue_Index_t)NULL) {
     291        const MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molindices[i]);
     292        if (moliter != MoleculesinSceneMap.end())
     293          parents[i] = moliter->second;
     294      }
     295    }
    294296
    295297    BondNodeMap::iterator iter = BondsinSceneMap.find(bondid);
    … …  
    464466  ASSERT( parentiter != AtomNodeParentMap.end(),
    465467      "GLWorldScene::reparentAtom() - could not find object to id "+toString(walkerid));
     468
     469  // change parent entry
     470  if (walker->getMoleculeRef() != NULL)
     471    parentiter->second = walker->getMoleculeRef()->getIndex();
     472  else
     473    parentiter->second = NULL;
     474  parentiter = AtomNodeParentMap.find(walkerid);
     475
     476  // reset parent if atom exists
    466477  AtomNodeMap::iterator atomiter = AtomsinSceneMap.find(walkerid);
    467   ASSERT( atomiter != AtomsinSceneMap.end(),
    468       "GLWorldScene::reparentAtom() - could not find GLMoleculeObject to id "+toString(walkerid));
    469   if (walker->getMoleculeRef() != NULL) {
    470     const ObservedValue_Index_t molid = walker->getMoleculeRef()->getIndex();
    471     MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
    472     if (moliter != MoleculesinSceneMap.end()) {
    473       parentiter->second = moliter->second;
    474       atomiter->second->setParent(moliter->second);
    475     } else {
    476       // associated molecule has not yet been instantiated, keep in mind
    477       ASSERT(0,
    478           "GLWorldScene::reparentAtom() - new molecule not present yet?");
     478  if (atomiter != AtomsinSceneMap.end()) {
     479    QObject *parent = this;
     480    if (parentiter->second != NULL) {
     481      MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(parentiter->second);
     482      if (moliter != MoleculesinSceneMap.end())
     483        parent = moliter->second;
     484      else {
     485        // molecule does not yet exist
     486        ASSERT(0, "GLWorldScene::reparentAtom() - molecule not existent not implemented.");
     487      }
    479488    }
    480   } else {
    481     parentiter->second = static_cast<QObject*>(this);
    482     atomiter->second->setParent(this);
    483   }
     489    atomiter->second->setParent(parent);
     490  }
     491}
     492
     493/** Changes the parent of an left-side bond in the scene.
     494 *
     495 */
     496void GLWorldScene::reparentBondLeft()
     497{
     498  boost::recursive_mutex::scoped_lock lock(BondNodeParentMap_mutex);
     499  QtObservedBond *bond = dynamic_cast<QtObservedBond *>(sender());
     500  reparentBond(bond, bond->getLeftAtom(), GLMoleculeObject_bond::left);
     501}
     502
     503/** Changes the parent of an right-side bond in the scene.
     504 *
     505 */
     506void GLWorldScene::reparentBondRight()
     507{
     508  boost::recursive_mutex::scoped_lock lock(BondNodeParentMap_mutex);
     509  QtObservedBond *bond = dynamic_cast<QtObservedBond *>(sender());
     510  reparentBond(bond, bond->getRightAtom(), GLMoleculeObject_bond::right);
     511}
     512
     513GLMoleculeObject_bond *GLWorldScene::getBondInScene(
     514    const ObservedValue_Index_t _bondid,
     515    GLMoleculeObject_bond::SideOfBond _side) const
     516{
     517  std::pair<GLWorldScene::BondNodeMap::const_iterator, GLWorldScene::BondNodeMap::const_iterator> iters =
     518      BondsinSceneMap.equal_range(_bondid);
     519  ASSERT( std::distance(iters.first, iters.second) == 2,
     520      "GLWorldScene::getBondInScene() - not exactly two bonds of same id "
     521      +toString(_bondid)+" present in scene.");
     522  for (GLWorldScene::BondNodeMap::const_iterator bonditer = iters.first;
     523      bonditer != iters.second; ++bonditer) {
     524    if (bonditer->second->BondSide == _side)
     525      return bonditer->second;
     526  }
     527  return NULL;
    484528}
    485529
    486530/** Changes the parent of an object in the scene.
    487531 *
    488  * \param _id index of the object whose parent to change
    489  * \param _ob new parent
    490  */
    491 void GLWorldScene::reparentBondLeft()
    492 {
    493   QtObservedBond *bond = dynamic_cast<QtObservedBond *>(sender());
     532 * \param _atom atom of bond whose molecule we are associated to
     533 * \param _side side of bond
     534 */
     535void GLWorldScene::reparentBond(
     536    QtObservedBond *_bond,
     537    const QtObservedAtom * const _atom,
     538    const GLMoleculeObject_bond::SideOfBond _side)
     539{
    494540  boost::recursive_mutex::scoped_lock lock(BondNodeParentMap_mutex);
    495   const ObservedValue_Index_t bondid = bond->getIndex();
     541  const ObservedValue_Index_t bondid = _bond->getIndex();
    496542  BondNodeParentMap_t::iterator parentiter = BondNodeParentMap.find(bondid);
    497543  ASSERT( parentiter != BondNodeParentMap.end(),
    498       "GLWorldScene::reparentBondLeft() - could not find object to id "+toString(bondid));
    499   BondNodeMap::iterator bonditer = BondsinSceneMap.find(bondid);
    500   ASSERT( bonditer != BondsinSceneMap.end(),
    501       "GLWorldScene::reparentBondLeft() - could not find GLMoleculeObject to id "+toString(bondid));
    502   if (bonditer->second->BondSide != GLMoleculeObject_bond::left)
    503     ++bonditer;
    504   ASSERT( (bonditer->first == bondid)
    505       && (bonditer->second->BondSide == GLMoleculeObject_bond::left),
    506       "GLWorldScene::reparentBondLeft() - could not find left-side bond.");
    507   if ((bond->getLeftAtom() != NULL) && (bond->getLeftAtom()->getMoleculeRef() != NULL)) {
    508     const ObservedValue_Index_t molid = bond->getLeftAtom()->getMoleculeRef()->getIndex();
    509     MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
    510     if (moliter != MoleculesinSceneMap.end()) {
    511       parentiter->second[0] = moliter->second;
    512       bonditer->second->setParent(moliter->second);
    513     } else {
    514       // associated molecule has not yet been instantiated, keep in mind
    515       ASSERT(0,
    516           "GLWorldScene::reparentBondLeft() - new molecule not present yet?");
     544      "GLWorldScene::reparentBond() - could not find object to id "+toString(bondid));
     545
     546  // change parent entry
     547  const size_t dim = (_side == GLMoleculeObject_bond::left) ? 0 : 1;
     548  if ((_atom != NULL) && (_atom->getMoleculeRef() != NULL))
     549    parentiter->second[dim] = _atom->getMoleculeRef()->getIndex();
     550  else
     551    parentiter->second[dim] = NULL;
     552
     553  // reset parent
     554  GLMoleculeObject_bond *bondobj = getBondInScene(bondid, _side);
     555  if (bondobj != NULL) {
     556    QObject *parent = this;
     557    if (parentiter->second[dim] != NULL) {
     558      MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(parentiter->second[dim]);
     559      if (moliter != MoleculesinSceneMap.end())
     560        parent = moliter->second;
     561      else {
     562        // molecule does not yet exist
     563        ASSERT(0, "GLWorldScene::reparentAtom() - molecule not existent not implemented.");
     564      }
    517565    }
    518   } else {
    519     parentiter->second[0] = static_cast<QObject*>(this);
    520     bonditer->second->setParent(this);
    521   }
    522 }
    523 
    524 /** Changes the parent of an object in the scene.
    525  *
    526  * \param _id index of the object whose parent to change
    527  * \param _ob new parent
    528  */
    529 void GLWorldScene::reparentBondRight()
    530 {
    531   QtObservedBond *bond = dynamic_cast<QtObservedBond *>(sender());
    532   boost::recursive_mutex::scoped_lock lock(BondNodeParentMap_mutex);
    533   const ObservedValue_Index_t bondid = bond->getIndex();
    534   BondNodeParentMap_t::iterator parentiter = BondNodeParentMap.find(bondid);
    535   ASSERT( parentiter != BondNodeParentMap.end(),
    536       "GLWorldScene::reparentBondLeft() - could not find object to id "+toString(bondid));
    537   BondNodeMap::iterator bonditer = BondsinSceneMap.find(bondid);
    538   ASSERT( bonditer != BondsinSceneMap.end(),
    539       "GLWorldScene::reparentBondLeft() - could not find GLMoleculeObject to id "+toString(bondid));
    540   if (bonditer->second->BondSide != GLMoleculeObject_bond::right)
    541     ++bonditer;
    542   ASSERT( (bonditer->first == bondid)
    543       && (bonditer->second->BondSide == GLMoleculeObject_bond::right),
    544       "GLWorldScene::reparentBondLeft() - could not find right-side bond.");
    545   if ((bond->getRightAtom() != NULL) && (bond->getRightAtom()->getMoleculeRef() != NULL)) {
    546     const ObservedValue_Index_t molid = bond->getRightAtom()->getMoleculeRef()->getIndex();
    547     MoleculeNodeMap::iterator moliter = MoleculesinSceneMap.find(molid);
    548     if (moliter != MoleculesinSceneMap.end()) {
    549       parentiter->second[1] = moliter->second;
    550       bonditer->second->setParent(moliter->second);
    551     } else {
    552       // associated molecule has not yet been instantiated, keep in mind
    553       ASSERT(0,
    554           "GLWorldScene::reparentBondRight() - new molecule not present yet?");
    555     }
    556   } else {
    557     parentiter->second[1] = static_cast<QObject*>(this);
    558     bonditer->second->setParent(this);
     566    bondobj->setParent(parent);
    559567  }
    560568}

  • src/UIElements/Views/Qt4/Qt3D/GLWorldScene.hpp

    r6e1628 r502614  
    116116  void reparentBondRight();
    117117
     118private:
     119  void reparentBond(
     120      QtObservedBond *_bond,
     121      const QtObservedAtom * const _atom,
     122      const GLMoleculeObject_bond::SideOfBond _side);
     123
     124  GLMoleculeObject_bond *getBondInScene(
     125      const ObservedValue_Index_t _bondid,
     126      GLMoleculeObject_bond::SideOfBond _side) const;
     127
    118128public:
    119129  void updateSelectedShapes();
    … …  
    129139  typedef std::map< std::string , GLMoleculeObject_shape* > ShapeNodeMap;
    130140
    131   //!> typedef for storing the current parent to each node in scene
    132   typedef std::map<ObservedValue_Index_t, QObject *> AtomNodeParentMap_t;
    133   typedef std::map<ObservedValue_Index_t, std::vector<QObject *> > BondNodeParentMap_t;
     141  //!> typedef for storing the current parent to each atom node in scene, NULL indicates GLWorldScene is parent
     142  typedef std::map<ObservedValue_Index_t, ObservedValue_Index_t> AtomNodeParentMap_t;
     143  //!> typedef for storing the current parent to each bond node in scene, NULL indicates GLWorldScene is parent
     144  typedef std::map<ObservedValue_Index_t, std::vector<ObservedValue_Index_t> > BondNodeParentMap_t;
    134145
    135146  //!> mutex to ascertain atomic access to NodeParentMaps
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