Changeset f01769 for src/UIElements


Ignore:
Timestamp:
Jul 24, 2015, 4:44:34 PM (10 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:
a58c16
Parents:
1259df
git-author:
Frederik Heber <heber@…> (06/01/15 16:57:36)
git-committer:
Frederik Heber <heber@…> (07/24/15 16:44:34)
Message:

Replaced World::getAtom() wherever possible by const version.

  • some AtomSet member functions now have const atom ptr instead of atom ptr.
  • molecule can return const and non-const AtomSet.
  • added FromIdToConstAtom to allow iterate through atoms in molecule (which are stored by id, not by ptr) in const fashion.
  • in molecule::isInMolecule() is now const, ::CopyMolecule..() is non-const (because copying involves father atom who is stored non-const).
Location:
src/UIElements
Files:
14 edited

Legend:

Unmodified
Added
Removed

  • src/UIElements/CommandLineUI/Query/AtomCommandLineQuery.cpp

    r1259df rf01769  
    6464      return false;
    6565    }
    66     temp = World::getInstance().getAtom(AtomById(IdxOfAtom));
     66    temp = const_cast<const World &>(World::getInstance()).getAtom(AtomById(IdxOfAtom));
    6767    return true;
    6868  }

  • src/UIElements/CommandLineUI/Query/AtomsCommandLineQuery.cpp

    r1259df rf01769  
    6161    const atom *temp_element;
    6262    for (std::vector<int>::iterator iter = IdxOfAtom.begin(); iter != IdxOfAtom.end(); ++iter) {
    63       temp_element = World::getInstance().getAtom(AtomById(*iter));
     63      temp_element = const_cast<const World &>(World::getInstance()).getAtom(AtomById(*iter));
    6464      if (temp_element)
    6565        temp.push_back(temp_element);

  • src/UIElements/CommandLineUI/Query/MoleculeCommandLineQuery.cpp

    r1259df rf01769  
    5959      return false;
    6060    }
    61     temp = World::getInstance().getMolecule(MoleculeById(IdxOfMol));
     61    temp = const_cast<const World &>(World::getInstance()).getMolecule(MoleculeById(IdxOfMol));
    6262    return true;
    6363  }

  • src/UIElements/Qt4/Query/AtomQtQuery.cpp

    r1259df rf01769  
    7373  QVariant data = inputBox->itemData(newIndex);
    7474  int idx = data.toInt();
    75   temp = World::getInstance().getAtom(AtomById(idx));
     75  temp = const_cast<const World &>(World::getInstance()).getAtom(AtomById(idx));
    7676  dialog->update();
    7777}

  • src/UIElements/Qt4/Query/MoleculeQtQuery.cpp

    r1259df rf01769  
    7878  QVariant data = inputBox->itemData(newIndex);
    7979  int idx = data.toInt();
    80   temp = World::getInstance().getMolecule(MoleculeById(idx));
     80  temp = const_cast<const World &>(World::getInstance()).getMolecule(MoleculeById(idx));
    8181  dialog->update();
    8282}

  • src/UIElements/TextUI/Query/AtomTextQuery.cpp

    r1259df rf01769  
    6666    }
    6767
    68     temp = World::getInstance().getAtom(AtomById(idxOfAtom));
     68    temp = const_cast<const World &>(World::getInstance()).getAtom(AtomById(idxOfAtom));
    6969    if(!temp && idxOfAtom!=-1){
    7070      std::cout << "Invalid Atom Index" << idxOfAtom << std::endl;

  • src/UIElements/TextUI/Query/AtomsTextQuery.cpp

    r1259df rf01769  
    6464      std::istringstream stream(std::string(iter, olditer));
    6565      stream >> idxOfAtom;
    66       temp_element = World::getInstance().getAtom(AtomById(idxOfAtom));
     66      temp_element = const_cast<const World &>(World::getInstance()).getAtom(AtomById(idxOfAtom));
    6767      if(!temp_element && idxOfAtom!=-1){
    6868        std::cout << "Invalid Atom Index" << idxOfAtom << std::endl;
    … …  
    7676    std::istringstream stream(std::string(olditer, line.end()));
    7777    stream >> idxOfAtom;
    78     temp_element = World::getInstance().getAtom(AtomById(idxOfAtom));
     78    temp_element = const_cast<const World &>(World::getInstance()).getAtom(AtomById(idxOfAtom));
    7979    if(!temp_element && idxOfAtom!=-1) {
    8080      std::cout << "Invalid Atom Index" << idxOfAtom << std::endl;

  • src/UIElements/TextUI/Query/MoleculeTextQuery.cpp

    r1259df rf01769  
    6767    }
    6868
    69     temp = World::getInstance().getMolecule(MoleculeById(idxOfMol));
     69    temp = const_cast<const World &>(World::getInstance()).getMolecule(MoleculeById(idxOfMol));
    7070    if(!temp && idxOfMol!=-1){
    7171      std::cout << "Invalid Molecule Index" << std::endl;

  • src/UIElements/TextUI/Query/MoleculesTextQuery.cpp

    r1259df rf01769  
    6464      std::istringstream stream(std::string(iter, olditer));
    6565      stream >> idxOfMol;
    66       temp_element = World::getInstance().getMolecule(MoleculeById(idxOfMol));
     66      temp_element = const_cast<const World &>(World::getInstance()).getMolecule(MoleculeById(idxOfMol));
    6767      if(!temp_element && idxOfMol!=-1){
    6868        std::cout << "Invalid Molecule Index" << idxOfMol << std::endl;
    … …  
    7676    std::istringstream stream(std::string(olditer, line.end()));
    7777    stream >> idxOfMol;
    78     temp_element = World::getInstance().getMolecule(MoleculeById(idxOfMol));
     78    temp_element = const_cast<const World &>(World::getInstance()).getMolecule(MoleculeById(idxOfMol));
    7979    if(!temp_element && idxOfMol!=-1){
    8080      std::cout << "Invalid Molecule Index" << idxOfMol << std::endl;

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

    r1259df rf01769  
    6161{
    6262  // sign on as observer (obtain non-const instance before)
    63   const atom *_atom = World::getInstance().getAtom(AtomById(atomicid));
     63  const atom * const _atom = const_cast<const World &>(World::getInstance()).
     64      getAtom(AtomById(atomicid));
    6465  if (_atom != NULL) {
    6566    _atom->signOn(this, AtomObservable::IndexChanged);
    … …  
    8283GLMoleculeObject_atom::~GLMoleculeObject_atom()
    8384{
    84   const atom *_atom = World::getInstance().getAtom(AtomById(atomicid));
     85  const atom * const _atom = const_cast<const World &>(World::getInstance()).
     86      getAtom(AtomById(atomicid));
    8587  if (_atom != NULL){
    8688    _atom->signOff(this, AtomObservable::IndexChanged);
    … …  
    102104void GLMoleculeObject_atom::resetPosition()
    103105{
    104   const atom *_atom = World::getInstance().getAtom(AtomById(atomicid));
     106  const atom * const _atom = const_cast<const World &>(World::getInstance()).
     107      getAtom(AtomById(atomicid));
    105108  if (_atom != NULL) {
    106109    const Vector Position = _atom->getPosition();
    … …  
    116119{
    117120  size_t elementno = 0;
    118   const atom *_atom = World::getInstance().getAtom(AtomById(atomicid));
     121  const atom * const _atom = const_cast<const World &>(World::getInstance()).
     122      getAtom(AtomById(atomicid));
    119123  const element *_type = NULL;
    120124  if (_atom != NULL) {
    … …  
    192196void GLMoleculeObject_atom::recieveNotification(Observable *publisher, Notification_ptr notification)
    193197{
    194   const atom *_atom = World::getInstance().getAtom(AtomById(atomicid));
     198  const atom * const _atom = const_cast<const World &>(World::getInstance()).
     199      getAtom(AtomById(atomicid));
    195200  if (publisher == dynamic_cast<const Observable*>(_atom)){
    196201    // notofication from atom
    … …  
    212217      case AtomObservable::BondsAdded:
    213218      {
    214         const atom *_atom = World::getInstance().getAtom(AtomById(atomicid));
     219        const atom * const _atom = const_cast<const World &>(World::getInstance()).
     220            getAtom(AtomById(atomicid));
    215221        if (_atom != NULL) {
    216222          // make sure position is up-to-date

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

    r1259df rf01769  
    9191    case left:
    9292    {
    93       const atom *_rightatom = World::getInstance().getAtom(AtomById(rightatomId));
     93      const atom * const _rightatom = const_cast<const World &>(World::getInstance()).
     94          getAtom(AtomById(rightatomId));
    9495      if (_rightatom->getType() != NULL) {
    9596        elementno = _rightatom->getType()->getAtomicNumber();
    … …  
    101102    case right:
    102103    {
    103       const atom *_leftatom = World::getInstance().getAtom(AtomById(leftatomId));
     104      const atom * const _leftatom = const_cast<const World &>(World::getInstance()).
     105          getAtom(AtomById(leftatomId));
    104106      if (_leftatom->getType() != NULL) {
    105107        elementno = _leftatom->getType()->getAtomicNumber();
    … …  
    138140  // from the AtomObservable itself
    139141  if (leftobservable_enabled) {
    140     const atom *_leftatom = World::getInstance().getAtom(AtomById(leftatomId));
     142    const atom * const _leftatom = const_cast<const World &>(World::getInstance()).
     143        getAtom(AtomById(leftatomId));
    141144    if (_leftatom != NULL) {
    142145      _leftatom->signOff(this);
    … …  
    152155  // from the AtomObservable itself
    153156  if (rightobservable_enabled) {
    154     const atom *_rightatom = World::getInstance().getAtom(AtomById(rightatomId));
     157    const atom * const _rightatom = const_cast<const World &>(World::getInstance()).
     158        getAtom(AtomById(rightatomId));
    155159    if (_rightatom != NULL) {
    156160      _rightatom->signOff(this);
    … …  
    172176  // from the AtomObservable itself
    173177  if (leftobservable_enabled) {
    174     const atom *_leftatom = World::getInstance().getAtom(AtomById(leftatomId));
     178    const atom * const _leftatom = const_cast<const World &>(World::getInstance()).
     179        getAtom(AtomById(leftatomId));
    175180    if (_leftatom != NULL) {
    176181      _leftatom->signOff(this, AtomObservable::PositionChanged);
    … …  
    182187  }
    183188  if (rightobservable_enabled) {
    184     const atom *_rightatom = World::getInstance().getAtom(AtomById(rightatomId));
     189    const atom * const _rightatom = const_cast<const World &>(World::getInstance()).
     190        getAtom(AtomById(rightatomId));
    185191    if (_rightatom != NULL) {
    186192      _rightatom->signOff(this, AtomObservable::PositionChanged);
    … …  
    349355  Vector Position;
    350356  Vector OtherPosition;
    351   const atom *_leftatom = World::getInstance().getAtom(AtomById(leftatomId));
     357  const atom * const _leftatom = const_cast<const World &>(World::getInstance()).
     358      getAtom(AtomById(leftatomId));
    352359  Vector LeftPos = _leftatom->getPosition();
    353   const atom *_rightatom = World::getInstance().getAtom(AtomById(rightatomId));
     360  const atom * const _rightatom = const_cast<const World &>(World::getInstance()).
     361      getAtom(AtomById(rightatomId));
    354362  Vector RightPos = _rightatom->getPosition();
    355363  switch (BondSide) {

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

    r1259df rf01769  
    567567
    568568  // add all bonds
    569   const atom *Walker = World::getInstance().getAtom(AtomById(_id));
     569  const atom * const Walker = const_cast<const World &>(World::getInstance()).
     570      getAtom(AtomById(_id));
    570571  if (Walker != NULL)
    571572    addAtomBonds(Walker);

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

    r1259df rf01769  
    143143{
    144144   LOG(3, "INFO: GLMoleculeObject_molecule - atom " << no << " has been clicked.");
    145    const atom *Walker = World::getInstance().getAtom(AtomById(no));
     145   const atom * const Walker = const_cast<const World &>(World::getInstance()).
     146       getAtom(AtomById(no));
    146147   if (selectionMode == SelectAtom){
    147148     if (!World::getInstance().isSelected(Walker))
    … …  
    184185  LOG(3, "INFO: GLWorldScene: Received signal atomInserted for atom "+toString(_id)+".");
    185186  // find associated molecule
    186   const atom *_atom = World::getInstance().getAtom(AtomById(_id));
     187  const atom * const _atom = const_cast<const World &>(World::getInstance()).
     188      getAtom(AtomById(_id));
    187189  if (_atom != NULL) {
    188190    const moleculeId_t molid = _atom->getMolecule()->getId();

  • src/UIElements/Views/Qt4/QtFragmentList.cpp

    r1259df rf01769  
    133133          indexiter != (*keyiter)->end();
    134134          ++indexiter) {
    135         const atom *_atom = World::getInstance().getAtom(AtomById(*indexiter));
     135        const atom * const _atom = const_cast<const World &>(World::getInstance()).
     136            getAtom(AtomById(*indexiter));
    136137        if (_atom != NULL)
    137138          formula.addElements(_atom->getElementNo(), 1);
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