Changeset a58c16 for src/Actions


Ignore:
Timestamp:
Jul 24, 2015, 4:44:35 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:
99db9b
Parents:
f01769
git-author:
Frederik Heber <heber@…> (06/01/15 19:16:02)
git-committer:
Frederik Heber <heber@…> (07/24/15 16:44:35)
Message:

Replaced World::getAllAtoms() by const version where possible.

Location:
src/Actions
Files:
19 edited

Legend:

Unmodified
Added
Removed

  • src/Actions/AnalysisAction/PairCorrelationAction.cpp

    rf01769 ra58c16  
    7171      "AnalysisPairCorrelationAction::performCall() - Exactly two elements are required for pair correlation.");
    7272  std::vector<const element *>::const_iterator elemiter = params.elements.get().begin();
    73   const World::AtomComposite atoms_first = World::getInstance().getAllAtoms(AtomByType(*(elemiter++)));
    74   const World::AtomComposite atoms_second = World::getInstance().getAllAtoms(AtomByType(*(elemiter++)));
     73  const World::ConstAtomComposite atoms_first =
     74      const_cast<const World &>(World::getInstance()).getAllAtoms(AtomByType(*(elemiter++)));
     75  const World::ConstAtomComposite atoms_second =
     76      const_cast<const World &>(World::getInstance()).getAllAtoms(AtomByType(*(elemiter++)));
    7577  ASSERT(elemiter == params.elements.get().end(),
    7678      "AnalysisPairCorrelationAction::performCall() - Exactly two elements are required for pair correlation.");

  • src/Actions/FragmentationAction/AnalyseFragmentationResultsAction.cpp

    rf01769 ra58c16  
    594594
    595595  // adding obtained forces
    596   if ( World::getInstance().getAllAtoms().size() != 0) {
     596  if ( const_cast<const World &>(World::getInstance()).getAllAtoms().size() != 0) {
    597597    const IndexedVectors::indexedvectors_t forces =
    598598        boost::fusion::at_key<MPQCDataFused::forces>(
    … …  
    624624#if defined(HAVE_JOBMARKET) && defined(HAVE_VMG)
    625625  if (DoLongrange) {
    626     if ( World::getInstance().getAllAtoms().size() == 0) {
     626    if ( const_cast<const World &>(World::getInstance()).getAllAtoms().size() == 0) {
    627627      STATUS("Please load the full molecule intostd::map<JobId_t, VMGData> longrangeData the world before starting this action.");
    628628      return Action::failure;

  • src/Actions/FragmentationAction/FragmentationAutomationAction.cpp

    rf01769 ra58c16  
    213213#if defined(HAVE_JOBMARKET) && defined(HAVE_VMG)
    214214  if (params.DoLongrange.get()) {
    215   if ( World::getInstance().getAllAtoms().size() == 0) {
     215  if ( const_cast<const World &>(World::getInstance()).getAllAtoms().size() == 0) {
    216216    STATUS("Please load the full molecule into the world before starting this action.");
    217217    return Action::failure;

  • src/Actions/GraphAction/CorrectBondDegreeAction.cpp

    rf01769 ra58c16  
    6767
    6868  // count all present bonds
    69   World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection());
     69  World::ConstAtomComposite Set = const_cast<const World &>(World::getInstance()).
     70      getAllAtoms(AtomsBySelection());
    7071  std::vector<BondInfo_t> bonds;
    7172  {
    7273    size_t count_bonds = 0;
    73     for (World::AtomComposite::const_iterator iter = Set.begin();
     74    for (World::ConstAtomComposite::const_iterator iter = Set.begin();
    7475        iter != Set.end();
    7576        ++iter) {
    … …  
    8081  }
    8182  // Storing undo info
    82   for (World::AtomComposite::const_iterator iter = Set.begin();
     83  for (World::ConstAtomComposite::const_iterator iter = Set.begin();
    8384      iter != Set.end();
    8485      ++iter) {
    … …  
    104105
    105106  // now recreate adjacency
    106   BG->CorrectBondDegree(Set);
     107  {
     108    World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection());
     109    BG->CorrectBondDegree(Set);
     110  }
    107111
    108112  return ActionState::ptr(UndoState);

  • src/Actions/GraphAction/CreateAdjacencyAction.cpp

    rf01769 ra58c16  
    6868
    6969  // count all present bonds
    70   World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection());
     70  World::ConstAtomComposite Set = const_cast<const World &>(World::getInstance()).
     71      getAllAtoms(AtomsBySelection());
    7172  std::vector<BondInfo_t> bonds;
    7273  {
    7374    size_t count_bonds = 0;
    74     for (World::AtomComposite::const_iterator iter = Set.begin();
     75    for (World::ConstAtomComposite::const_iterator iter = Set.begin();
    7576        iter != Set.end();
    7677        ++iter) {
    … …  
    8182  }
    8283  // Storing undo info
    83   for (World::AtomComposite::const_iterator iter = Set.begin();
     84  for (World::ConstAtomComposite::const_iterator iter = Set.begin();
    8485      iter != Set.end();
    8586      ++iter) {
    … …  
    105106
    106107  // now recreate adjacency
    107   BG->CreateAdjacency(Set);
     108  {
     109    World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection());
     110    BG->CreateAdjacency(Set);
     111  }
    108112
    109113  // give info

  • src/Actions/GraphAction/DestroyAdjacencyAction.cpp

    rf01769 ra58c16  
    7070
    7171  // check precondition
    72   World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection());
     72  World::ConstAtomComposite Set = const_cast<const World &>(World::getInstance()).
     73      getAllAtoms(AtomsBySelection());
    7374  if (Set.empty()) {
    7475    STATUS("No atoms selected.");
    … …  
    8081  {
    8182    size_t count_bonds = 0;
    82     for (World::AtomComposite::const_iterator iter = Set.begin();
     83    for (World::ConstAtomComposite::const_iterator iter = Set.begin();
    8384        iter != Set.end();
    8485        ++iter) {
    … …  
    8990  }
    9091  // Storing undo info
    91   for (World::AtomComposite::const_iterator iter = Set.begin();
     92  for (World::ConstAtomComposite::const_iterator iter = Set.begin();
    9293      iter != Set.end();
    9394      ++iter) {
    … …  
    113114
    114115  LOG(0, "STATUS: Clearing the Adjacency.");
    115   BG->cleanAdjacencyList(Set);
     116  {
     117    World::AtomComposite Set = World::getInstance().getAllAtoms(AtomsBySelection());
     118    BG->cleanAdjacencyList(Set);
     119  }
    116120
    117121  return ActionState::ptr(UndoState);

  • src/Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.cpp

    rf01769 ra58c16  
    6464    return Action::failure;
    6565  }
    66   std::vector<atom *> selectedAtoms = World::getInstance().getAllAtoms(AtomsBySelection());
     66  std::vector<const atom *> selectedAtoms = const_cast<const World &>(World::getInstance()).
     67      getAllAtoms(AtomsBySelection());
    6768  World::getInstance().selectAllAtoms(AtomsByShape(*selectedShapes[0]));
    6869  LOG(0, World::getInstance().countSelectedAtoms() << " atoms selected.");
    … …  
    7576  std::vector<Shape*> selectedShapes = ShapeRegistry::getInstance().getSelectedShapes();
    7677  World::getInstance().unselectAllAtoms(AtomsByShape(*selectedShapes[0]));
    77   BOOST_FOREACH(atom *_atom, state->selectedAtoms)
     78  BOOST_FOREACH(const atom *_atom, state->selectedAtoms)
    7879    World::getInstance().selectAtom(_atom);
    7980

  • src/Actions/SelectionAction/Atoms/AllAtomsInsideVolumeAction.def

    rf01769 ra58c16  
    1919#undef paramvalids
    2020
    21 #define statetypes (std::vector<atom*>)
     21#define statetypes (std::vector<const atom*>)
    2222#define statereferences (selectedAtoms)
    2323

  • src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.cpp

    rf01769 ra58c16  
    5757ActionState::ptr SelectionAllAtomsOfMoleculeAction::performCall() {
    5858  LOG(1, "Selecting all atoms of currently selected molecule.");
    59   std::vector<atom *> selectedAtoms = World::getInstance().getAllAtoms(AtomsBySelection());
     59  std::vector<const atom *> selectedAtoms = const_cast<const World &>(World::getInstance()).
     60      getAllAtoms(AtomsBySelection());
    6061  World::getInstance().selectAllAtoms(AtomsByMoleculeSelection());
    6162  LOG(0, World::getInstance().countSelectedAtoms() << " atoms selected.");
    … …  
    6768
    6869  World::getInstance().clearAtomSelection();
    69   BOOST_FOREACH(atom *_atom, state->selectedAtoms)
     70  BOOST_FOREACH(const atom *_atom, state->selectedAtoms)
    7071    World::getInstance().selectAtom(_atom);
    7172

  • src/Actions/SelectionAction/Atoms/AllAtomsOfMoleculeAction.def

    rf01769 ra58c16  
    2121#undef paramvalids
    2222
    23 #define statetypes (std::vector<atom*>)
     23#define statetypes (std::vector<const atom*>)
    2424#define statereferences (selectedAtoms)
    2525

  • src/Actions/SelectionAction/Atoms/AtomByElementAction.cpp

    rf01769 ra58c16  
    5757ActionState::ptr SelectionAtomByElementAction::performCall() {
    5858  LOG(1, "Selecting atoms of type " << *params.elemental.get());
    59   std::vector<atom *> selectedAtoms = World::getInstance().getAllAtoms(AtomsBySelection());
     59  std::vector<const atom *> selectedAtoms =
     60      const_cast<const World &>(World::getInstance()).getAllAtoms(AtomsBySelection());
    6061  World::getInstance().selectAllAtoms(AtomByType(params.elemental.get()));
    6162  LOG(0, World::getInstance().countSelectedAtoms() << " atoms selected.");
    … …  
    6768
    6869  World::getInstance().unselectAllAtoms(AtomByType(state->params.elemental.get()));
    69   BOOST_FOREACH(atom *_atom, state->selectedAtoms)
     70  BOOST_FOREACH(const atom *_atom, state->selectedAtoms)
    7071    World::getInstance().selectAtom(_atom);
    7172

  • src/Actions/SelectionAction/Atoms/AtomByElementAction.def

    rf01769 ra58c16  
    2222(ElementValidator())
    2323
    24 #define statetypes (std::vector<atom*>)
     24#define statetypes (std::vector<const atom*>)
    2525#define statereferences (selectedAtoms)
    2626

  • src/Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.cpp

    rf01769 ra58c16  
    6363    return Action::failure;
    6464  }
    65   std::vector<atom *> unselectedAtoms = World::getInstance().getAllAtoms((!AtomsBySelection()) && AtomsByShape(*selectedShapes[0]));
     65  std::vector<const atom *> unselectedAtoms = const_cast<const World &>(World::getInstance()).
     66      getAllAtoms((!AtomsBySelection()) && AtomsByShape(*selectedShapes[0]));
    6667  World::getInstance().unselectAllAtoms(AtomsByShape(*selectedShapes[0]));
    6768  LOG(0, World::getInstance().countSelectedAtoms() << " atoms remain selected.");
    … …  
    7475  std::vector<Shape*> selectedShapes = ShapeRegistry::getInstance().getSelectedShapes();
    7576  World::getInstance().selectAllAtoms(AtomsByShape(*selectedShapes[0]));
    76   BOOST_FOREACH(atom *_atom, state->unselectedAtoms)
     77  BOOST_FOREACH(const atom *_atom, state->unselectedAtoms)
    7778    World::getInstance().unselectAtom(_atom);
    7879

  • src/Actions/SelectionAction/Atoms/NotAllAtomsInsideVolumeAction.def

    rf01769 ra58c16  
    1818#undef paramvalids
    1919
    20 #define statetypes (std::vector<atom*>)
     20#define statetypes (std::vector<const atom*>)
    2121#define statereferences (unselectedAtoms)
    2222

  • src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.cpp

    rf01769 ra58c16  
    5757ActionState::ptr SelectionNotAllAtomsOfMoleculeAction::performCall() {
    5858  LOG(1, "Unselecting all atoms of currently selected molecules.");
    59   std::vector<atom *> unselectedAtoms = World::getInstance().getAllAtoms(!AtomsBySelection());
     59  std::vector<const atom *> unselectedAtoms = const_cast<const World &>(World::getInstance()).
     60      getAllAtoms(!AtomsBySelection());
    6061  World::getInstance().unselectAllAtoms(AtomsByMoleculeSelection());
    6162  LOG(0, World::getInstance().countSelectedAtoms() << " atoms remain selected.");
    … …  
    6768
    6869  World::getInstance().selectAllAtoms(AllAtoms());
    69   BOOST_FOREACH(atom *_atom, state->unselectedAtoms)
     70  BOOST_FOREACH(const atom *_atom, state->unselectedAtoms)
    7071    World::getInstance().unselectAtom(_atom);
    7172

  • src/Actions/SelectionAction/Atoms/NotAllAtomsOfMoleculeAction.def

    rf01769 ra58c16  
    2121#undef paramvalids
    2222
    23 #define statetypes (std::vector<atom*>)
     23#define statetypes (std::vector<const atom*>)
    2424#define statereferences (unselectedAtoms)
    2525

  • src/Actions/SelectionAction/Atoms/NotAtomByElementAction.cpp

    rf01769 ra58c16  
    5757ActionState::ptr SelectionNotAtomByElementAction::performCall() {
    5858  LOG(1, "Unselecting atoms of type " << *params.elemental.get());
    59   std::vector<atom *> unselectedAtoms = World::getInstance().getAllAtoms(!AtomsBySelection());
     59  std::vector<const atom *> unselectedAtoms = const_cast<const World &>(World::getInstance()).
     60      getAllAtoms(!AtomsBySelection());
    6061  World::getInstance().unselectAllAtoms(AtomByType(params.elemental.get()));
    6162  LOG(0, World::getInstance().countSelectedAtoms() << " atoms remain selected.");
    … …  
    6768
    6869  World::getInstance().selectAllAtoms(AtomByType(state->params.elemental.get()));
    69   BOOST_FOREACH(atom *_atom, state->unselectedAtoms)
     70  BOOST_FOREACH(const atom *_atom, state->unselectedAtoms)
    7071    World::getInstance().unselectAtom(_atom);
    7172

  • src/Actions/SelectionAction/Atoms/NotAtomByElementAction.def

    rf01769 ra58c16  
    2222(ElementValidator())
    2323
    24 #define statetypes (std::vector<atom*>)
     24#define statetypes (std::vector<const atom*>)
    2525#define statereferences (unselectedAtoms)
    2626

  • src/Actions/unittests/ActionSequenceUnitTest.cpp

    rf01769 ra58c16  
    306306  ActionTrait MakroTrait("Test MakroAction");
    307307  MakroAction act(MakroTrait,*sequence);
    308   wasCalledActionStub *wasCalled1 =
    309       static_cast<wasCalledActionStub *>(act.actions.actions.front());
    310   wasCalledActionStub *wasCalled2 =
    311       static_cast<wasCalledActionStub *>(act.actions.actions.back());
     308//  wasCalledActionStub *wasCalled1 =
     309//      static_cast<wasCalledActionStub *>(act.actions.actions.front());
     310//  wasCalledActionStub *wasCalled2 =
     311//      static_cast<wasCalledActionStub *>(act.actions.actions.back());
    312312
    313313  act.call();
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