Changeset 99db9b 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:
fac58f
Parents:
a58c16
git-author:
Frederik Heber <heber@…> (06/02/15 08:32:10)
git-committer:
Frederik Heber <heber@…> (07/24/15 16:44:35)
Message:

Replaced all World::getSelected...() to const version where possible.

  • also added const version of World::getSelectedAtoms().
Location:
src/Actions
Files:
27 edited

Legend:

Unmodified
Added
Removed

  • src/Actions/AnalysisAction/DipoleAngularCorrelationAction.cpp

    ra58c16 r99db9b  
    6464
    6565  // get selected atoms
    66   std::vector<atom*> old_atom_selection = World::getInstance().getSelectedAtoms();
    67   std::vector<molecule*> old_molecule_selection = World::getInstance().getSelectedMolecules();
     66  std::vector<const atom*> old_atom_selection =
     67      const_cast<const World &>(World::getInstance()).getSelectedAtoms();
     68  std::vector<const molecule*> old_molecule_selection =
     69      const_cast<const World &>(World::getInstance()).getSelectedMolecules();
    6870
    6971  // get current time step
    … …  
    7577  World::getInstance().clearMoleculeSelection(); // TODO: This should be done in setTime or where molecules are re-done
    7678  World::getInstance().selectAllMolecules(MoleculeByFormula(DipoleFormula));
    77   std::vector<molecule *> molecules = World::getInstance().getSelectedMolecules();
     79  std::vector<const molecule *> molecules =
     80      const_cast<const World &>(World::getInstance()).getSelectedMolecules();
    7881  std::map<atomId_t, Vector> ZeroVector = CalculateZeroAngularDipole(molecules);
    7982
    … …  
    8184  World::getInstance().clearAtomSelection();
    8285  World::getInstance().selectAllAtoms(AtomsByMoleculeSelection());
    83   std::vector<atom *> atoms = World::getInstance().getSelectedAtoms();
     86  std::vector<const atom *> atoms = const_cast<const World &>(World::getInstance()).
     87      getSelectedAtoms();
    8488  if (atoms.empty()) {
    8589    STATUS("Formula "+toString(DipoleFormula)+" selects no atoms.");
    … …  
    130134  // reset to old selections
    131135  World::getInstance().clearAtomSelection();
    132   BOOST_FOREACH(atom *_atom, old_atom_selection) {
     136  BOOST_FOREACH(const atom *_atom, old_atom_selection) {
    133137    World::getInstance().selectAtom(_atom);
    134138  }
    135139  World::getInstance().clearMoleculeSelection();
    136   BOOST_FOREACH(molecule *_mol, old_molecule_selection) {
     140  BOOST_FOREACH(const molecule *_mol, old_molecule_selection) {
    137141    World::getInstance().selectMolecule(_mol);
    138142  }

  • src/Actions/AnalysisAction/DipoleCorrelationAction.cpp

    ra58c16 r99db9b  
    6666  binoutput.open(params.binoutputname.get().string().c_str());
    6767  DipoleCorrelationMap *correlationmap = NULL;
    68   std::vector<molecule*> molecules = World::getInstance().getSelectedMolecules();
     68  const std::vector<const molecule*> molecules =
     69      const_cast<const World &>(World::getInstance()).getSelectedMolecules();
    6970  STATUS("There are "+toString(molecules.size())+" selected molecules.");
    7071  ASSERT(!params.periodic.get(), "AnalysisDipoleCorrelationAction() - periodic case not implemented.");

  • src/Actions/AnalysisAction/PointCorrelationAction.cpp

    ra58c16 r99db9b  
    7171  for(std::vector<const element *>::const_iterator iter = params.elements.get().begin(); iter != params.elements.get().end(); ++iter)
    7272    cout << "element is " << (*iter)->getSymbol() << endl;
    73   std::vector<molecule*> molecules = World::getInstance().getSelectedMolecules();
     73  const std::vector<const molecule*> molecules =
     74      const_cast<const World &>(World::getInstance()).getSelectedMolecules();
    7475  if (params.periodic.get())
    7576    correlationmap  = PeriodicCorrelationToPoint(molecules, params.elements.get(), &params.Point.get(), ranges);

  • src/Actions/AnalysisAction/SurfaceCorrelationAction.cpp

    ra58c16 r99db9b  
    9696
    9797  // correlate
    98   std::vector<molecule*> molecules = World::getInstance().getSelectedMolecules();
     98  const std::vector<const molecule*> molecules =
     99      const_cast<const World &>(World::getInstance()).getSelectedMolecules();
    99100  std::cout << "There are " << molecules.size() << " selected molecules." << std::endl;
    100101  CorrelationToSurfaceMap *surfacemap = NULL;

  • src/Actions/AtomAction/RotateAroundOriginByAngleAction.cpp

    ra58c16 r99db9b  
    7676  }
    7777  LOG(0, "done.");
    78   return ActionState::ptr(new AtomRotateAroundOriginByAngleState(World::getInstance().getSelectedAtoms(), params));
     78  return ActionState::ptr(new AtomRotateAroundOriginByAngleState(selectedAtoms, params));
    7979}
    8080

  • src/Actions/MoleculeAction/SaveTemperatureAction.cpp

    ra58c16 r99db9b  
    6060  ofstream output;
    6161  output.open(params.temperaturefile.get().string().c_str(), ios::trunc);
    62   AtomSetMixin<std::vector<atom *> > set(World::getInstance().getSelectedAtoms());
     62  AtomSetMixin<std::vector<const atom *> > set =
     63      const_cast<const World &>(World::getInstance()).getSelectedAtoms();
    6364  const size_t MDSteps = set.getMaxTrajectorySize();
    64   OutputTemperature<std::vector<atom *> > writer(set);
     65  OutputTemperature<std::vector<const atom *> > writer(set);
    6566  if (output.fail() || !writer((ofstream * const) &output, 0, MDSteps)) {
    6667    STATUS("File could not be written.");

  • src/Actions/ParserAction/SaveSelectedAtomsAsExtTypesAction.cpp

    ra58c16 r99db9b  
    6565    boost::filesystem::ofstream test;
    6666    test.open(params.filename.get());
    67     const bool status = parser.saveAtomsInExttypes(test, World::getInstance().getSelectedAtoms(), params.id.get());
     67    const bool status = parser.saveAtomsInExttypes(
     68        test,
     69        const_cast<const World &>(World::getInstance()).getSelectedAtoms(),
     70        params.id.get());
    6871    test.close();
    6972

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

    ra58c16 r99db9b  
    5454/** =========== define the function ====================== */
    5555ActionState::ptr SelectionAllAtomsAction::performCall() {
    56   std::vector<atom *> selectedAtoms = World::getInstance().getSelectedAtoms();
     56  const std::vector<const atom *> selectedAtoms =
     57      const_cast<const World &>(World::getInstance()).getSelectedAtoms();
    5758  LOG(1, "Selecting all atoms.");
    5859  World::getInstance().selectAllAtoms(AllAtoms());
    … …  
    6667  World::getInstance().clearAtomSelection();
    6768
    68   BOOST_FOREACH(atom *_atom, state->selectedAtoms)
     69  BOOST_FOREACH(const atom *_atom, state->selectedAtoms)
    6970    World::getInstance().selectAtom(_atom);
    7071

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

    ra58c16 r99db9b  
    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/ClearAllAtomsAction.cpp

    ra58c16 r99db9b  
    5454/** =========== define the function ====================== */
    5555ActionState::ptr SelectionClearAllAtomsAction::performCall() {
    56   std::vector<atom *> selectedAtoms = World::getInstance().getSelectedAtoms();
     56  const std::vector<const atom *> selectedAtoms =
     57      const_cast<const World &>(World::getInstance()).getSelectedAtoms();
    5758  LOG(1, "Clearing atoms selection.");
    5859  World::getInstance().clearAtomSelection();
    … …  
    6465
    6566  World::getInstance().clearAtomSelection();
    66   BOOST_FOREACH(atom *_atom, state->selectedAtoms)
     67  BOOST_FOREACH(const atom *_atom, state->selectedAtoms)
    6768    World::getInstance().selectAtom(_atom);
    6869

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

    ra58c16 r99db9b  
    2020#undef paramvalids
    2121
    22 #define statetypes (std::vector<atom*>)
     22#define statetypes (std::vector<const atom*>)
    2323#define statereferences (selectedAtoms)
    2424

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

    ra58c16 r99db9b  
    5454/** =========== define the function ====================== */
    5555ActionState::ptr SelectionNotAllAtomsAction::performCall() {
    56   std::vector<atom *> selectedAtoms = World::getInstance().getSelectedAtoms();
     56  const std::vector<const atom *> selectedAtoms =
     57      const_cast<const World &>(World::getInstance()).getSelectedAtoms();
    5758  LOG(1, "Unselecting all atoms.");
    5859  World::getInstance().clearAtomSelection();
    … …  
    6566
    6667  World::getInstance().clearAtomSelection();
    67   BOOST_FOREACH(atom *_atom, state->unselectedAtoms)
     68  BOOST_FOREACH(const atom *_atom, state->unselectedAtoms)
    6869    World::getInstance().selectAtom(_atom);
    6970

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

    ra58c16 r99db9b  
    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/PopAtomsAction.cpp

    ra58c16 r99db9b  
    5050ActionState::ptr SelectionPopAtomsAction::performCall() {
    5151  // create undo state
    52   const std::vector<atom *> selected_atoms = World::getInstance().getSelectedAtoms();
    53   std::vector<atomId_t> selected_atomids(selected_atoms.size(), (atomId_t)-1);
    54   std::transform(
    55       selected_atoms.begin(), selected_atoms.end(),
    56       selected_atomids.begin(),
    57       boost::bind(&atom::getId, _1));
     52  const std::vector<const atom *> selectedAtoms =
     53      const_cast<const World &>(World::getInstance()).getSelectedAtoms();
    5854  LOG(1, "Popping atom selection.");
    5955  World::getInstance().popAtomSelection();
    60   return ActionState::ptr(new SelectionPopAtomsState(selected_atomids, params));
     56  return ActionState::ptr(new SelectionPopAtomsState(selectedAtoms, params));
    6157}
    6258
    … …  
    6763
    6864  // and re-create present selection
    69   for(std::vector<atomId_t>::const_iterator iter = state->selected_atomids.begin();
    70       iter != state->selected_atomids.end(); ++iter)
    71     World::getInstance().selectAtom(*iter);
     65  World::getInstance().clearAtomSelection();
     66  BOOST_FOREACH(const atom *_atom, state->selectedAtoms)
     67    World::getInstance().selectAtom(_atom);
    7268
    7369  return ActionState::ptr(_state);

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

    ra58c16 r99db9b  
    2020#undef paramvalids
    2121
    22 #define statetypes (std::vector<atomId_t>)
    23 #define statereferences (selected_atomids)
     22#define statetypes (std::vector<const atom *>)
     23#define statereferences (selectedAtoms)
    2424
    2525// some defines for all the names, you may use ACTION, STATE and PARAMS

  • src/Actions/SelectionAction/Molecules/AllMoleculesAction.cpp

    ra58c16 r99db9b  
    5555/** =========== define the function ====================== */
    5656ActionState::ptr SelectionAllMoleculesAction::performCall() {
    57   std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules();
     57  const std::vector<const molecule *> selectedMolecules =
     58      const_cast<const World &>(World::getInstance()).getSelectedMolecules();
    5859  LOG(1, "Selecting all molecules.");
    5960  World::getInstance().selectAllMolecules(AllMolecules());
    … …  
    6667
    6768  World::getInstance().clearMoleculeSelection();
    68   BOOST_FOREACH(molecule *_mol, state->selectedMolecules)
     69  BOOST_FOREACH(const molecule *_mol, state->selectedMolecules)
    6970    World::getInstance().selectMolecule(_mol);
    7071

  • src/Actions/SelectionAction/Molecules/AllMoleculesAction.def

    ra58c16 r99db9b  
    2020#undef paramvalids
    2121
    22 #define statetypes (std::vector<molecule*>)
     22#define statetypes (std::vector<const molecule*>)
    2323#define statereferences (selectedMolecules)
    2424

  • src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.cpp

    ra58c16 r99db9b  
    5454/** =========== define the function ====================== */
    5555ActionState::ptr SelectionClearAllMoleculesAction::performCall() {
    56   std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules();
     56  const std::vector<const molecule *> selectedMolecules =
     57      const_cast<const World &>(World::getInstance()).getSelectedMolecules();
    5758  LOG(1, "Clearing molecule selection.");
    5859  World::getInstance().clearMoleculeSelection();
    … …  
    6566
    6667  World::getInstance().clearMoleculeSelection();
    67   BOOST_FOREACH(molecule *_mol, state->selectedMolecules)
     68  BOOST_FOREACH(const molecule *_mol, state->selectedMolecules)
    6869    World::getInstance().selectMolecule(_mol);
    6970

  • src/Actions/SelectionAction/Molecules/ClearAllMoleculesAction.def

    ra58c16 r99db9b  
    2020#undef paramvalids
    2121
    22 #define statetypes (std::vector<molecule*>)
     22#define statetypes (std::vector<const molecule*>)
    2323#define statereferences (selectedMolecules)
    2424

  • src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.cpp

    ra58c16 r99db9b  
    5454/** =========== define the function ====================== */
    5555ActionState::ptr SelectionMoleculeOfAtomAction::performCall() {
    56   std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules();
     56  const std::vector<const molecule *> selectedMolecules =
     57      const_cast<const World &>(World::getInstance()).getSelectedMolecules();
    5758  LOG(1, "Selecting molecule to currently selected atoms: " << World::getInstance().countSelectedAtoms());
    5859  World::getInstance().selectAllMolecules(MoleculesByAtomSelection());
    … …  
    6566
    6667  World::getInstance().clearMoleculeSelection();
    67   BOOST_FOREACH(molecule *_mol, state->selectedMolecules)
     68  BOOST_FOREACH(const molecule *_mol, state->selectedMolecules)
    6869    World::getInstance().selectMolecule(_mol);
    6970

  • src/Actions/SelectionAction/Molecules/MoleculeOfAtomAction.def

    ra58c16 r99db9b  
    2020#undef paramvalids
    2121
    22 #define statetypes (std::vector<molecule*>)
     22#define statetypes (std::vector<const molecule*>)
    2323#define statereferences (selectedMolecules)
    2424

  • src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.cpp

    ra58c16 r99db9b  
    5454/** =========== define the function ====================== */
    5555ActionState::ptr SelectionNotAllMoleculesAction::performCall() {
    56   std::vector<molecule *> selectedMolecules = World::getInstance().getSelectedMolecules();
     56  const std::vector<const molecule *> selectedMolecules =
     57      const_cast<const World &>(World::getInstance()).getSelectedMolecules();
    5758  LOG(1, "Unselecting all molecules.");
    5859  World::getInstance().clearMoleculeSelection();
    … …  
    6566
    6667  World::getInstance().clearMoleculeSelection();
    67   BOOST_FOREACH(molecule *_mol, state->unselectedMolecules)
     68  BOOST_FOREACH(const molecule *_mol, state->selectedMolecules)
    6869    World::getInstance().selectMolecule(_mol);
    6970

  • src/Actions/SelectionAction/Molecules/NotAllMoleculesAction.def

    ra58c16 r99db9b  
    2020#undef paramvalids
    2121
    22 #define statetypes (std::vector<molecule*>)
    23 #define statereferences (unselectedMolecules)
     22#define statetypes (std::vector<const molecule*>)
     23#define statereferences (selectedMolecules)
    2424
    2525// some defines for all the names, you may use ACTION, STATE and PARAMS

  • src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.cpp

    ra58c16 r99db9b  
    5454/** =========== define the function ====================== */
    5555ActionState::ptr SelectionNotMoleculeOfAtomAction::performCall() {
    56   std::vector<molecule *> unselectedMolecules = World::getInstance().getSelectedMolecules();
     56  const std::vector<const molecule *> selectedMolecules =
     57      const_cast<const World &>(World::getInstance()).getSelectedMolecules();
    5758  LOG(1, "Unselecting molecule to currently selected atoms.");
    5859  World::getInstance().unselectAllMolecules(MoleculesByAtomSelection());
    5960  LOG(0, World::getInstance().countSelectedMolecules() << " molecules remain selected.");
    60   return ActionState::ptr(new SelectionNotMoleculeOfAtomState(unselectedMolecules, params));
     61  return ActionState::ptr(new SelectionNotMoleculeOfAtomState(selectedMolecules, params));
    6162}
    6263
    … …  
    6566
    6667  World::getInstance().clearMoleculeSelection();
    67   BOOST_FOREACH(molecule *_mol, state->unselectedMolecules)
     68  BOOST_FOREACH(const molecule *_mol, state->selectedMolecules)
    6869    World::getInstance().selectMolecule(_mol);
    6970

  • src/Actions/SelectionAction/Molecules/NotMoleculeOfAtomAction.def

    ra58c16 r99db9b  
    2020#undef paramvalids
    2121
    22 #define statetypes (std::vector<molecule*>)
    23 #define statereferences (unselectedMolecules)
     22#define statetypes (std::vector<const molecule*>)
     23#define statereferences (selectedMolecules)
    2424
    2525// some defines for all the names, you may use ACTION, STATE and PARAMS

  • src/Actions/SelectionAction/Molecules/PopMoleculesAction.cpp

    ra58c16 r99db9b  
    5050ActionState::ptr SelectionPopMoleculesAction::performCall() {
    5151  // create undo state
    52   const std::vector<molecule *> selected_mols = World::getInstance().getSelectedMolecules();
    53   std::vector<moleculeId_t> selected_molids(selected_mols.size(), (moleculeId_t)-1);
    54   std::transform(
    55       selected_mols.begin(), selected_mols.end(),
    56       selected_molids.begin(),
    57       boost::bind(&molecule::getId, _1));
     52  const std::vector<const molecule *> selectedMolecules =
     53      const_cast<const World &>(World::getInstance()).getSelectedMolecules();
    5854  LOG(1, "Popping molecule selection.");
    5955  World::getInstance().popMoleculeSelection();
    60   return ActionState::ptr(new SelectionPopMoleculesState(selected_molids, params));
     56  return ActionState::ptr(new SelectionPopMoleculesState(selectedMolecules, params));
    6157}
    6258
    … …  
    6662  World::getInstance().pushMoleculeSelection();
    6763  // re-create old selection
    68   for(std::vector<moleculeId_t>::const_iterator iter = state->selected_molids.begin();
    69       iter != state->selected_molids.end(); ++iter)
    70     World::getInstance().selectMolecule(*iter);
     64  World::getInstance().clearMoleculeSelection();
     65  BOOST_FOREACH(const molecule *_mol, state->selectedMolecules)
     66    World::getInstance().selectMolecule(_mol);
    7167
    7268  return ActionState::ptr(_state);

  • src/Actions/SelectionAction/Molecules/PopMoleculesAction.def

    ra58c16 r99db9b  
    2020#undef paramvalids
    2121
    22 #define statetypes (std::vector<moleculeId_t>)
    23 #define statereferences (selected_molids)
     22#define statetypes (std::vector<const molecule *>)
     23#define statereferences (selectedMolecules)
    2424
    2525// some defines for all the names, you may use ACTION, STATE and PARAMS
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