Ignore:
Timestamp:
Jul 24, 2015, 4:44:34 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:
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/Actions/SelectionAction/Atoms
Files:
4 edited

Legend:

Unmodified
Added
Removed

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

    r1259df rf01769  
    6565  undoatomids.reserve(atomids.size());
    6666  for (atomids_t::const_iterator iter = atomids.begin(); iter != atomids.end(); ++iter) {
    67     const atom *Walker = World::getInstance().getAtom(AtomById(*iter));
     67    const atom *Walker = const_cast<const World &>(World::getInstance()).
     68        getAtom(AtomById(*iter));
    6869    if (Walker != NULL) {
    6970      if (!World::getInstance().isSelected(Walker)) {
    … …  
    104105
    105106  for (atomids_t::const_iterator iter = state->undoatomids.begin();
    106       iter != state->undoatomids.end(); ++iter) {
    107     const atom *Walker = World::getInstance().getAtom(AtomById(*iter));
    108     World::getInstance().unselectAtom(Walker);
    109   }
     107      iter != state->undoatomids.end(); ++iter)
     108    World::getInstance().unselectAllAtoms(AtomById(*iter));
    110109
    111110  return ActionState::ptr(_state);
    … …  
    116115
    117116  for (atomids_t::const_iterator iter = state->undoatomids.begin();
    118       iter != state->undoatomids.end(); ++iter) {
    119     const atom *Walker = World::getInstance().getAtom(AtomById(*iter));
    120     World::getInstance().selectAtom(Walker);
    121   }
     117      iter != state->undoatomids.end(); ++iter)
     118    World::getInstance().selectAllAtoms(AtomById(*iter));
    122119
    123120  return ActionState::ptr(_state);

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

    r1259df rf01769  
    5454/** =========== define the function ====================== */
    5555ActionState::ptr SelectionAtomByOrderAction::performCall() {
    56   const atom *Walker = World::getInstance().getAtom(AtomByOrder(params.order.get()));
     56  const atom *Walker = const_cast<const World &>(World::getInstance()).
     57      getAtom(AtomByOrder(params.order.get()));
    5758  if (Walker != NULL) {
    5859    if (!World::getInstance().isSelected(Walker)) {
    … …  
    7374  SelectionAtomByOrderState *state = assert_cast<SelectionAtomByOrderState*>(_state.get());
    7475
    75   const atom *Walker = World::getInstance().getAtom(AtomById(state->WalkerId));
    76   World::getInstance().unselectAtom(Walker);
     76  World::getInstance().unselectAllAtoms(AtomById(state->WalkerId));
    7777
    7878  return ActionState::ptr(_state);
    … …  
    8282  SelectionAtomByOrderState *state = assert_cast<SelectionAtomByOrderState*>(_state.get());
    8383
    84   const atom *Walker = World::getInstance().getAtom(AtomById(state->WalkerId));
    85   World::getInstance().selectAtom(Walker);
     84  World::getInstance().selectAllAtoms(AtomById(state->WalkerId));
    8685
    8786  return ActionState::ptr(_state);

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

    r1259df rf01769  
    6565  undoatomids.reserve(atomids.size());
    6666  for (atomids_t::const_iterator iter = atomids.begin(); iter != atomids.end(); ++iter) {
    67     const atom *Walker = World::getInstance().getAtom(AtomById(*iter));
     67    const atom *Walker = const_cast<const World &>(World::getInstance()).
     68        getAtom(AtomById(*iter));
    6869    if (Walker != NULL) {
    6970      if (World::getInstance().isSelected(Walker)) {
    … …  
    104105
    105106  for (atomids_t::const_iterator iter = state->undoatomids.begin();
    106       iter != state->undoatomids.end(); ++iter) {
    107     const atom *Walker = World::getInstance().getAtom(AtomById(*iter));
    108     World::getInstance().selectAtom(Walker);
    109   }
     107      iter != state->undoatomids.end(); ++iter)
     108    World::getInstance().selectAllAtoms(AtomById(*iter));
    110109
    111110  return ActionState::ptr(_state);
    … …  
    116115
    117116  for (atomids_t::const_iterator iter = state->undoatomids.begin();
    118       iter != state->undoatomids.end(); ++iter) {
    119     const atom *Walker = World::getInstance().getAtom(AtomById(*iter));
    120     World::getInstance().unselectAtom(Walker);
    121   }
     117      iter != state->undoatomids.end(); ++iter)
     118    World::getInstance().unselectAllAtoms(AtomById(*iter));
    122119
    123120  return ActionState::ptr(_state);

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

    r1259df rf01769  
    5454/** =========== define the function ====================== */
    5555ActionState::ptr SelectionNotAtomByOrderAction::performCall() {
    56   const atom * Walker = World::getInstance().getAtom(AtomByOrder(params.order.get()));
     56  const atom * Walker = const_cast<const World &>(World::getInstance()).
     57      getAtom(AtomByOrder(params.order.get()));
    5758  if (Walker != NULL) {
    5859    if (World::getInstance().isSelected(Walker)) {
    … …  
    7374  SelectionNotAtomByOrderState *state = assert_cast<SelectionNotAtomByOrderState*>(_state.get());
    7475
    75   const atom * Walker = World::getInstance().getAtom(AtomById(state->WalkerId));
    76   World::getInstance().selectAtom(Walker);
     76  World::getInstance().selectAllAtoms(AtomById(state->WalkerId));
    7777
    7878  return ActionState::ptr(_state);
    … …  
    8282  SelectionNotAtomByOrderState *state = assert_cast<SelectionNotAtomByOrderState*>(_state.get());
    8383
    84   const atom * Walker = World::getInstance().getAtom(AtomById(state->WalkerId));
    85   World::getInstance().unselectAtom(Walker);
     84  World::getInstance().unselectAllAtoms(AtomById(state->WalkerId));
    8685
    8786  return ActionState::ptr(_state);
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