Changeset 1259df for src/Actions/WorldAction/BoundInBoxAction.cpp

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:

f01769

Parents:

63fb7a

git-author:

Frederik Heber <heber@…> (06/01/15 08:56:36)

git-committer:

Frederik Heber <heber@…> (07/24/15 16:44:34)

Message:

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

File:

• src/Actions/WorldAction/BoundInBoxAction.cpp (modified) (2 diffs)

src/Actions/WorldAction/BoundInBoxAction.cpp

@@ -56 +56 @@
   // create undo state
   std::vector< boost::shared_ptr<Vector> > OldPositions;
-  std::vector<molecule*> AllMolecules = World::getInstance().getAllMolecules();
-  for (vector<molecule*>::iterator MolRunner = AllMolecules.begin();
-      MolRunner != AllMolecules.end();
-      ++MolRunner) {
-    for(molecule::const_iterator AtomRunner = (*MolRunner)->begin();
-        AtomRunner != (*MolRunner)->end();
-        ++AtomRunner) {
-      OldPositions.push_back(
-          boost::shared_ptr<Vector>(new Vector(
-              (*AtomRunner)->getPosition()
-              ))
-          );
+  {
+    std::vector<const molecule*> AllMolecules = const_cast<const World &>(World::getInstance()).
+        getAllMolecules();
+    for (vector<const molecule*>::iterator MolRunner = AllMolecules.begin();
+        MolRunner != AllMolecules.end();
+        ++MolRunner) {
+      for(molecule::const_iterator AtomRunner = (*MolRunner)->begin();
+          AtomRunner != (*MolRunner)->end();
+          ++AtomRunner) {
+        OldPositions.push_back(
+            boost::shared_ptr<Vector>(new Vector(
+                (*AtomRunner)->getPosition()
+                ))
+            );
+      }
     }
   }
@@ -73 +76 @@
 
   // center
+  std::vector<molecule*> AllMolecules = World::getInstance().getAllMolecules();
   for (std::vector<molecule*>::iterator MolRunner = AllMolecules.begin(); MolRunner != AllMolecules.end(); ++MolRunner) {
     (*MolRunner)->BoundInBox();