Changeset e3d865

Timestamp:

Jul 14, 2010, 11:53:16 AM (14 years ago)

Author:

Tillmann Crueger <crueger@…>

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:

5d880e

Parents:

51be2a

git-author:

Tillmann Crueger <crueger@…> (07/14/10 11:51:31)

git-committer:

Tillmann Crueger <crueger@…> (07/14/10 11:53:16)

Message:

Madet the internal iterators provided by the world unobserved

Location:

src

Files:

• Patterns/ObservedContainer.hpp (modified) (1 diff)
• World.cpp (modified) (1 diff)
• World.hpp (modified) (5 diffs)

src/Patterns/ObservedContainer.hpp

@@ -30 +30 @@
 {
   friend class World;
+
+public:
   typedef Container set_t;
-public:
   // this iterator can be used for internal purposes...
   // no lock used here
   typedef typename set_t::iterator                              internal_iterator;
   typedef typename std::reverse_iterator<internal_iterator>     reverse_internal_iterator;
-  typedef SelectiveIterator<atom*,set_t,AtomDescriptor>         selective_internal_iterator;
 
   // typedefs for iterator structure

src/World.cpp

@@ -458 +458 @@
 
 // build the MoleculeIterator from template
-CONSTRUCT_SELECTIVE_ITERATOR(molecule*,World::MoleculeSet,MoleculeDescriptor);
-
-World::MoleculeIterator World::getMoleculeIter(MoleculeDescriptor descr){
-  return MoleculeIterator(descr,molecules);
-}
-
-World::MoleculeIterator World::moleculeEnd(){
-  return MoleculeIterator(AllMolecules(),molecules,molecules.end());
+CONSTRUCT_SELECTIVE_ITERATOR(molecule*,World::MoleculeSet::set_t,MoleculeDescriptor);
+
+World::internal_MoleculeIterator World::getMoleculeIter_internal(MoleculeDescriptor descr){
+  return internal_MoleculeIterator(descr,molecules.getContent());
+}
+
+World::internal_MoleculeIterator World::moleculeEnd_internal(){
+  return internal_MoleculeIterator(AllMolecules(),molecules.getContent(),molecules.end_internal());
 }
 

src/World.hpp

@@ -237 +237 @@
   AtomIterator atomEnd();
 
-  typedef SelectiveIterator<molecule*,MoleculeSet,MoleculeDescriptor> MoleculeIterator;
+  typedef SelectiveIterator<molecule*,MoleculeSet,MoleculeDescriptor>   MoleculeIterator;
 
 protected:
@@ -247 +247 @@
 
   // Atoms
-  typedef AtomSet::selective_internal_iterator internal_AtomIterator;
+  typedef SelectiveIterator<atom*,AtomSet::set_t,AtomDescriptor>        internal_AtomIterator;
 
   /**
@@ -264 +264 @@
 
   // Molecules
-
+  typedef SelectiveIterator<molecule*,MoleculeSet::set_t,MoleculeDescriptor>   internal_MoleculeIterator;
 
 
@@ -271 +271 @@
    * used for internal purposes, like MoleculeProcesses and MoleculeCalculations.
    */
-  MoleculeIterator getMoleculeIter(MoleculeDescriptor descr);
+  internal_MoleculeIterator getMoleculeIter_internal(MoleculeDescriptor descr);
 
   /**
@@ -279 +279 @@
    * used for internal purposes, like MoleculeProcesses and MoleculeCalculations.
    */
-  MoleculeIterator moleculeEnd();
+  internal_MoleculeIterator moleculeEnd_internal();