Changeset 6e97e5 for src/World.cpp

Timestamp:

Mar 17, 2010, 3:19:56 PM (16 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:

229e3c

Parents:

745a85

git-author:

Tillmann Crueger <crueger@…> (03/17/10 14:53:26)

git-committer:

Tillmann Crueger <crueger@…> (03/17/10 15:19:56)

Message:

Added a generic Iterator that can be used to iterate only over certain parts of an internal data structure

File:

• src/World.cpp (modified) (2 diffs)

src/World.cpp

@@ -15 +15 @@
 #include "Descriptors/MoleculeDescriptor.hpp"
 #include "Descriptors/MoleculeDescriptor_impl.hpp"
+#include "Descriptors/SelectiveIterator_impl.hpp"
 #include "Actions/ManipulateAtomsProcess.hpp"
 
@@ -209 +210 @@
 /******************************* Iterators ********************************/
 
-/*
- * Actual Implementation of the iterators can be found in WorldIterators.cpp
- */
+// Build the AtomIterator from template
+CONSTRUCT_SELECTIVE_ITERATOR(atom*,World::AtomSet,AtomDescriptor);
+
 
 World::AtomIterator World::getAtomIter(AtomDescriptor descr){
-  return AtomIterator(descr,this);
-}
-
-World::AtomSet::iterator World::atomEnd(){
-  return atoms.end();
-}
+  return AtomIterator(descr,atoms);
+}
+
+World::AtomIterator World::atomEnd(){
+  return AtomIterator(AllAtoms(),atoms,atoms.end());
+}
+
+// build the MoleculeIterator from template
+CONSTRUCT_SELECTIVE_ITERATOR(molecule*,World::MoleculeSet,MoleculeDescriptor);
 
 World::MoleculeIterator World::getMoleculeIter(MoleculeDescriptor descr){
-  return MoleculeIterator(descr,this);
-}
-
-World::MoleculeSet::iterator World::moleculeEnd(){
-  return molecules.end();
+  return MoleculeIterator(descr,molecules);
+}
+
+World::MoleculeIterator World::moleculeEnd(){
+  return MoleculeIterator(AllMolecules(),molecules,molecules.end());
 }