Changeset 7c4e29 for src/World.hpp

Timestamp:

Feb 19, 2010, 11:49:42 AM (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:

afb47f

Parents:

b2cfdb

git-author:

Tillmann Crueger <crueger@…> (02/19/10 11:31:39)

git-committer:

Tillmann Crueger <crueger@…> (02/19/10 11:49:42)

Message:

Added a class that allows constructing Processes that have a result

File:

• src/World.hpp (modified) (5 diffs)

src/World.hpp

@@ -9 +9 @@
 #define WORLD_HPP_
 
-#include <boost/thread.hpp>
+#include <string>
 #include <map>
 #include <vector>
 #include <set>
+#include <boost/thread.hpp>
 #include <boost/shared_ptr.hpp>
+
 
 #include "Patterns/Observer.hpp"
@@ -25 +27 @@
 class AtomDescriptor;
 class AtomDescriptor_impl;
+class ManipulateAtomsProcess;
 
 class World : public Observable
@@ -30 +33 @@
 friend class AtomDescriptor_impl;
 friend class AtomDescriptor;
+
+friend class ManipulateAtomsProcess;
 
 typedef std::map<int,atom*> AtomList;
@@ -45 +50 @@
   molecule *createMolecule();
 
+  ManipulateAtomsProcess* manipulateAtoms(boost::function<void(atom*)>,std::string,AtomDescriptor);
+
 protected:
   /**** Iterators to use internal data structures */
   class AtomIterator {
   public:
+    AtomIterator();
     AtomIterator(AtomDescriptor, World*);
     AtomIterator(const AtomIterator&);
-    AtomIterator& operator++();
+    AtomIterator& operator=(const AtomIterator&);
+    AtomIterator& operator++();     // prefix
+    AtomIterator  operator++(int);  // postfix with dummy parameter
     bool operator==(const AtomIterator&);
+    bool operator==(const AtomList::iterator&);
     bool operator!=(const AtomIterator&);
+    bool operator!=(const AtomList::iterator&);
     atom* operator*();
+
+    int getCount();
   protected:
     void advanceState();
@@ -60 +74 @@
     AtomList::iterator state;
     boost::shared_ptr<AtomDescriptor_impl>  descr;
+    int index;
   };
 
   AtomIterator getAtomIter(AtomDescriptor descr);
+  AtomList::iterator atomEnd();
 
 private: