Changeset 795c0f for src/Descriptors/DescriptorBase_impl.hpp

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:

63fb7a

Parents:

97445f

git-author:

Frederik Heber <heber@…> (06/01/15 08:30:56)

git-committer:

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

Message:

World::getAtoms() now has const versions as well.

• this in turn required to adapt all AtomDescriptors and some fixes, e.g. predicate is now const member and works on const atom ptr.

File:

• src/Descriptors/DescriptorBase_impl.hpp (modified) (3 diffs)

src/Descriptors/DescriptorBase_impl.hpp

@@ -24 +24 @@
 public:
   typedef _Target Target;
+  typedef const _Target ConstTarget;
   typedef std::vector<Target> TargetVec;
+  typedef std::vector<ConstTarget> ConstTargetVec;
   typedef _Container Container;
   typedef typename Container::value_type value_type;
+  typedef const typename Container::value_type const_value_type;
   typedef typename Container::iterator iterator;
+  typedef typename Container::const_iterator const_iterator;
 
   DescriptorBase_impl();
-  ~DescriptorBase_impl();
+  virtual ~DescriptorBase_impl();
 
   virtual bool predicate(value_type)=0;
 
   virtual Target    find(Container&);
+  virtual ConstTarget    find(Container&) const;
   virtual TargetVec findAll(Container&);
+  virtual ConstTargetVec findAll(Container&) const;
 protected:
   const _take<Target,value_type> take;
@@ -56 +62 @@
                            boost::bind(&DescriptorBase_impl<_Target,_Container>::predicate,this,_1));
     return (res!=container.end())?(take(*res)):0;
-  }
+}
+
+template<class _Target,
+         class _Container>
+typename DescriptorBase_impl<_Target,_Container>::ConstTarget
+  DescriptorBase_impl<_Target,_Container>::find(DescriptorBase_impl<_Target,_Container>::Container& container) const{
+    const_iterator res = find_if(container.begin(),
+                           container.end(),
+                           boost::bind(&DescriptorBase_impl<_Target,_Container>::predicate,this,_1));
+    return (res!=container.end())?(take(*res)):0;
+}
 
 template<class _Target,
@@ -72 +88 @@
 }
 
+template<class _Target,
+         class _Container>
+typename DescriptorBase_impl<_Target,_Container>::ConstTargetVec
+  DescriptorBase_impl<_Target,_Container>::findAll(DescriptorBase_impl<_Target,_Container>::Container& container) const {
+  ConstTargetVec res;
+  const_iterator iter;
+  for(iter=container.begin();iter!=container.end();++iter) {
+    if(predicate(*iter)){
+      res.push_back(take(*iter));
+    }
+  }
+  return res;
+}
+
 #endif /* DESCRIPTORBASE_IMPL_HPP_ */