source: src/Descriptors/DescriptorBase_impl.hpp@ c4abf2

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 ChangeBugEmailaddress ChangingTestPorts ChemicalSpaceEvaluator 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_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions Fix_StatusMsg Fix_StepWorldTime_single_argument Fix_Verbose_Codepatterns ForceAnnealing_goodresults ForceAnnealing_oldresults ForceAnnealing_tocheck ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion GeometryObjects Gui_displays_atomic_force_velocity IndependentFragmentGrids IndependentFragmentGrids_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool JobMarket_unresolvable_hostname_fix ODR_violation_mpqc_open PartialCharges_OrthogonalSummation PythonUI_with_named_parameters QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks RotateToPrincipalAxisSystem_UndoRedo SaturateAtoms_findBestMatching StoppableMakroAction Subpackage_CodePatterns Subpackage_JobMarket Subpackage_LinearAlgebra Subpackage_levmar Subpackage_mpqc_open Subpackage_vmg ThirdParty_MPQC_rebuilt_buildsystem TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since c4abf2 was 795c0f, checked in by Frederik Heber <heber@…>, 10 years ago

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.
  • Property mode set to 100644
File size: 3.1 KB
RevLine 
[6e97e5]1/*
2 * DescriptorBase_impl.hpp
3 *
4 * Created on: Mar 12, 2010
5 * Author: crueger
6 */
7
8#ifndef DESCRIPTORBASE_IMPL_HPP_
9#define DESCRIPTORBASE_IMPL_HPP_
10
[56f73b]11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16
[6e97e5]17#include "Descriptors/DescriptorBase.hpp"
18#include <utility>
19#include <boost/bind.hpp>
20
21template<class _Target,
22 class _Container>
23class DescriptorBase_impl{
24public:
25 typedef _Target Target;
[795c0f]26 typedef const _Target ConstTarget;
[6e97e5]27 typedef std::vector<Target> TargetVec;
[795c0f]28 typedef std::vector<ConstTarget> ConstTargetVec;
[6e97e5]29 typedef _Container Container;
30 typedef typename Container::value_type value_type;
[795c0f]31 typedef const typename Container::value_type const_value_type;
[6e97e5]32 typedef typename Container::iterator iterator;
[795c0f]33 typedef typename Container::const_iterator const_iterator;
[6e97e5]34
35 DescriptorBase_impl();
[795c0f]36 virtual ~DescriptorBase_impl();
[6e97e5]37
38 virtual bool predicate(value_type)=0;
39
40 virtual Target find(Container&);
[795c0f]41 virtual ConstTarget find(Container&) const;
[6e97e5]42 virtual TargetVec findAll(Container&);
[795c0f]43 virtual ConstTargetVec findAll(Container&) const;
[6e97e5]44protected:
45 const _take<Target,value_type> take;
46};
47
48template<class _Target,
49 class _Container>
50DescriptorBase_impl<_Target,_Container>::DescriptorBase_impl(){}
51
52template<class _Target,
53 class _Container>
54DescriptorBase_impl<_Target,_Container>::~DescriptorBase_impl(){}
55
56template<class _Target,
57 class _Container>
58typename DescriptorBase_impl<_Target,_Container>::Target
59 DescriptorBase_impl<_Target,_Container>::find(DescriptorBase_impl<_Target,_Container>::Container& container){
60 iterator res = find_if(container.begin(),
61 container.end(),
62 boost::bind(&DescriptorBase_impl<_Target,_Container>::predicate,this,_1));
63 return (res!=container.end())?(take(*res)):0;
[795c0f]64}
65
66template<class _Target,
67 class _Container>
68typename DescriptorBase_impl<_Target,_Container>::ConstTarget
69 DescriptorBase_impl<_Target,_Container>::find(DescriptorBase_impl<_Target,_Container>::Container& container) const{
70 const_iterator res = find_if(container.begin(),
71 container.end(),
72 boost::bind(&DescriptorBase_impl<_Target,_Container>::predicate,this,_1));
73 return (res!=container.end())?(take(*res)):0;
74}
[6e97e5]75
76template<class _Target,
77 class _Container>
78typename DescriptorBase_impl<_Target,_Container>::TargetVec
79 DescriptorBase_impl<_Target,_Container>::findAll(DescriptorBase_impl<_Target,_Container>::Container& container) {
80 TargetVec res;
81 iterator iter;
82 for(iter=container.begin();iter!=container.end();++iter) {
83 if(predicate(*iter)){
84 res.push_back(take(*iter));
85 }
86 }
87 return res;
88}
89
[795c0f]90template<class _Target,
91 class _Container>
92typename DescriptorBase_impl<_Target,_Container>::ConstTargetVec
93 DescriptorBase_impl<_Target,_Container>::findAll(DescriptorBase_impl<_Target,_Container>::Container& container) const {
94 ConstTargetVec res;
95 const_iterator iter;
96 for(iter=container.begin();iter!=container.end();++iter) {
97 if(predicate(*iter)){
98 res.push_back(take(*iter));
99 }
100 }
101 return res;
102}
103
[6e97e5]104#endif /* DESCRIPTORBASE_IMPL_HPP_ */
Note: See TracBrowser for help on using the repository browser.