source: src/Descriptors/AtomIdDescriptor.cpp@ fa0b18

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
Last change on this file since fa0b18 was fa0b18, checked in by Tillmann Crueger <crueger@…>, 14 years ago

Added Observed and Selectiv iterators over internal Structures of the World.
  • Property mode set to 100644
File size: 914 bytes
Line 
1/*
2 * AtomIdDescriptor.cpp
3 *
4 * Created on: Feb 5, 2010
5 * Author: crueger
6 */
7
8#include "Helpers/MemDebug.hpp"
9
10#include "AtomIdDescriptor.hpp"
11#include "AtomIdDescriptor_impl.hpp"
12
13#include "atom.hpp"
14#include "AtomSet_impl.hpp"
15
16using namespace std;
17
18
19AtomIdDescriptor_impl::AtomIdDescriptor_impl(atomId_t _id) :
20 id(_id)
21{}
22
23AtomIdDescriptor_impl::~AtomIdDescriptor_impl()
24{}
25
26bool AtomIdDescriptor_impl::predicate(std::pair<atomId_t,atom*> atom) {
27 return atom.first==id;
28}
29
30AtomDescriptor AtomById(atomId_t id){
31 return AtomDescriptor(AtomDescriptor::impl_ptr(new AtomIdDescriptor_impl(id)));
32}
33
34atom *AtomIdDescriptor_impl::find(){
35 World::AtomSet atoms = getAtoms();
36 World::AtomSet::iterator res = atoms.find(id);
37 return (res!=atoms.end())?((*res).second):0;
38}
39
40vector<atom*> AtomIdDescriptor_impl::findAll(){
41 atom *res = find();
42 return (res)?(vector<atom*>(1,res)):(vector<atom*>());
43}
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