source: src/World.hpp@ 7a1ce5

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 7a1ce5 was 7a1ce5, checked in by Tillmann Crueger <crueger@…>, 15 years ago

Rebuilt AtomDescriptors using PIMPL-Idiom and added unittest for descriptors

  • Property mode set to 100644
File size: 1.7 KB
Line 
1/*
2 * World.hpp
3 *
4 * Created on: Feb 3, 2010
5 * Author: crueger
6 */
7
8#ifndef WORLD_HPP_
9#define WORLD_HPP_
10
11#include <boost/thread.hpp>
12#include <map>
13#include <vector>
14
15#include "Patterns/Observer.hpp"
16#include "Patterns/Cacheable.hpp"
17
18// forward declarations
19class periodentafel;
20class MoleculeListClass;
21class atom;
22class AtomDescriptor;
23class AtomDescriptor_impl;
24
25class World : public Observable
26{
27friend class AtomDescriptor_impl;
28public:
29
30 /***** getter and setter *****/
31 periodentafel* getPeriode();
32 atom* getAtom(AtomDescriptor descriptor);
33 std::vector<atom*> getAllAtoms(AtomDescriptor descriptor);
34private:
35 periodentafel *periode;
36 std::map<int,atom*> atoms;
37
38
39 /***** singleton Stuff *****/
40public:
41 static World* get();
42 static void destroy();
43 static World* reset();
44
45private:
46 World();
47 virtual ~World();
48
49 static World *theWorld;
50 // this mutex only saves the singleton pattern...
51 // use other mutexes to protect internal data as well
52 // this mutex handles access to the pointer, not to the object!!!
53 static boost::mutex worldLock;
54
55 /*****
56 * some legacy stuff that is include for now but will be removed later
57 *****/
58public:
59 MoleculeListClass *getMolecules();
60
61 // functions used for the WorldContent template mechanism
62 void registerAtom(atom *theAtom);
63 void unregisterAtom(atom *theAtom);
64private:
65 MoleculeListClass *molecules;
66
67 // this is needed to assign unique IDs to atoms... so far
68 // IDs are not assigned upon Atom creation, so we cannot query the ID
69 // during construction. By using the dummy ID we can make sure all atoms
70 // are actually stored in the map and don't overwrite each other.
71 int dummyId;
72};
73
74#endif /* WORLD_HPP_ */
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