source: src/World.cpp@ 7dad10

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 Candidate_v1.7.0 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 7dad10 was 7dad10, checked in by Tillmann Crueger <crueger@…>, 16 years ago

Added a special class of Actions that take some time.

  • Property mode set to 100644
File size: 3.2 KB
RevLine 
[5d1611]1/*
2 * World.cpp
3 *
4 * Created on: Feb 3, 2010
5 * Author: crueger
6 */
7
8#include "World.hpp"
9
[d346b6]10#include "atom.hpp"
[354859]11#include "molecule.hpp"
12#include "periodentafel.hpp"
[fc1b24]13#include "Descriptors/AtomDescriptor.hpp"
[d346b6]14
15using namespace std;
[4d9c01]16
[5d1611]17/******************************* getter and setter ************************/
[354859]18periodentafel *&World::getPeriode(){
[5d1611]19 return periode;
20}
21
[7a1ce5]22atom* World::getAtom(AtomDescriptor descriptor){
[fc1b24]23 return descriptor.find();
24}
25
[7a1ce5]26vector<atom*> World::getAllAtoms(AtomDescriptor descriptor){
[fc1b24]27 return descriptor.findAll();
28}
29
[354859]30int World::numAtoms(){
31 return atoms.size();
32}
33
34int World::numMolecules(){
35 return molecules_deprecated->ListOfMolecules.size();
36}
37
38molecule* World::createMolecule(){
39 OBSERVE;
40 molecule *mol = NULL;
41 mol = new molecule(periode);
42 molecules_deprecated->insert(mol);
43 molecules.insert(mol);
44 mol->signOn(this);
45 return mol;
46}
47
48
[5d1611]49/******************************* Singleton Stuff **************************/
50
[4d9c01]51// TODO: Hide boost-thread using Autotools stuff when no threads are used
[5d1611]52World* World::theWorld = 0;
[4d9c01]53boost::mutex World::worldLock;
54
[5d1611]55
56
[7a1ce5]57World::World() :
[354859]58 dummyId(0),
59 periode(new periodentafel),
60 molecules_deprecated(new MoleculeListClass)
[7dad10]61{
62 molecules_deprecated->signOn(this);
63}
[5d1611]64
65World::~World()
[354859]66{
67 delete periode;
68}
[5d1611]69
70World* World::get(){
71 // boost supports RAII-Style locking, so we don't need to unlock
72 boost::mutex::scoped_lock guard(worldLock);
73 if(!theWorld) {
74 theWorld = new World();
75 }
76 return theWorld;
77}
78
79void World::destroy(){
[354859]80 // For legacy reasons all atoms have to be destroyed first, since unregistering would cause deadlocks otherwise
81 theWorld->destroyLegacy();
82 //WARNING: at this point we have a small race condition, when sombody now tries to access the world.
83
[5d1611]84 // boost supports RAII-Style locking, so we don't need to unlock
85 boost::mutex::scoped_lock guard(worldLock);
86 delete theWorld;
87 theWorld = 0;
88}
89
90World* World::reset(){
[354859]91 // For legacy reasons all atoms have to be destroyed first, since unregistering would cause deadlocks otherwise
92 theWorld->destroyLegacy();
93 //WARNING: at this point we have a small race condition, when sombody now tries to access the world.
94
[5d1611]95 World* oldWorld = 0;
96 {
97 // boost supports RAII-Style locking, so we don't need to unlock
98 boost::mutex::scoped_lock guard(worldLock);
99
100 oldWorld = theWorld;
101 theWorld = new World();
102 // oldworld does not need protection any more,
103 // since we should have the only reference
104
105 // worldLock handles access to the pointer,
106 // not to the object
107 } // scope-end releases the lock
108
109 // we have to let all the observers know that the
110 // oldWorld was destroyed. oldWorld calls subjectKilled
111 // upon destruction. Every Observer getting that signal
112 // should see that it gets the updated new world
113 delete oldWorld;
114}
115
116/******************************* deprecated Legacy Stuff ***********************/
117
[354859]118MoleculeListClass *&World::getMolecules() {
119 return molecules_deprecated;
[5d1611]120}
[4d9c01]121
[d346b6]122// some legacy stuff to let the World know about items created outside
123void World::registerAtom(atom *theAtom){
124 OBSERVE;
[7a1ce5]125 atoms[dummyId++] = theAtom;
[d346b6]126}
[4d9c01]127
[354859]128void World::destroyLegacy(){
129 //delete molecules_deprecated;
130}
131
[d346b6]132void World::unregisterAtom(atom *theAtom){
133 OBSERVE;
134 atoms.erase(theAtom->getId());
[4d9c01]135}
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