Changeset 354859 for src/World.cpp
- Timestamp:
- Feb 16, 2010, 5:26:59 PM (15 years ago)
- 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:
- 7dad10, b1d8092
- Parents:
- 7a1ce5
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
TabularUnified src/World.cpp ¶
r7a1ce5 r354859 9 9 10 10 #include "atom.hpp" 11 #include "molecule.hpp" 12 #include "periodentafel.hpp" 11 13 #include "Descriptors/AtomDescriptor.hpp" 12 14 … … 14 16 15 17 /******************************* getter and setter ************************/ 16 periodentafel *World::getPeriode(){18 periodentafel *&World::getPeriode(){ 17 19 return periode; 18 20 } … … 26 28 } 27 29 30 int World::numAtoms(){ 31 return atoms.size(); 32 } 33 34 int World::numMolecules(){ 35 return molecules_deprecated->ListOfMolecules.size(); 36 } 37 38 molecule* 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 28 49 /******************************* Singleton Stuff **************************/ 29 50 … … 35 56 36 57 World::World() : 37 dummyId(0) 58 dummyId(0), 59 periode(new periodentafel), 60 molecules_deprecated(new MoleculeListClass) 38 61 {} 39 62 40 63 World::~World() 41 {} 64 { 65 delete periode; 66 } 42 67 43 68 World* World::get(){ … … 51 76 52 77 void World::destroy(){ 78 // For legacy reasons all atoms have to be destroyed first, since unregistering would cause deadlocks otherwise 79 theWorld->destroyLegacy(); 80 //WARNING: at this point we have a small race condition, when sombody now tries to access the world. 81 53 82 // boost supports RAII-Style locking, so we don't need to unlock 54 83 boost::mutex::scoped_lock guard(worldLock); … … 58 87 59 88 World* World::reset(){ 89 // For legacy reasons all atoms have to be destroyed first, since unregistering would cause deadlocks otherwise 90 theWorld->destroyLegacy(); 91 //WARNING: at this point we have a small race condition, when sombody now tries to access the world. 92 60 93 World* oldWorld = 0; 61 94 { … … 81 114 /******************************* deprecated Legacy Stuff ***********************/ 82 115 83 MoleculeListClass * World::getMolecules() {84 return molecules ;116 MoleculeListClass *&World::getMolecules() { 117 return molecules_deprecated; 85 118 } 86 119 … … 91 124 } 92 125 126 void World::destroyLegacy(){ 127 //delete molecules_deprecated; 128 } 129 93 130 void World::unregisterAtom(atom *theAtom){ 94 131 OBSERVE;
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