Changeset 354859 for src/World.cpp


Ignore:
Timestamp:
Feb 16, 2010, 5:26:59 PM (15 years ago)
Author:
Tillmann Crueger <crueger@…>
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
Message:

Moved control of molecules and periode to World.

File:
1 edited

Legend:

Unmodified
Added
Removed
  • TabularUnified src/World.cpp

    r7a1ce5 r354859  
    99
    1010#include "atom.hpp"
     11#include "molecule.hpp"
     12#include "periodentafel.hpp"
    1113#include "Descriptors/AtomDescriptor.hpp"
    1214
     
    1416
    1517/******************************* getter and setter ************************/
    16 periodentafel* World::getPeriode(){
     18periodentafel *&World::getPeriode(){
    1719  return periode;
    1820}
     
    2628}
    2729
     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
    2849/******************************* Singleton Stuff **************************/
    2950
     
    3556
    3657World::World() :
    37     dummyId(0)
     58    dummyId(0),
     59    periode(new periodentafel),
     60    molecules_deprecated(new MoleculeListClass)
    3861{}
    3962
    4063World::~World()
    41 {}
     64{
     65  delete periode;
     66}
    4267
    4368World* World::get(){
     
    5176
    5277void 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
    5382  // boost supports RAII-Style locking, so we don't need to unlock
    5483  boost::mutex::scoped_lock guard(worldLock);
     
    5887
    5988World* 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
    6093  World* oldWorld = 0;
    6194  {
     
    81114/******************************* deprecated Legacy Stuff ***********************/
    82115
    83 MoleculeListClass *World::getMolecules() {
    84   return molecules;
     116MoleculeListClass *&World::getMolecules() {
     117  return molecules_deprecated;
    85118}
    86119
     
    91124}
    92125
     126void World::destroyLegacy(){
     127  //delete molecules_deprecated;
     128}
     129
    93130void World::unregisterAtom(atom *theAtom){
    94131  OBSERVE;
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