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
Rev | Line | |
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[f649de] | 1 | /*
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| 2 | * WorldTime.hpp
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| 3 | *
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| 4 | * Created on: Feb 7, 2011
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef WORLDTIME_HPP_
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| 9 | #define WORLDTIME_HPP_
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| 10 |
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| 11 | // include config.h
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| 12 | #ifdef HAVE_CONFIG_H
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| 13 | #include <config.h>
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| 14 | #endif
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| 15 |
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[040a5c] | 16 | #include "CodePatterns/Observer/Observable.hpp"
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[f649de] | 17 | #include "CodePatterns/Singleton.hpp"
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| 18 |
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| 19 | class WorldTimeTest;
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| 20 |
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[ce7fdc] | 21 | namespace MoleCuilder {
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| 22 | class WorldSetWorldTimeAction;
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| 23 | }
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| 24 |
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[040a5c] | 25 | class WorldTime : public Singleton<WorldTime>, public Observable
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[f649de] | 26 | {
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[6bb605] | 27 | //!> own unit test should be friend to access private variables.
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[f649de] | 28 | friend class WorldTimeTest;
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[9d83b6] | 29 | //!> ListOfBonds test has to be friend to access private variables.
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| 30 | friend class ListOfBondsTest;
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[f649de] | 31 |
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[d297a3] | 32 | //!> World is friend to access setTime (alone!)
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| 33 | friend class World;
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| 34 |
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[6bb605] | 35 | //!> Make access to constructor and destructor possible from inside the singleton.
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[f649de] | 36 | friend class Singleton<WorldTime>;
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| 37 |
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[6bb605] | 38 | //!> Action is granted access to private setter.
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[ce7fdc] | 39 | friend class MoleCuilder::WorldSetWorldTimeAction;
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[f649de] | 40 | public:
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[040a5c] | 41 | enum NotificationType {
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| 42 | TimeChanged,
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| 43 | NotificationType_MAX // denotes the maximum of available notification types
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| 44 | };
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[f649de] | 45 |
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| 46 | /** Getter for CurrentTime.
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| 47 | *
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| 48 | * @return CurrentTime
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| 49 | */
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[6bb605] | 50 | static unsigned int getTime()
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| 51 | { return WorldTime::CurrentTime; }
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[f649de] | 52 |
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| 53 | /** Setter for StepWidth.
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| 54 | *
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| 55 | * @param _step value to set StepWidth to
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| 56 | */
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[6bb605] | 57 | void setStepWidth(const double _width);
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[f649de] | 58 | /** Getter for StepWidth.
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| 59 | *
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| 60 | * @return StepWidth
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| 61 | */
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| 62 | double getStepWidth() const;
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| 63 |
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| 64 | private:
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[6bb605] | 65 | /** Setter for CurrentTime.
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| 66 | *
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| 67 | * Access to setter is granted to friends only. Time must not be modifiable
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| 68 | * globally!
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| 69 | *
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| 70 | * @param _time value to set CurrentTime to
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| 71 | */
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[040a5c] | 72 | void setTime(const unsigned int _time);
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[6bb605] | 73 |
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| 74 | static unsigned int CurrentTime; //!< contains current time step
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[f649de] | 75 | double StepWidth; //!< contains width of one time step in atomic units
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| 76 |
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| 77 | protected:
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| 78 | /**
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| 79 | * private constructor to ensure creation of the world using
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| 80 | * the singleton pattern.
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| 81 | */
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| 82 | WorldTime();
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| 83 |
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| 84 | /**
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| 85 | * private destructor to ensure destruction of the world using the
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| 86 | * singleton pattern.
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| 87 | */
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[e3f9b8] | 88 | virtual ~WorldTime();
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[f649de] | 89 |
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| 90 | };
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| 91 |
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| 92 | #endif /* WORLDTIME_HPP_ */
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