Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.6.0
Candidate_v1.6.1
ChangeBugEmailaddress
ChangingTestPorts
ChemicalSpaceEvaluator
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_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
JobMarket_unresolvable_hostname_fix
ODR_violation_mpqc_open
PartialCharges_OrthogonalSummation
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
Rev | Line | |
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[67cd3a] | 1 | /*
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| 2 | * PotentialRegistry.hpp
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| 3 | *
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| 4 | * Created on: Nov 23, 2012
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef POTENTIALREGISTRY_HPP_
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| 9 | #define POTENTIALREGISTRY_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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[f0964c] | 16 | #include "CodePatterns/Observer/Observable.hpp"
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[67cd3a] | 17 | #include "CodePatterns/Registry.hpp"
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| 18 | #include "CodePatterns/Singleton.hpp"
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[fdd23a] | 19 | #include "Potentials/EmpiricalPotential.hpp"
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[67cd3a] | 20 |
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| 21 | /** Potential Registry.
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| 22 | *
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| 23 | * The Potential registry is a storage for any EmpiricalPotential instance to
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| 24 | * be retrieved by name. It is a singleton and can be called from anywhere.
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| 25 | *
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| 26 | * This class is meant for convenience when loading and saving potential files.
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| 27 | * By the keyword given in the potential file we may look up whether the
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| 28 | * potential exists and modify it or create a new one accordingly. When saving
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| 29 | * the present potentials to a file, we just have to iterate over all present
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| 30 | * ones.
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| 31 | */
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[f0964c] | 32 | class PotentialRegistry :
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| 33 | public Singleton<PotentialRegistry>,
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| 34 | public Registry<EmpiricalPotential>,
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| 35 | public Observable
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[67cd3a] | 36 | {
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| 37 | friend class Singleton<PotentialRegistry>;
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[fdd23a] | 38 | //friend class Registry<EmpiricalPotential>;
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[67cd3a] | 39 |
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| 40 | public:
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| 41 |
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[f0964c] | 42 | void registerInstance(EmpiricalPotential*);
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| 43 | void unregisterInstance(EmpiricalPotential*);
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| 44 |
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[67cd3a] | 45 | private:
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[f0964c] | 46 | PotentialRegistry();
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[96c7d2] | 47 | virtual ~PotentialRegistry();
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[67cd3a] | 48 | };
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| 49 |
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| 50 | #endif /* POTENTIALREGISTRY_HPP_ */
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