Action_Thermostats
Add_AtomRandomPerturbation
Add_FitFragmentPartialChargesAction
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
Automaking_mpqc_open
AutomationFragmentation_failures
Candidate_v1.5.4
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_ChargeSampling_PBC
Fix_ChronosMutex
Fix_FitPartialCharges
Fix_FitPotential_needs_atomicnumbers
Fix_ForceAnnealing
Fix_IndependentFragmentGrids
Fix_ParseParticles
Fix_ParseParticles_split_forward_backward_Actions
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
Fixes
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
IndependentFragmentGrids_IndividualZeroInstances
IndependentFragmentGrids_IntegrationTest
IndependentFragmentGrids_Sole_NN_Calculation
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
SaturateAtoms_findBestMatching
SaturateAtoms_singleDegree
StoppableMakroAction
Subpackage_CodePatterns
Subpackage_JobMarket
Subpackage_LinearAlgebra
Subpackage_levmar
Subpackage_mpqc_open
Subpackage_vmg
ThirdParty_MPQC_rebuilt_buildsystem
TrajectoryDependenant_MaxOrder
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
Ubuntu_1604_changes
stable
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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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16 | #include "CodePatterns/Observer/Observable.hpp"
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17 | #include "CodePatterns/Registry.hpp"
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18 | #include "CodePatterns/Singleton.hpp"
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19 | #include "Potentials/EmpiricalPotential.hpp"
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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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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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36 | {
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37 | friend class Singleton<PotentialRegistry>;
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38 | //friend class Registry<EmpiricalPotential>;
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39 |
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40 | public:
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41 |
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42 | void registerInstance(EmpiricalPotential*);
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43 | void unregisterInstance(EmpiricalPotential*);
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44 |
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45 | private:
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46 | PotentialRegistry();
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47 | virtual ~PotentialRegistry();
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48 | };
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49 |
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50 | #endif /* POTENTIALREGISTRY_HPP_ */
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