source: src/Potentials/unittests/stubs/SerializablePotentialMock.hpp@ 6efcae

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
Last change on this file since 6efcae was 6efcae, checked in by Frederik Heber <heber@…>, 12 years ago

SerializablePotential is new type to be stored in PotentialRegistry.

  • added new class SerializablePotential with operator<<() and ..>>() and a a set of virtual functions to be implemented in deriving classes.
  • added unit test SerializablePotentialUnitTest and mock implementation of such a SerializablePotential.
  • added exceptions, thrown when parsing of potential containing line fails.
  • NOTE: empty name/key of a parameter are not printed on output.
  • Property mode set to 100644
File size: 2.1 KB
Line 
1/*
2 * SerializablePotentialMock.hpp
3 *
4 * Created on: 23.11.2012
5 * Author: heber
6 */
7
8#ifndef SERIALIZABLEPOTENTIALMOCK_HPP_
9#define SERIALIZABLEPOTENTIALMOCK_HPP_
10
11// include config.h
12#ifdef HAVE_CONFIG_H
13#include <config.h>
14#endif
15
16#include <string>
17
18#include "Potentials/SerializablePotential.hpp"
19
20/** This is a test implementation of a SerializablePotential for the unit test.
21 *
22 */
23class SerializablePotentialMock : public SerializablePotential
24{
25public :
26 SerializablePotentialMock() :
27 SerializablePotential(ParticleTypes_t(1, ParticleType_t(1))),
28 params(1, 0)
29 {}
30 ~SerializablePotentialMock() {}
31
32 /* ==== Implementing virtual functions from SerializablePotental ==== */
33
34 /** Return the token name of this specific potential.
35 *
36 * \return token name of the potential
37 */
38 const std::string& getToken() const
39 { return potential_token; }
40
41 /** Returns a vector of parameter names.
42 *
43 * This is required from the specific implementation
44 *
45 * \return vector of strings containing parameter names
46 */
47 const ParameterNames_t& getParameterNames() const
48 { return paramNames; }
49
50 /* ==== Implementing virtual functions from FunctionModel ==== */
51
52 /** Setter for the parameters of the model function.
53 *
54 * \param _params set of parameters to set
55 */
56 void setParameters(const parameters_t &_params);
57
58 /** Getter for the parameters of this model function.
59 *
60 * \return current set of parameters of the model function
61 */
62 parameters_t getParameters() const
63 { return params; }
64
65 /** Getter for the number of parameters of this model function.
66 *
67 * \return number of parameters
68 */
69 size_t getParameterDimension() const
70 { return 1; }
71
72
73 enum parameter_enum_t {
74 dummy_constant=0,
75 MAXPARAMS
76 };
77private:
78 //!> parameter vector with parameters as in enum parameter_enum_t
79 parameters_t params;
80
81private:
82 //!> names of each parameter
83 static const ParameterNames_t paramNames;
84
85 //!> static token of this potential type
86 static const std::string potential_token;
87};
88
89#endif /* SERIALIZABLEPOTENTIALMOCK_HPP_ */
Note: See TracBrowser for help on using the repository browser.