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
Last change
on this file since d5ca1a was b760bc3, checked in by Frederik Heber <heber@…>, 12 years ago |
Added ParticleTypeChecker functions in own namespace and added checks to every specific potential.
- these check whether typesin argument_t matches with potential's
ParticleTypes.
- replaced row of Asserts with ParticleTypeChecker call in all specific
potentials.
|
-
Property mode
set to
100644
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File size:
1.2 KB
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Rev | Line | |
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[b760bc3] | 1 | /*
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| 2 | * ParticleTypeCheckers.hpp
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| 3 | *
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| 4 | * Created on: Nov 28, 2012
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| 5 | * Author: heber
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| 6 | */
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| 7 |
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| 8 | #ifndef PARTICLETYPECHECKERS_HPP_
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| 9 | #define PARTICLETYPECHECKERS_HPP_
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| 10 |
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| 11 |
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| 12 | // include config.h
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| 13 | #ifdef HAVE_CONFIG_H
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| 14 | #include <config.h>
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| 15 | #endif
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| 16 |
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| 17 | #include "FunctionApproximation/FunctionModel.hpp"
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| 18 | #include "Potentials/SerializablePotential.hpp"
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| 19 |
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| 20 | namespace ParticleTypeChecker {
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| 21 |
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| 22 | /** Checks whether two given vectors of particle types are exactly the same.
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| 23 | *
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| 24 | * @param args first vector of types
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| 25 | * @param types second vector of types
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| 26 | * @return true - both vectors are the same.
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| 27 | */
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| 28 | bool checkArgumentsAgainstParticleTypesStrictOrdering(
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| 29 | const FunctionModel::arguments_t &args,
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| 30 | const SerializablePotential::ParticleTypes_t &types
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| 31 | );
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| 32 |
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| 33 | /** Checks whether two given vectors of particle types are the same with
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| 34 | * permutations allowed.
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| 35 | *
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| 36 | * @param args first vector of types
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| 37 | * @param types second vector of types
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| 38 | * @return true - both vectors are the same, might be permuted though
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| 39 | */
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| 40 | bool checkArgumentsAgainstParticleTypes(
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| 41 | const FunctionModel::arguments_t &args,
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| 42 | const SerializablePotential::ParticleTypes_t &types
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| 43 | );
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| 44 |
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| 45 | }; /* namespace ParticleTypeChecker */
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| 46 |
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| 47 |
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| 48 | #endif /* PARTICLETYPECHECKERS_HPP_ */
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