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 3f9eba was 3f9eba, checked in by Frederik Heber <heber@…>, 14 years ago |
New classes for random number generation.
- we use boost::random as a basis. It implements a lot of pseudo-random engines
and various distributions. However, everything is templated and there are no
base classes to store prototypes of the instances in a map. We need these
such that we are able to offer the user at run-time every choice possible.
- Hence, we need to encapsulate all engines, distributions and (engine,
distribution) tuples: RandomNumber..._Encapsulation classes.
- each with an abstract base class as the interface: RandomNumber... classes.
- RandomNumberGeneratorFactory is then a singleton that contains all the
Maps and tables:
- from string (user input is string) to enum (storing enum is more efficient
that a lengthy string)
- from enum to instance (of the abstract class).
- RandomNumberGeneratorFactory is a singleton to allow for global control of
what kind of numbers are generated, hence there are also two new Actions:
- The user in the end only uses two classes: RandomNumberGeneratorFactory
and RandomNumberGenerator. The first only for obtaining a specific variant
of the latter and the latter to generate the numbers (operator() is passed
on to boost::variate_generator::operator()).
- There is a unit test on the RandomNumberGeneratorFactory that checks some
of the table entries and whether one of the RandomNumberGenerator is
working (uniform_smallint so far).
Details:
- As there are ~25 engines and ~15 distributions this makes an enormous amount
of possible combinations. To automatically construct these, we use some
stuff from boost::preprocessor in order to generate enums, tables and maps
automatically just from a sequence of the typenames.
- we have be-friended the unit test a lot to allow for easier testing, e.g.
we need access to internal ..._type to test whether their type is correct.
- cleanUp() purges the instance of RandomNumberGeneratorFactory.
- in RandomNumber..._Encapsulation::name() functions are only used for the
unit tests.
- this all resides in its own subfolder RandomNumbers. So far, it is completely
independent of everything else.
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set to
100644
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File size:
768 bytes
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1 | /*
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2 | * RandomNumberGeneratorFactoryUnitTest.hpp
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3 | *
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4 | * Created on: Dec 31, 2010
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5 | * Author: heber
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6 | */
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7 |
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8 | #ifndef RANDOMNUMBERGENERATORFACTORYUNITTEST_HPP_
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9 | #define RANDOMNUMBERGENERATORFACTORYUNITTEST_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 |
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17 | #include <cppunit/extensions/HelperMacros.h>
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18 |
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19 | class RandomNumberGeneratorFactoryTest : public CppUnit::TestFixture
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20 | {
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21 | CPPUNIT_TEST_SUITE( RandomNumberGeneratorFactoryTest );
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22 | CPPUNIT_TEST ( EngineTest );
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23 | CPPUNIT_TEST ( DistributionTest );
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24 | CPPUNIT_TEST ( GeneratorTest );
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25 | CPPUNIT_TEST_SUITE_END();
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26 |
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27 | public:
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28 | void setUp();
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29 | void tearDown();
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30 |
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31 | void EngineTest();
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32 | void DistributionTest();
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33 | void GeneratorTest();
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34 |
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35 | private:
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36 | };
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37 |
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38 | #endif /* RANDOMNUMBERGENERATORFACTORYUNITTEST_HPP_ */
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