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@…>, 15 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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File size:
1.5 KB
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1 | #ifndef RANDOMNUMBERGENERATORFACTORY_DEF_
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2 | #define RANDOMNUMBERGENERATORFACTORY_DEF_
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3 |
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4 | /** BOOST_PP_SEQ of all random::boost engine types,
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5 | * see see http://www.boost.org/doc/libs/1_45_0/doc/html/boost_random/reference.html#boost_random.reference.concepts
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6 | */
|
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7 | #define engine_seq \
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8 | (minstd_rand0)
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9 |
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10 | /*
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11 | (minstd_rand)\
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12 | (rand48)\
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13 | (ecuyer1988)\
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14 | (kreutzer1986)\
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15 | (taus88)\
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16 | (hellekalek1995)\
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17 | (mt11213b)\
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18 | (mt19937)
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19 | */
|
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20 | #define engine_seq_a \
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21 | (lagged_fibonacci607)
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22 |
|
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23 | /*
|
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24 | (lagged_fibonacci1279)\
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25 | (lagged_fibonacci2281)\
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26 | (lagged_fibonacci3217)\
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27 | (lagged_fibonacci4423)\
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28 | (lagged_fibonacci9689)\
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29 | (lagged_fibonacci19937)\
|
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30 | (lagged_fibonacci23209)\
|
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31 | (lagged_fibonacci44497)\
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32 | (ranlux3)\
|
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33 | (ranlux4)\
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34 | (ranlux64_3)\
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35 | (ranlux64_4)\
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36 | (ranlux3_01)\
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37 | (ranlux4_01)\
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38 | (ranlux64_3_01)\
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39 | (ranlux64_4_01)
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40 | */
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41 | #define engine_seq_size BOOST_PP_SEQ_SIZE(engine_seq)
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42 | #define engine_seq_a_size BOOST_PP_SEQ_SIZE(engine_seq_a)
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43 |
|
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44 | /** BOOST_PP_SEQ of all random::boost distribution types,
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45 | * see see http://www.boost.org/doc/libs/1_45_0/doc/html/boost_random/reference.html#boost_random.reference.concepts
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46 | */
|
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47 | #define distribution_seq \
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48 | (uniform_smallint)\
|
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49 | (uniform_int)
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50 |
|
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51 | /*
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52 | (uniform_01)\
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53 | (uniform_real)\
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54 | (bernoulli_distribution)\
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55 | (binomial_distribution)\
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56 | (cauchy_distribution)\
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57 | (gamma_distribution)\
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58 | (poisson_distribution)\
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59 | (geometric_distribution)\
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60 | (triangle_distribution)\
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61 | (exponential_distribution)\
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62 | (normal_distribution)\
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63 | (lognormal_distribution)\
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64 | (uniform_on_sphere)
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65 | */
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66 | #define distribution_seq_size BOOST_PP_SEQ_SIZE(distribution_seq)
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67 |
|
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68 | #endif /* RANDOMNUMBERGENERATORFACTORY_DEF_ */
|
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