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.
|
-
Property mode
set to
100644
|
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File size:
1.2 KB
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| Line | |
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| 1 | # PLEASE adhere to the alphabetical ordering in this Makefile!
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| 2 | # Also indentation by a single tab
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| 3 |
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| 4 | INCLUDES = -I$(top_srcdir)/src
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| 5 |
|
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| 6 | AM_LDFLAGS = ${CodePatterns_LIBS} $(CPPUNIT_LIBS) -ldl
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| 7 | AM_CPPFLAGS = ${BOOST_CPPFLAGS} $(CPPUNIT_CFLAGS) ${CodePatterns_CFLAGS}
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| 8 |
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| 9 | TESTS = \
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| 10 | RandomNumberGeneratorFactoryUnitTest
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| 11 |
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| 12 |
|
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| 13 | check_PROGRAMS = $(TESTS)
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| 14 | noinst_PROGRAMS = $(TESTS)
|
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| 15 |
|
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| 16 | BOOST_LIB = $(BOOST_LDFLAGS) $(BOOST_MPL_LIB) $(BOOST_PROGRAM_OPTIONS_LIB) $(BOOST_FILESYSTEM_LIB) $(BOOST_SYSTEM_LIB) $(BOOST_THREAD_LIB)
|
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| 17 | GSLLIBS = \
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| 18 | ../../Shapes/libMolecuilderShapes.la \
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| 19 | ../../LinearAlgebra/libMolecuilderLinearAlgebra.la \
|
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| 20 | ../../Exceptions/libMolecuilderExceptions.la \
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| 21 | ${CodePatterns_LIBS} \
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| 22 | $(BOOST_LIB)
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| 23 |
|
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| 24 | ALLLIBS = \
|
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| 25 | ../../UIElements/libMolecuilderUI.la \
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| 26 | ../../Actions/libMolecuilderActions.la \
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| 27 | ${PARSERLIBS} \
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| 28 | ../../libMolecuilder.la \
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| 29 | ${GSLLIBS}
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| 30 |
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| 31 | PARSERLIBS = ../../Parser/libMolecuilderParser.la
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| 32 |
|
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| 33 | RandomNumberGeneratorFactoryUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
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| 34 | RandomNumberGeneratorFactoryUnitTest.cpp \
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| 35 | RandomNumberGeneratorFactoryUnitTest.hpp \
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| 36 | $(srcdir)/../RandomNumberGeneratorFactory.cpp \
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| 37 | $(srcdir)/../RandomNumberGeneratorFactory.hpp
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| 38 | RandomNumberGeneratorFactoryUnitTest_LDADD = ${GSLLIBS}
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| 39 |
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| 40 |
|
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| 41 | #AUTOMAKE_OPTIONS = parallel-tests
|
|---|
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