source: tests/regression/Makefile.am@ 3f9eba

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.
  • Property mode set to 100755
File size: 3.6 KB
RevLine 
[b2b47f]1AUTOM4TE = autom4te
[490038]2EXTRA_DIST = \
3 testsuite*.at \
4 $(TESTSUITE) \
5 atlocal.in \
6 molecuider.in \
7 Analysis \
8 Domain \
9 Filling \
10 Fragmentation \
11 Graph \
12 Molecules \
[3f9eba]13 RandomNumbers \
[512f85]14 Selection \
[490038]15 Simple_configuration \
16 Tesselation
[b2b47f]17TESTSUITE = $(srcdir)/testsuite
18
[512f85]19TESTSCRIPTS = \
[cd7a87]20 $(srcdir)/Analysis/testsuite-analysis.at \
21 $(srcdir)/Analysis/testsuite-analysis-pair-correlation.at \
22 $(srcdir)/Analysis/testsuite-analysis-point-correlation.at \
23 $(srcdir)/Analysis/testsuite-analysis-surface-correlation.at \
[4782599]24 $(srcdir)/Analysis/PrincipalAxisSystem/testsuite-analysis-principal-axis-system.at \
[cd7a87]25 $(srcdir)/Analysis/testsuite-analysis-angular-dipole-correlation-empty.at \
26 $(srcdir)/Analysis/testsuite-analysis-angular-dipole-correlation-discrete-angles.at \
27 $(srcdir)/Analysis/testsuite-analysis-angular-dipole-correlation-random-distribution.at \
[512f85]28 $(srcdir)/testsuite-domain.at \
[d6f886]29 $(srcdir)/Filling/testsuite-filling.at \
30 $(srcdir)/Filling/testsuite-fill-with-molecule.at \
31 $(srcdir)/Filling/testsuite-suspend-in-water.at \
32 $(srcdir)/Filling/testsuite-fill-void-with-molecule.at \
[512f85]33 $(srcdir)/testsuite-fragmentation.at \
34 $(srcdir)/testsuite-graph.at \
35 $(srcdir)/testsuite-molecules.at \
36 $(srcdir)/testsuite-simple_configuration.at \
[3f9eba]37 $(srcdir)/RandomNumbers/testsuite-randomnumbers.at \
38 $(srcdir)/RandomNumbers/Distribution/testsuite-set-random-number-distribution.at \
39 $(srcdir)/RandomNumbers/Engine/testsuite-set-random-number-engine.at \
[512f85]40 $(srcdir)/Selection/testsuite-selection.at \
41 $(srcdir)/Selection/Atoms/testsuite-selection-all-atoms.at \
42 $(srcdir)/Selection/Atoms/testsuite-selection-atoms-by-element.at \
43 $(srcdir)/Selection/Atoms/testsuite-selection-atom-by-id.at \
44 $(srcdir)/Selection/Atoms/testsuite-selection-atoms-inside-cuboid.at \
45 $(srcdir)/Selection/Atoms/testsuite-selection-atoms-inside-sphere.at \
46 $(srcdir)/Selection/Atoms/testsuite-selection-atoms-of-molecule.at \
47 $(srcdir)/Selection/Atoms/testsuite-selection-clear-atoms.at \
[c77ac8]48 $(srcdir)/Selection/Molecules/testsuite-selection-all-molecules.at \
49 $(srcdir)/Selection/Molecules/testsuite-selection-clear-molecules.at \
50 $(srcdir)/Selection/Molecules/testsuite-selection-molecules-by-formula.at \
51 $(srcdir)/Selection/Molecules/testsuite-selection-molecule-by-id.at \
52 $(srcdir)/Selection/Molecules/testsuite-selection-molecules-by-name.at \
53 $(srcdir)/Selection/Molecules/testsuite-selection-molecules-of-atoms.at \
[512f85]54 $(srcdir)/testsuite-specifics.at \
55 $(srcdir)/testsuite-standard_options.at \
56 $(srcdir)/testsuite-tesselation.at
57
58
[97b825]59max_jobs = 4
60
[b2b47f]61check-local: atconfig atlocal package.m4 $(TESTSUITE)
[458447]62 nrjobs=; \
[97b825]63 for flag in $$MAKEFLAGS; do \
64 case $$flag in \
65 --* | =*=) ;; \
[458447]66 *j*) nrjobs="-j$(max_jobs)" ;; \
[97b825]67 esac; \
[458447]68 done; \
69 $(SHELL) '$(TESTSUITE)' $$nrjobs $(TESTSUITEFLAGS)
[b2b47f]70
71installcheck-local: atconfig atlocal $(TESTSUITE)
[97b825]72 $(SHELL) '$(TESTSUITE)' AUTOTEST_PATH='$(bindir)' \
73 $(TESTSUITEFLAGS)
74
[b2b47f]75clean-local:
[97b825]76 test ! -f '$(TESTSUITE)' || \
77 $(SHELL) '$(TESTSUITE)' --clean
[b2b47f]78
79AUTOTEST = $(AUTOM4TE) --language=autotest
[512f85]80$(TESTSUITE): $(srcdir)/testsuite.at $(TESTSCRIPTS)
[97b825]81 $(AUTOTEST) -I '$(srcdir)' -o $@.tmp $@.at
82 mv $@.tmp $@
[b2b47f]83
84# The `:;' works around a Bash 3.2 bug when the output is not writeable.
85$(srcdir)/package.m4: $(top_srcdir)/configure.ac
[97b825]86 :;{ \
87 echo '# Signature of the current package.' && \
88 echo 'm4_define([AT_PACKAGE_NAME], [@PACKAGE_NAME@])' && \
89 echo 'm4_define([AT_PACKAGE_TARNAME], [@PACKAGE_TARNAME@])' && \
90 echo 'm4_define([AT_PACKAGE_VERSION], [@PACKAGE_VERSION@])' && \
91 echo 'm4_define([AT_PACKAGE_STRING], [@PACKAGE_STRING@])' && \
92 echo 'm4_define([AT_PACKAGE_BUGREPORT], [@PACKAGE_BUGREPORT@])'; \
93 } >'$(srcdir)/package.m4'
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