source: src/unittests@ c42e60

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
Name Size Rev Age Author Last Change
../
ActionSequenceTest.cpp 7.5 KB ​ 694d84   14 years FrederikHeber MEMFIX: static factories map of UIFactory was not clear()'ed in …
ActionSequenceTest.hpp 887 bytes ​ 694d84   14 years FrederikHeber MEMFIX: static factories map of UIFactory was not clear()'ed in …
ActOnAllUnitTest.cpp 3.8 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
ActOnAllUnitTest.hpp 920 bytes ​ 0a4f7f   15 years Till Crueger Made data internal data-structure of vector class private - Replaced …
analysisbondsunittest.cpp 5.5 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
analysisbondsunittest.hpp 963 bytes ​ 4eb4fe   15 years FrederikHeber "-e <db path>" not necessary anymore. Removed necessity of specifying …
AnalysisCorrelationToPointUnitTest.cpp 4.0 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
AnalysisCorrelationToPointUnitTest.hpp 1.2 KB ​ e5c0a1   14 years Till Crueger Made the periodentafel return only "const element *" instead of …
AnalysisCorrelationToSurfaceUnitTest.cpp 7.8 KB ​ af2c424   14 years FrederikHeber LinkedCell constructor rewritten. - had to introduce …
AnalysisCorrelationToSurfaceUnitTest.hpp 1.6 KB ​ e5c0a1   14 years Till Crueger Made the periodentafel return only "const element *" instead of …
AnalysisPairCorrelationUnitTest.cpp 4.1 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
AnalysisPairCorrelationUnitTest.hpp 1.1 KB ​ e5c0a1   14 years Till Crueger Made the periodentafel return only "const element *" instead of …
AtomDescriptorTest.cpp 5.2 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
AtomDescriptorTest.hpp 750 bytes ​ 88b400   14 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
atomsCalculationTest.cpp 3.1 KB ​ e4afb4   14 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
atomsCalculationTest.hpp 736 bytes ​ 88b400   14 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
bondgraphunittest.cpp 5.1 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
bondgraphunittest.hpp 1.1 KB ​ 4eb4fe   15 years FrederikHeber "-e <db path>" not necessary anymore. Removed necessity of specifying …
BoxUnittest.cpp 76.1 KB ​ cca9ef   14 years FrederikHeber Renamed Matrix to RealSpaceMatrix. - class Matrix only represents 3x3 …
BoxUnittest.hpp 1.1 KB ​ cca9ef   14 years FrederikHeber Renamed Matrix to RealSpaceMatrix. - class Matrix only represents 3x3 …
CacheableTest.cpp 2.0 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
CacheableTest.hpp 509 bytes ​ e3c8b4   15 years Till Crueger Added data structure to allow caching of derived values
CountBondsUnitTest.cpp 8.6 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
CountBondsUnitTest.hpp 1.0 KB ​ 4eb4fe   15 years FrederikHeber "-e <db path>" not necessary anymore. Removed necessity of specifying …
DummyUI.hpp 1.8 KB ​ 6f5dfe   14 years FrederikHeber Added boost::filesystem usage for input files. - parameters for …
FormulaUnittest.cpp 10.0 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
FormulaUnittest.hpp 496 bytes ​ 9f632c   14 years Till Crueger Added Unittest for formula class
infounittest.cpp 1.2 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
infounittest.hpp 569 bytes ​ 8725ed   15 years FrederikHeber New Info class that contains a global verbosity level, increased per …
linearsystemofequationsunittest.cpp 2.8 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
linearsystemofequationsunittest.hpp 960 bytes ​ 57f243   14 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
LineUnittest.cpp 14.4 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
LineUnittest.hpp 913 bytes ​ 57f243   14 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
LinkedCellUnitTest.cpp 12.2 KB ​ af2c424   14 years FrederikHeber LinkedCell constructor rewritten. - had to introduce …
LinkedCellUnitTest.hpp 1.3 KB ​ 4eb4fe   15 years FrederikHeber "-e <db path>" not necessary anymore. Removed necessity of specifying …
listofbondsunittest.cpp 7.8 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
listofbondsunittest.hpp 1.1 KB ​ 4eb4fe   15 years FrederikHeber "-e <db path>" not necessary anymore. Removed necessity of specifying …
logunittest.cpp 1.8 KB ​ e4fe8d   14 years FrederikHeber Moved defs.?pp to subdir (and library) Helpers. - hence, include had …
logunittest.hpp 459 bytes ​ 06c7a3   15 years Saskia Metzler Ticket 43 Create a logging class The verbosity level can now be …
Makefile.am 9.6 KB ​ a564be   14 years FrederikHeber Removed ancient StackClass, replaced by std::deque. - all PopLast …
manipulateAtomsTest.cpp 3.8 KB ​ 694d84   14 years FrederikHeber MEMFIX: static factories map of UIFactory was not clear()'ed in …
manipulateAtomsTest.hpp 756 bytes ​ 694d84   14 years FrederikHeber MEMFIX: static factories map of UIFactory was not clear()'ed in …
MapofActionsTest.cpp 2.4 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
MapofActionsTest.hpp 795 bytes ​ 97ebf8   15 years FrederikHeber Added all commands defined in ParseCommandLineOptions() as Actions. - …
MatrixContentSymmetricUnittest.cpp 6.8 KB ​ bbf1bd   14 years FrederikHeber Extended VectorContent class. - VectorContent formerly has been just …
MatrixContentSymmetricUnittest.hpp 941 bytes ​ 0d4424   14 years FrederikHeber Made gslmatrix obsolete. - Transfered property and swap...() …
MatrixContentUnittest.cpp 6.5 KB ​ bbf1bd   14 years FrederikHeber Extended VectorContent class. - VectorContent formerly has been just …
MatrixContentUnittest.hpp 887 bytes ​ 0d4424   14 years FrederikHeber Made gslmatrix obsolete. - Transfered property and swap...() …
MatrixUnittest.cpp 10.4 KB ​ cca9ef   14 years FrederikHeber Renamed Matrix to RealSpaceMatrix. - class Matrix only represents 3x3 …
MatrixUnittest.hpp 1.1 KB ​ cca9ef   14 years FrederikHeber Renamed Matrix to RealSpaceMatrix. - class Matrix only represents 3x3 …
memoryallocatorunittest.cpp 2.4 KB ​ e4fe8d   14 years FrederikHeber Moved defs.?pp to subdir (and library) Helpers. - hence, include had …
memoryallocatorunittest.hpp 703 bytes ​ be90f1   15 years Saskia Metzler temp commit
memoryusageobserverunittest.cpp 5.4 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
memoryusageobserverunittest.hpp 1.6 KB ​ be90f1   15 years Saskia Metzler temp commit
MenuDescriptionUnitTest.cpp 2.6 KB ​ c82d0c   14 years FrederikHeber MenuDescription is now a singleton. - also all Maps are static …
MenuDescriptionUnitTest.hpp 704 bytes ​ e4afb4   14 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
MoleculeDescriptorTest.cpp 5.9 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
MoleculeDescriptorTest.hpp 830 bytes ​ 88b400   14 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
ObserverTest.cpp 12.5 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
ObserverTest.hpp 1.6 KB ​ 8774c5   14 years Till Crueger Added operator-> for Observed Iterators
ParserCommonUnitTest.cpp 10.3 KB ​ 73916f   14 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
ParserCommonUnitTest.hpp 696 bytes ​ 4fbca9c   14 years FrederikHeber PdbParser::save() fully working. - added UnitTest for PdbParser. - …
ParserTremoloUnitTest.cpp 6.1 KB ​ 73916f   14 years FrederikHeber Extended FormatParser::save() to use vector<atom *> to save. - This …
ParserTremoloUnitTest.hpp 1.1 KB ​ 4fbca9c   14 years FrederikHeber PdbParser::save() fully working. - added UnitTest for PdbParser. - …
periodentafelTest.cpp 3.1 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
periodentafelTest.hpp 798 bytes ​ e5c0a1   14 years Till Crueger Made the periodentafel return only "const element *" instead of …
PlaneUnittest.cpp 7.7 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
PlaneUnittest.hpp 870 bytes ​ 57f243   14 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
RegistryUnitTest.cpp 1.1 KB ​ e4afb4   14 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
RegistryUnitTest.hpp 576 bytes ​ e4afb4   14 years FrederikHeber Huge refactoring: Introduction of Traits to Actions. This change is …
ShapeUnittest.cpp 24.0 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
ShapeUnittest.hpp 1.2 KB ​ 57f243   14 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
SingletonTest.cpp 4.8 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
SingletonTest.hpp 450 bytes ​ d25863   15 years Till Crueger Added Unittest for Singleton pattern
SubspaceFactorizerUnittest.cpp 31.7 KB ​ e828c0   14 years FrederikHeber SubspaceFactorizer is now hierarchical. - higher order subspace …
SubspaceFactorizerUnittest.hpp 1.7 KB ​ e828c0   14 years FrederikHeber SubspaceFactorizer is now hierarchical. - higher order subspace …
tesselation_boundarytriangleunittest.cpp 7.4 KB ​ e4fe8d   14 years FrederikHeber Moved defs.?pp to subdir (and library) Helpers. - hence, include had …
tesselation_boundarytriangleunittest.hpp 1.2 KB ​ 88b400   14 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
tesselation_insideoutsideunittest.cpp 5.8 KB ​ e4fe8d   14 years FrederikHeber Moved defs.?pp to subdir (and library) Helpers. - hence, include had …
tesselation_insideoutsideunittest.hpp 985 bytes ​ 88b400   14 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
tesselationunittest.cpp 6.8 KB ​ e4fe8d   14 years FrederikHeber Moved defs.?pp to subdir (and library) Helpers. - hence, include had …
tesselationunittest.hpp 987 bytes ​ 88b400   14 years FrederikHeber converted #define's to enums, consts and typedefs [Meyers, "Effective …
TestRunnerMain.cpp 682 bytes ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
UnitTestMain.cpp 1.2 KB ​ bcf653   14 years FrederikHeber Added copyright note to each .cpp file and an extensive one to builder.cpp.
VectorContentUnittest.cpp 3.9 KB ​ bbf1bd   14 years FrederikHeber Extended VectorContent class. - VectorContent formerly has been just …
VectorContentUnittest.hpp 981 bytes ​ bbf1bd   14 years FrederikHeber Extended VectorContent class. - VectorContent formerly has been just …
vectorunittest.cpp 8.6 KB ​ e4fe8d   14 years FrederikHeber Moved defs.?pp to subdir (and library) Helpers. - hence, include had …
vectorunittest.hpp 1.5 KB ​ 57f243   14 years FrederikHeber Created libMolecuilderLinearAlgebra. - is shared. - contains the …
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