Changeset 36bb2d for src/Fragmentation/Summation/unittests/IndexSetContainerUnitTest.cpp

Timestamp:

Nov 20, 2012, 11:04:12 AM (13 years ago)

Author:

Frederik Heber <heber@…>

Branches:

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, Candidate_v1.7.0, Candidate_v1.7.1, 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

Children:

a22e05

Parents:

cebac0 (diff), a1436b (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'VMGJob_SamplingNucleiCharges' into Candidate_v1.3.5

File:

• src/Fragmentation/Summation/unittests/IndexSetContainerUnitTest.cpp (modified) (2 diffs)

src/Fragmentation/Summation/unittests/IndexSetContainerUnitTest.cpp

@@ -45 +45 @@
 #include <boost/assign.hpp>
 #include <boost/foreach.hpp>
+
+#include "Fragmentation/KeySetsContainer.hpp"
 
 #ifdef HAVE_TESTRUNNER
@@ -138 +140 @@
   CPPUNIT_ASSERT( !SV->ContainerSorted );
 }
+
+/** Unit tests for cstr(KeySetsContainer)
+ *
+ */
+void IndexSetContainerTest::KeySetContainerTest()
+{
+  KeySetsContainer keysets;
+  KeySetsContainer::IntVector vector1;
+  vector1 += 1,-1;
+  KeySetsContainer::IntVector vector2;
+  vector2 += -1,1,2,-1;
+  keysets.KeySets.push_back(vector1);
+  keysets.KeySets.push_back(vector2);
+  SV = new IndexSetContainer(keysets);
+
+  // check sets
+  CPPUNIT_ASSERT_EQUAL( (size_t)2, SV->getContainer().size() );
+  CPPUNIT_ASSERT_EQUAL( (size_t)1, SV->getContainer()[0]->size() );
+  CPPUNIT_ASSERT_EQUAL( (size_t)2, SV->getContainer()[1]->size() );
+
+}
+
+/** Unit tests for countSetsTillLevel()
+ *
+ */
+void IndexSetContainerTest::countSetsTillLevelTest()
+{
+  SV = new IndexSetContainer(allsets);
+
+  CPPUNIT_ASSERT_EQUAL( (size_t)0, SV->countSetsTillLevel(0) );
+  CPPUNIT_ASSERT_EQUAL( (size_t)2, SV->countSetsTillLevel(1) );
+  CPPUNIT_ASSERT_EQUAL( (size_t)4, SV->countSetsTillLevel(2) );
+  CPPUNIT_ASSERT_EQUAL( (size_t)5, SV->countSetsTillLevel(3) );
+  CPPUNIT_ASSERT_EQUAL( (size_t)6, SV->countSetsTillLevel(4) );
+  CPPUNIT_ASSERT_EQUAL( (size_t)6, SV->countSetsTillLevel(5) );
+}