Changeset fb69e9 for src/Fragmentation/Summation/unittests

Timestamp:

Nov 15, 2012, 3:12:54 PM (12 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, 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:

8b58ac

Parents:

cd77fc

git-author:

Frederik Heber <heber@…> (08/02/12 17:55:26)

git-committer:

Frederik Heber <heber@…> (11/15/12 15:12:54)

Message:

Added conversion constructor from KeySetsContainer to IndexSetContainer.

• conversion is outsourced from FragmentationAutomationAction.
• FIX: super set would actually get added twice before in above conversion.

Location:

src/Fragmentation/Summation/unittests

Files:

• IndexSetContainerUnitTest.cpp (modified) (2 diffs)
• IndexSetContainerUnitTest.hpp (modified) (2 diffs)
• Makefile.am (modified) (1 diff)

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() );
+
+}

src/Fragmentation/Summation/unittests/IndexSetContainerUnitTest.hpp

@@ -30 +30 @@
     CPPUNIT_TEST ( comparatorTest );
     CPPUNIT_TEST ( insertTest );
+    CPPUNIT_TEST ( KeySetContainerTest );
     CPPUNIT_TEST_SUITE_END();
 
@@ -38 +39 @@
       void comparatorTest();
       void insertTest();
+      void KeySetContainerTest();
 
 private:

src/Fragmentation/Summation/unittests/Makefile.am

@@ -47 +47 @@
         ../Fragmentation/Summation/unittests/IndexSetContainerUnitTest.cpp \
         ../Fragmentation/Summation/unittests/IndexSetContainerUnitTest.hpp
-IndexSetContainerUnitTest_LDADD = ${FRAGMENTATIONSUMMATIONLIBS}
+IndexSetContainerUnitTest_LDADD = \
+        ../libMolecuilderFragmentation.la \
+        ../libMolecuilderHelpers.la \
+        ${FRAGMENTATIONSUMMATIONLIBS}
 
 OrthogonalSummationUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \