Changeset 955051 for src/Fragmentation/Summation/SetValues/unittests

Timestamp:

Oct 17, 2013, 7:14:21 AM (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:

58952a

Parents:

e0ae58d

git-author:

Frederik Heber <heber@…> (09/27/13 11:25:35)

git-committer:

Frederik Heber <heber@…> (10/17/13 07:14:21)

Message:

Added (in)equality operators to all SetValues.

• only Fragment and SamplingGridProperties had one so far.
• added serialization tests to SamplingGrid(Properties).
• all are tested by unit test functions.
• added EigenvaluesUnitTest.
• FIX: SamplingGrid::get..GridPoint() did not check bounds with numerical rounding in mind, did fail when begin was not set to origin.
• FIX: SamplingGridUnitTest failed an assert because of given level did not match number of values.

Location:

src/Fragmentation/Summation/SetValues/unittests

Files:

• EigenvaluesUnitTest.cpp (added)
• EigenvaluesUnitTest.hpp (added)
• FragmentUnitTest.cpp (modified) (1 diff)
• HistogramUnitTest.cpp (modified) (1 diff)
• HistogramUnitTest.hpp (modified) (2 diffs)
• IndexedVectorsUnitTest.cpp (modified) (1 diff)
• IndexedVectorsUnitTest.hpp (modified) (2 diffs)
• Makefile.am (modified) (4 diffs)
• SamplingGridPropertiesUnitTest.cpp (modified) (2 diffs)
• SamplingGridPropertiesUnitTest.hpp (modified) (2 diffs)
• SamplingGridUnitTest.cpp (modified) (3 diffs)
• SamplingGridUnitTest.hpp (modified) (2 diffs)

src/Fragmentation/Summation/SetValues/unittests/FragmentUnitTest.cpp

@@ -235 +235 @@
   CPPUNIT_ASSERT( otherfragment == otherfragment );
   CPPUNIT_ASSERT( emptyfragment == emptyfragment );
+
+  // check against ZeroInstance
+  CPPUNIT_ASSERT( *fragment != ZeroInstance<Fragment>() );
+  CPPUNIT_ASSERT( otherfragment != ZeroInstance<Fragment>() );
 }
 

src/Fragmentation/Summation/SetValues/unittests/HistogramUnitTest.cpp

@@ -318 +318 @@
 }
 
+/** UnitTest for operator==()
+ */
+void HistogramTest::equality_Test()
+{
+  Histogram::samples_t sampled_values;
+  sampled_values += 1.,2.,3.,4.;
+  histogram = new Histogram(sampled_values, 1., 1.);
+
+  // create different histogram
+  Histogram::samples_t more_values;
+  more_values += 0.5, 1.25, 2.5,3., 4.2;
+  Histogram otherhistogram(more_values, 0.5, .625);
+
+  CPPUNIT_ASSERT( !(*histogram == otherhistogram) );
+  CPPUNIT_ASSERT( *histogram != otherhistogram );
+
+  // test against empty histogram
+  Histogram emptyhistogram;
+  CPPUNIT_ASSERT( !(*histogram == emptyhistogram) );
+  CPPUNIT_ASSERT( *histogram != emptyhistogram );
+
+  // tests against themselves
+  CPPUNIT_ASSERT( *histogram == *histogram );
+  CPPUNIT_ASSERT( otherhistogram == otherhistogram );
+  CPPUNIT_ASSERT( emptyhistogram == emptyhistogram );
+
+  // check against ZeroInstance
+  CPPUNIT_ASSERT( *histogram != ZeroInstance<Histogram>() );
+  CPPUNIT_ASSERT( otherhistogram != ZeroInstance<Histogram>() );
+}

src/Fragmentation/Summation/SetValues/unittests/HistogramUnitTest.hpp

@@ -33 +33 @@
     CPPUNIT_TEST ( operatorPlusEqual_Test );
     CPPUNIT_TEST ( operatorMinusEqual_Test );
+    CPPUNIT_TEST ( equality_Test );
     CPPUNIT_TEST_SUITE_END();
 
@@ -47 +48 @@
       void operatorPlusEqual_Test();
       void operatorMinusEqual_Test();
+      void equality_Test();
 
 private:

src/Fragmentation/Summation/SetValues/unittests/IndexedVectorsUnitTest.cpp

@@ -183 +183 @@
 }
 
+
+/** UnitTest for operator==()
+ */
+void IndexedVectorsTest::equality_Test()
+{
+  CPPUNIT_ASSERT( !(*ivectors == *otherivectors) );
+  CPPUNIT_ASSERT( *ivectors != *otherivectors );
+
+  // test against empty ivectors
+  IndexedVectors emptyivectors;
+  CPPUNIT_ASSERT( !(*ivectors == emptyivectors) );
+  CPPUNIT_ASSERT( *ivectors != emptyivectors );
+
+  // tests against themselves
+  CPPUNIT_ASSERT( *ivectors == *ivectors );
+  CPPUNIT_ASSERT( *otherivectors == *otherivectors );
+  CPPUNIT_ASSERT( emptyivectors == emptyivectors );
+
+  // check against ZeroInstance
+  CPPUNIT_ASSERT( *ivectors != ZeroInstance<IndexedVectors>() );
+  CPPUNIT_ASSERT( *otherivectors != ZeroInstance<IndexedVectors>() );
+}

src/Fragmentation/Summation/SetValues/unittests/IndexedVectorsUnitTest.hpp

@@ -27 +27 @@
     CPPUNIT_TEST ( operatorPlusEqual_Test );
     CPPUNIT_TEST ( operatorMinusEqual_Test );
+    CPPUNIT_TEST ( equality_Test );
     CPPUNIT_TEST_SUITE_END();
 
@@ -35 +36 @@
       void operatorPlusEqual_Test();
       void operatorMinusEqual_Test();
+      void equality_Test();
 
 private:

src/Fragmentation/Summation/SetValues/unittests/Makefile.am

@@ -3 +3 @@
 
 FRAGMENTATIONSETVALUESTESTSSOURCES = \
+        ../Fragmentation/Summation/SetValues/unittests/EigenvaluesUnitTest.cpp \
         ../Fragmentation/Summation/SetValues/unittests/FragmentUnitTest.cpp \
         ../Fragmentation/Summation/SetValues/unittests/HistogramUnitTest.cpp \
@@ -10 +11 @@
 
 FRAGMENTATIONSETVALUESTESTSHEADERS = \
+        ../Fragmentation/Summation/SetValues/unittests/EigenvaluesUnitTest.hpp \
         ../Fragmentation/Summation/SetValues/unittests/FragmentUnitTest.hpp \
         ../Fragmentation/Summation/SetValues/unittests/HistogramUnitTest.hpp \
@@ -17 +19 @@
 
 FRAGMENTATIONSETVALUESTESTS = \
+        EigenvaluesUnitTest \
         FragmentUnitTest \
         HistogramUnitTest \
@@ -31 +34 @@
         ${CodePatterns_LIBS} \
         $(BOOST_LIB)
+
+EigenvaluesUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
+        ../Fragmentation/Summation/SetValues/unittests/EigenvaluesUnitTest.cpp \
+        ../Fragmentation/Summation/SetValues/unittests/EigenvaluesUnitTest.hpp
+EigenvaluesUnitTest_LDADD = \
+        ${FRAGMENTATIONSETVALUESLIBS} \
+        $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS)
 
 FragmentUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \

src/Fragmentation/Summation/SetValues/unittests/SamplingGridPropertiesUnitTest.cpp

@@ -39 +39 @@
 #include <cppunit/extensions/TestFactoryRegistry.h>
 #include <cppunit/ui/text/TestRunner.h>
+
+// include headers that implement a archive in simple text format
+#include <boost/archive/text_oarchive.hpp>
+#include <boost/archive/text_iarchive.hpp>
 
 #include "SamplingGridPropertiesUnitTest.hpp"
@@ -123 +127 @@
   CPPUNIT_ASSERT( *props != moreotherprops );
   CPPUNIT_ASSERT( moreotherprops != *props );
+
+  // check against ZeroInstance
+  CPPUNIT_ASSERT( *props != ZeroInstance<SamplingGridProperties>() );
+  CPPUNIT_ASSERT( sameprops != ZeroInstance<SamplingGridProperties>() );
+  CPPUNIT_ASSERT( otherprops != ZeroInstance<SamplingGridProperties>() );
+  CPPUNIT_ASSERT( anotherprops != ZeroInstance<SamplingGridProperties>() );
+  CPPUNIT_ASSERT( moreotherprops != ZeroInstance<SamplingGridProperties>() );
 }
 
+
+/** UnitTest for serialization
+ */
+void SamplingGridPropertiesTest::serializeTest()
+{
+  // serialize
+  std::stringstream outputstream;
+  boost::archive::text_oarchive oa(outputstream);
+  oa << props;
+
+  // deserialize
+  SamplingGridProperties *sameprops = NULL;
+  std::stringstream returnstream(outputstream.str());
+  boost::archive::text_iarchive ia(returnstream);
+  ia >> sameprops;
+
+  CPPUNIT_ASSERT( sameprops != NULL );
+  CPPUNIT_ASSERT( *props == *sameprops );
+
+  delete sameprops;
+}

src/Fragmentation/Summation/SetValues/unittests/SamplingGridPropertiesUnitTest.hpp

@@ -26 +26 @@
     CPPUNIT_TEST ( isCompatible_Test );
     CPPUNIT_TEST ( equality_Test );
+    CPPUNIT_TEST ( serializeTest );
     CPPUNIT_TEST_SUITE_END();
 
@@ -33 +34 @@
       void isCompatible_Test();
       void equality_Test();
+      void serializeTest();
 
 private:

src/Fragmentation/Summation/SetValues/unittests/SamplingGridUnitTest.cpp

@@ -39 +39 @@
 #include <cppunit/extensions/TestFactoryRegistry.h>
 #include <cppunit/ui/text/TestRunner.h>
+
+// include headers that implement a archive in simple text format
+#include <boost/archive/text_oarchive.hpp>
+#include <boost/archive/text_iarchive.hpp>
 
 #include "SamplingGridUnitTest.hpp"
@@ -131 +135 @@
 
   // differing windows
-  const double begin_window[3] = { 0.5, 0.5, 0.5 };
-  const double end_window[3] = { 1., 1., 1. };
+//  const double begin_window[3] = { 0.5, 0.5, 0.5 };
+//  const double end_window[3] = { 1., 1., 1. };
   const double otherbegin_window[3] = { 0.45, 0.45, 0.45 };
   const double otherend_window[3] = { 1.05, 1.05, 1.05 };
@@ -422 +426 @@
 }
 
+
+/** UnitTest for operator==()
+ */
+void SamplingGridTest::equality_Test()
+{
+  const double begin[3] = { 0., 0., 0. };
+  const double otherbegin[3] = { .5, 0.1, -0.5 };
+  const double end[3] = { 1., 1., 1. };
+  const double otherend[3] = { 2., 2., 2. };
+  const double begin_window[3] = { 0., 0., 0. };
+  const double otherbegin_window[3] = { .75, 0.1, 0. };
+  const double end_window[3] = { 1., 1., 1. };
+  const double otherend_window[3] = { .9, .9, .9 };
+
+  // create other grid
+  SamplingGrid samegrid(begin, end, 2, values);
+  SamplingGrid differentbegin(otherbegin, end, 2, values);
+  SamplingGrid differentend(begin, otherend, 2, values);
+  SamplingGrid::sampledvalues_t morevalues;
+  {
+    const double othergrid_value = 1.5;
+    for (size_t i=0; i< NUMBEROFSAMPLES(4); ++i)
+      morevalues += othergrid_value;
+  }
+  SamplingGrid differentlevel(begin, end, 4, morevalues);
+  SamplingGrid::sampledvalues_t othervalues;
+  {
+    const double othergrid_value = 1.5;
+    for (size_t i=0; i< NUMBEROFSAMPLES(2); ++i)
+      othervalues += othergrid_value;
+  }
+  SamplingGrid differentvalues(begin, end, 2, othervalues);
+
+  // check for same level, begin, and end
+  CPPUNIT_ASSERT( *grid == *grid );
+  CPPUNIT_ASSERT( *grid == samegrid );
+  CPPUNIT_ASSERT( samegrid == *grid);
+  CPPUNIT_ASSERT( *grid != differentbegin);
+  CPPUNIT_ASSERT( differentbegin != *grid);
+  CPPUNIT_ASSERT( *grid != differentend );
+  CPPUNIT_ASSERT( differentend != *grid );
+  CPPUNIT_ASSERT( *grid != differentlevel );
+  CPPUNIT_ASSERT( differentlevel != *grid );
+
+  // check for all but differing values
+  CPPUNIT_ASSERT( *grid != differentvalues );
+  CPPUNIT_ASSERT( differentvalues != *grid );
+
+  // check for different windows
+  SamplingGrid differentwindowbegin(begin, end, 2);
+  differentwindowbegin.setWindow(otherbegin_window, end_window);
+  SamplingGrid differentwindowend(begin, end, 2);
+  differentwindowend.setWindow(begin_window, otherend_window);
+  CPPUNIT_ASSERT( *grid != differentwindowbegin );
+  CPPUNIT_ASSERT( differentwindowbegin != *grid );
+  CPPUNIT_ASSERT( *grid != differentwindowend );
+  CPPUNIT_ASSERT( differentwindowend != *grid );
+
+  // check against ZeroInstance
+  CPPUNIT_ASSERT( *grid != ZeroInstance<SamplingGrid>() );
+  CPPUNIT_ASSERT( samegrid != ZeroInstance<SamplingGrid>() );
+  CPPUNIT_ASSERT( differentbegin != ZeroInstance<SamplingGrid>() );
+  CPPUNIT_ASSERT( differentend != ZeroInstance<SamplingGrid>() );
+  CPPUNIT_ASSERT( differentlevel != ZeroInstance<SamplingGrid>() );
+  CPPUNIT_ASSERT( differentvalues != ZeroInstance<SamplingGrid>() );
+  CPPUNIT_ASSERT( differentwindowbegin != ZeroInstance<SamplingGrid>() );
+  CPPUNIT_ASSERT( differentwindowend != ZeroInstance<SamplingGrid>() );
+}
+
+/** UnitTest for serialization
+ */
+void SamplingGridTest::serializeTest()
+{
+  // serialize
+  std::stringstream outputstream;
+  boost::archive::text_oarchive oa(outputstream);
+  oa << grid;
+
+  // deserialize
+  SamplingGrid *samegrid = NULL;
+  std::stringstream returnstream(outputstream.str());
+  boost::archive::text_iarchive ia(returnstream);
+  ia >> samegrid;
+
+  CPPUNIT_ASSERT( samegrid != NULL );
+  CPPUNIT_ASSERT( *grid == *samegrid );
+
+  delete samegrid;
+}

src/Fragmentation/Summation/SetValues/unittests/SamplingGridUnitTest.hpp

@@ -35 +35 @@
     CPPUNIT_TEST ( addOntoWindow_Test );
     CPPUNIT_TEST ( addOntoWindow_asymmetric_Test );
+    CPPUNIT_TEST ( equality_Test );
+    CPPUNIT_TEST ( serializeTest );
     CPPUNIT_TEST_SUITE_END();
 
@@ -51 +53 @@
       void operatorPlusEqual_Test();
       void operatorMinusEqual_Test();
+      void equality_Test();
+      void serializeTest();
 
 private: