Changeset 955051 for src/Fragmentation/Summation

Timestamp:

Oct 17, 2013, 7:14:21 AM (11 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

Files:

• Eigenvalues.cpp (modified) (1 diff)
• Eigenvalues.hpp (modified) (2 diffs)
• Histogram.cpp (modified) (4 diffs)
• Histogram.hpp (modified) (1 diff)
• IndexedVectors.cpp (modified) (1 diff)
• IndexedVectors.hpp (modified) (1 diff)
• SamplingGrid.cpp (modified) (5 diffs)
• SamplingGrid.hpp (modified) (3 diffs)
• SamplingGridProperties.cpp (modified) (1 diff)
• SamplingGridProperties.hpp (modified) (2 diffs)
• SamplingGridProperties_inline.hpp (modified) (1 diff)
• unittests/EigenvaluesUnitTest.cpp (added)
• unittests/EigenvaluesUnitTest.hpp (added)
• unittests/FragmentUnitTest.cpp (modified) (1 diff)
• unittests/HistogramUnitTest.cpp (modified) (1 diff)
• unittests/HistogramUnitTest.hpp (modified) (2 diffs)
• unittests/IndexedVectorsUnitTest.cpp (modified) (1 diff)
• unittests/IndexedVectorsUnitTest.hpp (modified) (2 diffs)
• unittests/Makefile.am (modified) (4 diffs)
• unittests/SamplingGridPropertiesUnitTest.cpp (modified) (2 diffs)
• unittests/SamplingGridPropertiesUnitTest.hpp (modified) (2 diffs)
• unittests/SamplingGridUnitTest.cpp (modified) (3 diffs)
• unittests/SamplingGridUnitTest.hpp (modified) (2 diffs)

src/Fragmentation/Summation/SetValues/Eigenvalues.cpp

@@ -98 +98 @@
 }
 
+bool Eigenvalues::operator==(const Eigenvalues& other) const
+{
+  bool status = true;
+  status &= addedsamples == other.addedsamples;
+  status &= subtractedsamples == other.subtractedsamples;
+  return status;
+}
+
 template<> Eigenvalues ZeroInstance<Eigenvalues>()
 {

src/Fragmentation/Summation/SetValues/Eigenvalues.hpp

@@ -20 +20 @@
 class Eigenvalues
 {
+  //!> grant unit test access to private parts
+  friend class EigenvaluesTest;
+  //!> grant output operator access
+  friend std::ostream & operator<<(std::ostream &ost, const Eigenvalues &eigenvalues);
 public:
   //!> named type for a vector of sample values
   typedef std::vector<double> samples_t;
-  //!> grant output operator access
-  friend std::ostream & operator<<(std::ostream &ost, const Eigenvalues &eigenvalues);
 public:
   /** Default constructor for class Eigenvalues.
@@ -71 +73 @@
 //  }
 
+  /** Equality operator.
+   *
+   * @param other other instance to check against
+   * @return true - both are equal, false - some eigenvalues differ
+   */
+  bool operator==(const Eigenvalues& other) const;
+
+  bool operator!=(const Eigenvalues& other) const
+  {
+    return (!(*this == other));
+  }
+
 private:
   //!> typedef for the internal container format

src/Fragmentation/Summation/SetValues/Histogram.cpp

@@ -107 +107 @@
     const_cast<BinLowerEnd &>(offset) = *samples.begin();
     // set binwidth to statistical sensible value
-    MinMax_t MinMax = getMinMaxFromSamples(samples);
+//    MinMax_t MinMax = getMinMaxFromSamples(samples);
 //    const_cast<double &>(binwidth) = (*(MinMax.second) - *(MinMax.first))/pow(samples.size(), 1./3.);
     // and add all samples to these histogram bins
-    addSamples(samples);
-  }
+  }
+  addSamples(samples);
 }
 
@@ -185 +185 @@
     }
     LOG(3, "DEBUG: Bins after adding empties before start are " << printBins() << ".");
-    loweriter = getLowerEndBin(LowerEnd);
-    ASSERT( loweriter != bins.end(),
-        "Histogram::extendMissingBins() - still no lower bound after adding empties.");
   }
   if (upperiter == bins.end()) {
@@ -198 +195 @@
     }
     LOG(3, "DEBUG: Bins after adding empties after end are " << printBins() << ".");
-    upperiter = getHigherEndBin(NextLowerEnd);
-    ASSERT( upperiter != bins.end(),
-        "Histogram::extendMissingBins() - still no upper bound after adding empties.");
-  }
+  }
+  loweriter = getLowerEndBin(LowerEnd);
+  ASSERT( loweriter != bins.end(),
+      "Histogram::extendMissingBins() - still no lower bound after adding empties.");
+  upperiter = getHigherEndBin(NextLowerEnd);
+  ASSERT( upperiter != bins.end(),
+      "Histogram::extendMissingBins() - still no upper bound after adding empties.");
 }
 
@@ -347 +347 @@
 }
 
+bool Histogram::operator==(const Histogram& other) const
+{
+  bool status = true;
+  status &= binwidth == other.binwidth;
+  status &= offset == other.offset;
+  status &= bins == other.bins;
+  return status;
+}
+
 template<> Histogram ZeroInstance<Histogram>()
 {

src/Fragmentation/Summation/SetValues/Histogram.hpp

@@ -126 +126 @@
   void addSamples(const samples_t &samples);
 
+  /** Equality operator.
+   *
+   * @param other other instance to check against
+   * @return true - both are equal, false - some bins differ
+   */
+  bool operator==(const Histogram& other) const;
+
+  bool operator!=(const Histogram& other) const
+  {
+    return (!(*this == other));
+  }
+
 private:
   /** Returns the iterator to the bin representing the lower end into which the \a value fits.

src/Fragmentation/Summation/SetValues/IndexedVectors.cpp

@@ -103 +103 @@
 }
 
+bool IndexedVectors::operator==(const IndexedVectors& other) const
+{
+  bool status = vectors == other.vectors;
+  return status;
+}
+
 std::ostream & operator<<(std::ostream &ost, const IndexedVectors &other)
 {

src/Fragmentation/Summation/SetValues/IndexedVectors.hpp

@@ -102 +102 @@
   { return vectors; }
 
+  /** Equality operator.
+   *
+   * @param other other instance to check against
+   * @return true - both are equal, false - some IndexedVectors differ
+   */
+  bool operator==(const IndexedVectors& other) const;
+
+  bool operator!=(const IndexedVectors& other) const
+  {
+    return (!(*this == other));
+  }
+
 private:
   /** Helper function that contains all the logic of how to superpose two

src/Fragmentation/Summation/SetValues/SamplingGrid.cpp

@@ -266 +266 @@
     const double value, const size_t axis) const
 {
-  const double length = end[axis] - begin[axis];
+  const double length = getTotalLengthPerAxis(axis);
   if ((fabs(length) < std::numeric_limits<double>::epsilon()) || (getGridPointsPerAxis() == 0))
     return begin[axis];
-  if (value > end[axis])
+  if ((value - end[axis]) > -std::numeric_limits<double>::epsilon()*1.e4)
     return end[axis];
   const double offset = value - begin[axis];
-  if (offset < 0)
+  if (offset < std::numeric_limits<double>::epsilon()*1.e4)
     return begin[axis];
   // modify value a little if value actually has been on a grid point but
@@ -279 +279 @@
       floor((double)getGridPointsPerAxis()*(offset/length)
           +std::numeric_limits<double>::epsilon()*1.e4);
-  return factor*(length/(double)getGridPointsPerAxis());
+  return begin[axis]+factor*getDeltaPerAxis(axis);
 }
 
@@ -285 +285 @@
     const double value, const size_t axis) const
 {
-  const double length = end[axis] - begin[axis];
+  const double length = getTotalLengthPerAxis(axis);
   if ((fabs(length) < std::numeric_limits<double>::epsilon()) || (getGridPointsPerAxis() == 0))
     return end[axis];
-  if (value > end[axis])
+  if ((value - end[axis]) > -std::numeric_limits<double>::epsilon()*1.e4)
     return end[axis];
   const double offset = value - begin[axis];
-  if (offset < 0)
+  if (offset < std::numeric_limits<double>::epsilon()*1.e4)
     return begin[axis];
   // modify value a little if value actually has been on a grid point but
@@ -298 +298 @@
       ceil((double)getGridPointsPerAxis()*(offset/length)
           -std::numeric_limits<double>::epsilon()*1.e4);
-  return factor*(length/(double)getGridPointsPerAxis());
+  return begin[axis]+factor*getDeltaPerAxis(axis);
 }
 
@@ -605 +605 @@
 }
 
+
+bool SamplingGrid::operator==(const SamplingGrid &other) const
+{
+  bool status =
+      static_cast<const SamplingGridProperties &>(*this)
+      == static_cast<const SamplingGridProperties &>(other);
+  // compare general properties
+  if (status) {
+    // compare windows
+    for (size_t i=0; i<3; ++i) {
+      status &= begin_window[i] == other.begin_window[i];
+      status &= end_window[i] == other.end_window[i];
+    }
+    // compare grids
+    if (status)
+      status &= sampled_grid == other.sampled_grid;
+  }
+  return status;
+}
+
 std::ostream & operator<<(std::ostream &ost, const SamplingGrid& other)
 {

src/Fragmentation/Summation/SetValues/SamplingGrid.hpp

@@ -22 +22 @@
 
 #include "Fragmentation/Summation/SetValues/SamplingGridProperties.hpp"
+#include "Fragmentation/Summation/ZeroInstance.hpp"
 
 class MPQCData;
@@ -221 +222 @@
       size_t *total) const;
 
+  /** Equality operator.
+   *
+   * @param other other instance to check against
+   * @return true - both are equal, false - grids differ
+   */
+  bool operator==(const SamplingGrid& other) const;
+
+  bool operator!=(const SamplingGrid& other) const
+  {
+    return (!(*this == other));
+  }
+
 private:
   /** Sets the size of the domain.
@@ -394 +407 @@
 std::ostream & operator<<(std::ostream &ost, const SamplingGrid& other);
 
-template<typename T> T ZeroInstance();
 template<> SamplingGrid ZeroInstance<SamplingGrid>();
 

src/Fragmentation/Summation/SetValues/SamplingGridProperties.cpp

@@ -100 +100 @@
 }
 
+
+template<> SamplingGridProperties ZeroInstance<SamplingGridProperties>()
+{
+  SamplingGridProperties returnvalue;
+  return returnvalue;
+}
+
 // we need to explicitly instantiate the serialization functions as
 // its is only serialized through its base class FragmentJob

src/Fragmentation/Summation/SetValues/SamplingGridProperties.hpp

@@ -16 +16 @@
 #include "boost/serialization/export.hpp"
 #include "boost/serialization/array.hpp"
+
+#include "Fragmentation/Summation/ZeroInstance.hpp"
 
 /** This class stores a sample function on a three-dimensional grid.
@@ -136 +138 @@
 };
 
+template<> SamplingGridProperties ZeroInstance<SamplingGridProperties>();
+
 // we need to give this class a unique key for serialization
 // its is only serialized through its base class FragmentJob

src/Fragmentation/Summation/SetValues/SamplingGridProperties_inline.hpp

@@ -61 +61 @@
 }
 
-
 #endif /* SAMPLINGGRIDPROPERTIES_INLINE_HPP_ */

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: