Changeset 1b145f

Timestamp:

Oct 18, 2011, 8:07:56 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, 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:

942906

Parents:

9758f7

git-author:

Frederik Heber <heber@…> (09/16/11 17:06:19)

git-committer:

Frederik Heber <heber@…> (10/18/11 08:07:56)

Message:

Added operator==() to KeySetsContainer and MatrixContainer.

• also added unit test functions for both.

Location:

src/Fragmentation

Files:

• KeySetsContainer.cpp (modified) (1 diff)
• KeySetsContainer.hpp (modified) (1 diff)
• MatrixContainer.cpp (modified) (2 diffs)
• MatrixContainer.hpp (modified) (1 diff)
• unittests/KeySetsContainerUnitTest.cpp (modified) (3 diffs)
• unittests/KeySetsContainerUnitTest.hpp (modified) (2 diffs)
• unittests/Makefile.am (modified) (1 diff)
• unittests/MatrixContainerUnitTest.cpp (modified) (3 diffs)
• unittests/MatrixContainerUnitTest.hpp (modified) (2 diffs)

src/Fragmentation/KeySetsContainer.cpp

@@ -178 +178 @@
 };
 
+/** Comparison operator for class KeySetsContainer.
+ *
+ * @param other instance to compare to
+ * @return true - both instances are the same in each member variable.
+ */
+bool KeySetsContainer::operator==(const KeySetsContainer &other) const
+{
+  // compare KeySets
+  if (KeySets != other.KeySets)
+    return false;
+  // compare OrderSet
+  if (OrderSet != other.OrderSet)
+    return false;
+  // compare AtomCounter
+  if (AtomCounter != other.AtomCounter)
+    return false;
+  // compare FragmentCounter
+  if (FragmentCounter != other.FragmentCounter)
+    return false;
+  // compare Order
+  if (Order != other.Order)
+    return false;
+  // compare FragmentsPerOrder
+  if (FragmentsPerOrder != other.FragmentsPerOrder)
+    return false;
+
+  return true;
+}

src/Fragmentation/KeySetsContainer.hpp

@@ -35 +35 @@
   bool ParseManyBodyTerms();
   bool Contains(const int GreaterSet, const int SmallerSet);
+
+  bool operator==(const KeySetsContainer &other) const;
+
+  bool operator!=(const KeySetsContainer &other) const {
+    return !(*this == other);
+  }
 };
 

src/Fragmentation/MatrixContainer.cpp

@@ -481 +481 @@
 };
 
+/** Comparison operator for class MatrixContainer.
+ *
+ * @param other instance to compare to
+ * @return true - both instances are the same in each member variable.
+ */
+bool MatrixContainer::operator==(const MatrixContainer &other) const
+{
+  // compare matrices
+  if (Matrix != other.Matrix)
+    return false;
+  // compare Indices
+  if (Indices != other.Indices)
+    return false;
+  // compare Headers
+  if (Header != other.Header)
+    return false;
+  // compare MatrixCounter
+  if (MatrixCounter != other.MatrixCounter)
+    return false;
+  // compare RowCounter
+  if (RowCounter != other.RowCounter)
+    return false;
+  // compare ColumnCounter
+  if (ColumnCounter != other.ColumnCounter)
+    return false;
+  return true;
+}
+
 std::ostream & operator << (std::ostream &ost, const MatrixContainer &m)
 {
@@ -495 +523 @@
   return ost;
 }
+

src/Fragmentation/MatrixContainer.hpp

@@ -51 +51 @@
   bool WriteTotalFragments(const std::string name, const std::string prefix);
   bool WriteLastMatrix(const std::string name, const std::string prefix, const std::string suffix);
+
+  bool operator==(const MatrixContainer &other) const;
+
+  bool operator!=(const MatrixContainer &other) const {
+    return !(*this == other);
+  }
 };
 

src/Fragmentation/unittests/KeySetsContainerUnitTest.cpp

@@ -24 +24 @@
 #include <cppunit/ui/text/TestRunner.h>
 
+#include "Fragmentation/KeySetsContainer.hpp"
+
 #include "KeySetsContainerUnitTest.hpp"
 
@@ -38 +40 @@
 void KeySetsContainerTest::setUp()
 {
-
+  Keys = new KeySetsContainer();
 };
 
@@ -44 +46 @@
 void KeySetsContainerTest::tearDown()
 {
+  delete Keys;
+};
+
+/** UnitTest for operator==()
+ */
+void KeySetsContainerTest::EqualityTest()
+{
+  // compare to self
+  CPPUNIT_ASSERT( *Keys == *Keys );
+
+  // create other instance
+  KeySetsContainer *Keys2 = new KeySetsContainer();
+  CPPUNIT_ASSERT( *Keys == *Keys2 );
+  Keys2->Order = 2;
+  CPPUNIT_ASSERT( *Keys != *Keys2 );
+  delete Keys2;
 };
 

src/Fragmentation/unittests/KeySetsContainerUnitTest.hpp

@@ -24 +24 @@
 {
     CPPUNIT_TEST_SUITE( KeySetsContainerTest) ;
+    CPPUNIT_TEST ( EqualityTest );
     CPPUNIT_TEST ( SerializationTest );
     CPPUNIT_TEST_SUITE_END();
@@ -30 +31 @@
       void setUp();
       void tearDown();
+      void EqualityTest();
       void SerializationTest();
 

src/Fragmentation/unittests/Makefile.am

@@ -19 +19 @@
 
 FRAGMENTATIONLIBS = \
-        ../libMolecuilder.la \
+        ../libMolecuilderFragmentation.la \
+        ../libMolecuilderHelpers.la \
         ${CodePatterns_LIBS} \
         $(BOOST_LIB)

src/Fragmentation/unittests/MatrixContainerUnitTest.cpp

@@ -24 +24 @@
 #include <cppunit/ui/text/TestRunner.h>
 
+#include "Fragmentation/MatrixContainer.hpp"
+
 #include "MatrixContainerUnitTest.hpp"
 
@@ -38 +40 @@
 void MatrixContainerTest::setUp()
 {
-
+  MC = new MatrixContainer();
 };
 
@@ -44 +46 @@
 void MatrixContainerTest::tearDown()
 {
+  delete MC;
+};
+
+/** UnitTest for operator==()
+ */
+void MatrixContainerTest::EqualityTest()
+{
+  // compare to self
+  CPPUNIT_ASSERT( *MC == *MC );
+
+  // create other instance
+  MatrixContainer *MC2 = new MatrixContainer();
+  CPPUNIT_ASSERT( *MC == *MC2 );
+  MC2->MatrixCounter = 2;
+  CPPUNIT_ASSERT( *MC != *MC2 );
+  delete MC2;
 };
 

src/Fragmentation/unittests/MatrixContainerUnitTest.hpp

@@ -24 +24 @@
 {
     CPPUNIT_TEST_SUITE( MatrixContainerTest) ;
+    CPPUNIT_TEST ( EqualityTest );
     CPPUNIT_TEST ( SerializationTest );
     CPPUNIT_TEST_SUITE_END();
@@ -30 +31 @@
       void setUp();
       void tearDown();
+      void EqualityTest();
       void SerializationTest();
 
 private:
-      MatrixContainer *Keys;
+      MatrixContainer *MC;
 
 };