Changeset 0eb2dc

Timestamp:

Jul 7, 2010, 1:57:05 PM (14 years ago)

Author:

Tillmann Crueger <crueger@…>

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:

5630bd

Parents:

3dbb9d

Message:

Added comparison Operator to matrix class

Location:

src

Files:

• Matrix.cpp (modified) (1 diff)
• Matrix.hpp (modified) (1 diff)
• unittests/Makefile.am (modified) (4 diffs)

src/Matrix.cpp

@@ -228 +228 @@
 }
 
+bool Matrix::operator==(const Matrix &rhs) const{
+  for(int i=NDIM;i--;){
+    for(int j=NDIM;j--;){
+      if(fabs(at(i,j)-rhs.at(i,j))>MYEPSILON){
+        return false;
+      }
+    }
+  }
+  return true;
+}
+
 /** Blows the 6-dimensional \a cell_size array up to a full NDIM by NDIM matrix.
  * \param *symm 6-dim array of unique symmetric matrix components

src/Matrix.hpp

@@ -109 +109 @@
   Matrix operator*(const Matrix&) const;
 
+  bool operator==(const Matrix&) const;
+
 private:
   Matrix(MatrixContent*);

src/unittests/Makefile.am

@@ -31 +31 @@
   LogUnitTest \
   manipulateAtomsTest \
+  MatrixUnittest \
   MoleculeDescriptorTest \
   ObserverTest \
@@ -74 +75 @@
   listofbondsunittest.cpp \
   logunittest.cpp \
+  MatrixUnittest.cpp \
   manipulateAtomsTest.cpp \
   MoleculeDescriptorTest.cpp \
@@ -110 +112 @@
   logunittest.hpp \
   manipulateAtomsTest.hpp \
+  MatrixUnittest.hpp \
   MoleculeDescriptorTest.hpp \
   periodentafelTest.hpp \
@@ -185 +188 @@
 manipulateAtomsTest_LDADD = ${ALLLIBS}
 
+MatrixUnittest_SOURCES = UnitTestMain.cpp MatrixUnittest.cpp MatrixUnittest.hpp
+MatrixUnittest_LDADD = ${ALLLIBS}
+
 MoleculeDescriptorTest_SOURCES = UnitTestMain.cpp MoleculeDescriptorTest.cpp MoleculeDescriptorTest.hpp
 MoleculeDescriptorTest_LDADD = ${ALLLIBS}