Changeset 6e06bd for src/unittests/BoxUnittest.cpp

Timestamp:

Dec 5, 2010, 12:19:19 AM (15 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, Candidate_v1.7.0, 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:

f03705

Parents:

589112 (diff), bbf1bd (diff)
Note: this is a merge changeset, the changes displayed below correspond to the merge itself.
Use the (diff) links above to see all the changes relative to each parent.

Message:

Merge branch 'MatrixVectorContentRefactoring' into stable

File:

• src/unittests/BoxUnittest.cpp (modified) (2 diffs)

src/unittests/BoxUnittest.cpp

@@ -29 +29 @@
 
 #include "LinearAlgebra/Vector.hpp"
-#include "LinearAlgebra/Matrix.hpp"
+#include "LinearAlgebra/RealSpaceMatrix.hpp"
 #include "Box.hpp"
 #include "Helpers/Assert.hpp"
@@ -40 +40 @@
 void BoxUnittest::setUp(){
   ASSERT_DO(Assert::Throw);
-  unit = new Matrix;
-  unit->one();
-  zero = new Matrix;
-  invertible = new Matrix;
+  unit = new RealSpaceMatrix;
+  unit->setIdentity();
+  zero = new RealSpaceMatrix;
+  invertible = new RealSpaceMatrix;
   invertible->diagonal() = Vector(1,2,3);
-  uninvertible = new Matrix;
+  uninvertible = new RealSpaceMatrix;
   uninvertible->column(0) = Vector(1,0,1);
   uninvertible->column(2) = Vector(1,0,1);
 
-  Matrix boxMat;
+  RealSpaceMatrix boxMat;
   unitBox = new Box;
   stretchedBox1 = new Box;
-  boxMat.one();
+  boxMat.setIdentity();
   boxMat.diagonal() = Vector(1,2,3);
   stretchedBox1->setM(boxMat);
 
   stretchedBox2 = new Box;
-  boxMat.one();
+  boxMat.setIdentity();
   boxMat.diagonal() = Vector(2,3,1);
   stretchedBox2->setM(boxMat);
 
   stretchedBox3 = new Box;
-  boxMat.one();
+  boxMat.setIdentity();
   boxMat.diagonal() = Vector(3,1,2);
   stretchedBox3->setM(boxMat);
 
   stretchedBox4 = new Box;
-  boxMat.one();
+  boxMat.setIdentity();
   boxMat.diagonal() = Vector(2,2,2);
   stretchedBox4->setM(boxMat);
 
   tiltedBox1 = new Box;
-  boxMat.one();
+  boxMat.setIdentity();
   boxMat.column(0) = Vector(1,0,1);
   tiltedBox1->setM(boxMat);
 
   tiltedBox2 = new Box;
-  boxMat.one();
+  boxMat.setIdentity();
   boxMat.column(0) = Vector(1,1,1);
   tiltedBox2->setM(boxMat);
 
   tiltedBox3 = new Box;
-  boxMat.one();
+  boxMat.setIdentity();
   boxMat.column(1) = Vector(0,1,1);
   tiltedBox3->setM(boxMat);
 
   tiltedBox4 = new Box;
-  boxMat.one();
+  boxMat.setIdentity();
   boxMat.column(0) = Vector(1,1,1);
   boxMat.column(1) = Vector(0,1,1);