Changeset 9b410d for src/LinearAlgebra/unittests

Timestamp:

Apr 6, 2011, 1:10:31 PM (14 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:

06aedc

Parents:

1be8a5

git-author:

Frederik Heber <heber@…> (03/14/11 13:54:08)

git-committer:

Frederik Heber <heber@…> (04/06/11 13:10:31)

Message:

Replace MYEPSILON in LinearAlgebra/ by LINALG_MYEPSILON.

• this is preparatory for external use lib libmolecuilderLinearAlgebra.
• new file LinearAlgebra/defs.hpp.

Location:

src/LinearAlgebra/unittests

Files:

• LinearSystemOfEquationsUnitTest.cpp (modified) (3 diffs)
• MatrixUnitTest.cpp (modified) (3 diffs)
• PlaneUnitTest.cpp (modified) (2 diffs)
• VectorUnitTest.cpp (modified) (3 diffs)

src/LinearAlgebra/unittests/LinearSystemOfEquationsUnitTest.cpp

@@ -20 +20 @@
 using namespace std;
 
-#include <iomanip>
+#include <limits>
 #include <cppunit/CompilerOutputter.h>
 #include <cppunit/extensions/TestFactoryRegistry.h>
@@ -26 +26 @@
 #include <cmath>
 
+#include "LinearAlgebra/defs.hpp"
 #include "LinearAlgebra/Vector.hpp"
 
@@ -117 +118 @@
   s->GetSolutionAsArray(array);
   for (int i=0;i<4;i++) {
-    CPPUNIT_ASSERT( fabs(x_array[i] - array[i]) < MYEPSILON );
+    CPPUNIT_ASSERT( fabs(x_array[i] - array[i]) <= LINALG_MYEPSILON );
   }
   delete[](array);

src/LinearAlgebra/unittests/MatrixUnitTest.cpp

@@ -23 +23 @@
 
 #include <cmath>
+#include <limits>
 
 #include "MatrixUnitTest.hpp"
+#include "LinearAlgebra/defs.hpp"
+#include "LinearAlgebra/RealSpaceMatrix.hpp"
 #include "LinearAlgebra/Vector.hpp"
-#include "LinearAlgebra/RealSpaceMatrix.hpp"
 #include "Exceptions/NotInvertibleException.hpp"
 
@@ -190 +192 @@
 
   res =(*zero) *(*zero);
-  std::cout << *zero << " times " << *zero << " is " << res << std::endl;
+  //std::cout << *zero << " times " << *zero << " is " << res << std::endl;
   CPPUNIT_ASSERT_EQUAL(res,*zero);
   res =(*zero) *(*one);
@@ -269 +271 @@
   // arbitrary rotation matrix has det = 1
   res.setRotation(M_PI/3.,1.,M_PI/7.);
-  CPPUNIT_ASSERT(fabs(fabs(res.determinant()) -1.) < MYEPSILON);
+  CPPUNIT_ASSERT(fabs(fabs(res.determinant()) -1.) <= LINALG_MYEPSILON);
 
   // inverse is rotation matrix with negative angles

src/LinearAlgebra/unittests/PlaneUnitTest.cpp

@@ -23 +23 @@
 
 #include <cmath>
-
+#include <limits>
+
+#include "LinearAlgebra/defs.hpp"
+#include "LinearAlgebra/Line.hpp"
 #include "LinearAlgebra/Vector.hpp"
-#include "LinearAlgebra/Line.hpp"
 
 #include "PlaneUnitTest.hpp"
@@ -158 +160 @@
   {
     Vector t = (1./3.)*(unitVec[0]+unitVec[1]+unitVec[2]);
-    CPPUNIT_ASSERT(fabs(p1->distance(zeroVec)-t.Norm()) < MYEPSILON);
+    CPPUNIT_ASSERT(fabs(p1->distance(zeroVec)-t.Norm()) <= LINALG_MYEPSILON);
     CPPUNIT_ASSERT_EQUAL(t,p1->getClosestPoint(zeroVec));
   }
 
-  CPPUNIT_ASSERT(fabs(p2->distance(unitVec[2])-1) < MYEPSILON);
+  CPPUNIT_ASSERT(fabs(p2->distance(unitVec[2])-1) <= LINALG_MYEPSILON);
   CPPUNIT_ASSERT_EQUAL(zeroVec,p2->getClosestPoint(unitVec[2]));
-  CPPUNIT_ASSERT(fabs(p3->distance(unitVec[1])-1) < MYEPSILON);
+  CPPUNIT_ASSERT(fabs(p3->distance(unitVec[1])-1) <= LINALG_MYEPSILON);
   CPPUNIT_ASSERT_EQUAL(zeroVec,p3->getClosestPoint(unitVec[1]));
-  CPPUNIT_ASSERT(fabs(p4->distance(unitVec[0])-1) < MYEPSILON);
+  CPPUNIT_ASSERT(fabs(p4->distance(unitVec[0])-1) <= LINALG_MYEPSILON);
   CPPUNIT_ASSERT_EQUAL(zeroVec,p4->getClosestPoint(unitVec[0]));
 }

src/LinearAlgebra/unittests/VectorUnitTest.cpp

@@ -24 +24 @@
 #include <cppunit/ui/text/TestRunner.h>
 
+#include <limits>
+
+#include "CodePatterns/Log.hpp"
+#include "Exceptions/LinearDependenceException.hpp"
 #include "Helpers/defs.hpp"
-#include "CodePatterns/Log.hpp"
+#include "LinearAlgebra/defs.hpp"
+#include "LinearAlgebra/Plane.hpp"
+#include "LinearAlgebra/RealSpaceMatrix.hpp"
 #include "LinearAlgebra/Vector.hpp"
 #include "LinearAlgebra/vector_ops.hpp"
-#include "LinearAlgebra/Plane.hpp"
-#include "Exceptions/LinearDependenceException.hpp"
-#include "LinearAlgebra/RealSpaceMatrix.hpp"
 
 #include "VectorUnitTest.hpp"
@@ -230 +233 @@
   CPPUNIT_ASSERT_EQUAL( M_PI, zero.Angle(unit) );
   CPPUNIT_ASSERT_EQUAL( 0., unit.Angle(unit) );
-  CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - otherunit.Angle(unit)) < MYEPSILON );
-  CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - unit.Angle(notunit)) < MYEPSILON );
-  CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/4. - otherunit.Angle(notunit)) < MYEPSILON );
+  CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - otherunit.Angle(unit)) <= LINALG_MYEPSILON );
+  CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/2. - unit.Angle(notunit)) <= LINALG_MYEPSILON );
+  CPPUNIT_ASSERT_EQUAL( true, fabs(M_PI/4. - otherunit.Angle(notunit)) <= LINALG_MYEPSILON );
 };
 
@@ -255 +258 @@
   // first one-component system
   CPPUNIT_ASSERT(testVector.GetOneNormalVector(unit));
-  CPPUNIT_ASSERT(testVector.ScalarProduct(unit) < MYEPSILON);
+  CPPUNIT_ASSERT(testVector.ScalarProduct(unit) <= LINALG_MYEPSILON);
 
   // second one-component system
   CPPUNIT_ASSERT(testVector.GetOneNormalVector(otherunit));
-  CPPUNIT_ASSERT(testVector.ScalarProduct(otherunit) < MYEPSILON);
+  CPPUNIT_ASSERT(testVector.ScalarProduct(otherunit) <= LINALG_MYEPSILON);
 
   // first two-component system
   CPPUNIT_ASSERT(testVector.GetOneNormalVector(notunit));
-  CPPUNIT_ASSERT(testVector.ScalarProduct(notunit) < MYEPSILON);
+  CPPUNIT_ASSERT(testVector.ScalarProduct(notunit) <= LINALG_MYEPSILON);
 
   // second two-component system
   CPPUNIT_ASSERT(testVector.GetOneNormalVector(two));
-  CPPUNIT_ASSERT(testVector.ScalarProduct(two) < MYEPSILON);
+  CPPUNIT_ASSERT(testVector.ScalarProduct(two) <= LINALG_MYEPSILON);
 
   // three component system
   CPPUNIT_ASSERT(testVector.GetOneNormalVector(three));
-  CPPUNIT_ASSERT(testVector.ScalarProduct(three) < MYEPSILON);
-}
+  CPPUNIT_ASSERT(testVector.ScalarProduct(three) <= LINALG_MYEPSILON);
+}