Changeset 0d4424 for src/unittests/MatrixContentSymmetricUnittest.cpp

Timestamp:

Dec 4, 2010, 11:54:32 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:

c134d9

Parents:

cca9ef

git-author:

Frederik Heber <heber@…> (11/15/10 14:02:38)

git-committer:

Frederik Heber <heber@…> (12/04/10 23:54:32)

Message:

Made gslmatrix obsolete.

• Transfered property and swap...() functions from GSLMatrix to MatrixContent.
• Line::getIntersection() uses now MatrixContent.
• made unit tests for gslmatrix into unit test for MatrixContent.

File:

• src/unittests/MatrixContentSymmetricUnittest.cpp (moved) (moved from src/unittests/gslmatrixsymmetricunittest.cpp ) (21 diffs)

src/unittests/MatrixContentSymmetricUnittest.cpp

@@ -7 +7 @@
 
 /*
- * gslmatrixunittest.cpp
+ * MatrixContentSymmetricUnittest.cpp
  *
  *  Created on: Jan 8, 2010
@@ -24 +24 @@
 #include <cppunit/ui/text/TestRunner.h>
 
-#include "gslmatrixsymmetricunittest.hpp"
+#include "MatrixContentSymmetricUnittest.hpp"
+
+#include "LinearAlgebra/MatrixContent.hpp"
 
 #ifdef HAVE_TESTRUNNER
@@ -33 +35 @@
 
 // Registers the fixture into the 'registry'
-CPPUNIT_TEST_SUITE_REGISTRATION( GSLMatrixSymmetricTest );
-
-
-void GSLMatrixSymmetricTest::setUp()
-{
-  m = new GSLMatrix(3,3);
-};
-
-void GSLMatrixSymmetricTest::tearDown()
+CPPUNIT_TEST_SUITE_REGISTRATION( MatrixContentSymmetricTest );
+
+
+void MatrixContentSymmetricTest::setUp()
+{
+  m = new MatrixContent(3,3);
+};
+
+void MatrixContentSymmetricTest::tearDown()
 {
   delete(m);
@@ -49 +51 @@
  *
  */
-void GSLMatrixSymmetricTest::AccessTest()
+void MatrixContentSymmetricTest::AccessTest()
 {
   // check whether all elements are initially zero
   for (int i=0;i<3;i++)
     for (int j=0;j<3;j++)
-      CPPUNIT_ASSERT_EQUAL( 0., m->Get(i,j) );
+      CPPUNIT_ASSERT_EQUAL( 0., m->at(i,j) );
 
   // set
   for (int i=0;i<3;i++)
     for (int j=0;j<3;j++)
-      m->Set(i,j, i*3+j );
+      m->set(i,j, i*3+j );
 
   // and check
@@ -65 +67 @@
   for (int i=0;i<3;i++)
     for (int j=0;j<3;j++) {
-      CPPUNIT_ASSERT_EQUAL( (double)(i*3+j), m->Get(i,j) );
+      CPPUNIT_ASSERT_EQUAL( (double)(i*3+j), m->at(i,j) );
       ptr = m->Pointer(i,j);
       CPPUNIT_ASSERT_EQUAL( (double)(i*3+j), *ptr );
@@ -73 +75 @@
   for (int i=0;i<3;i++)
     for (int j=0;j<3;j++)
-      m->Set(i,j, i*3+j );
-  GSLMatrix *dest = new GSLMatrix(3,3);
+      m->set(i,j, i*3+j );
+  MatrixContent *dest = new MatrixContent(3,3);
   *dest = *m;
   for (int i=0;i<3;i++)
     for (int j=0;j<3;j++)
-      CPPUNIT_ASSERT_EQUAL( dest->Get(i,j), m->Get(i,j) );
+      CPPUNIT_ASSERT_EQUAL( dest->at(i,j), m->at(i,j) );
   delete(dest);
 
   // out of bounds
-  //CPPUNIT_ASSERT_EQUAL(0., v->Get(4,2) );
-  //CPPUNIT_ASSERT_EQUAL(0., v->Get(2,17) );
-  //CPPUNIT_ASSERT_EQUAL(0., v->Get(1024,140040) );
-  //CPPUNIT_ASSERT_EQUAL(0., v->Get(-1,0) );
-  //CPPUNIT_ASSERT_EQUAL(0., v->Get(0,-1) );
-  //CPPUNIT_ASSERT_EQUAL(0., v->Get(-1,-1) );
+  //CPPUNIT_ASSERT_EQUAL(0., v->at(4,2) );
+  //CPPUNIT_ASSERT_EQUAL(0., v->at(2,17) );
+  //CPPUNIT_ASSERT_EQUAL(0., v->at(1024,140040) );
+  //CPPUNIT_ASSERT_EQUAL(0., v->at(-1,0) );
+  //CPPUNIT_ASSERT_EQUAL(0., v->at(0,-1) );
+  //CPPUNIT_ASSERT_EQUAL(0., v->at(-1,-1) );
 };
 
@@ -93 +95 @@
  *
  */
-void GSLMatrixSymmetricTest::InitializationTest()
+void MatrixContentSymmetricTest::InitializationTest()
 {
   // set zero
-  m->SetZero();
-  for (int i=0;i<3;i++)
-    for (int j=0;j<3;j++)
-      CPPUNIT_ASSERT_EQUAL( 0., m->Get(i,j) );
+  m->setZero();
+  for (int i=0;i<3;i++)
+    for (int j=0;j<3;j++)
+      CPPUNIT_ASSERT_EQUAL( 0., m->at(i,j) );
 
   // set all
-  m->SetAll(1.5);
-  for (int i=0;i<3;i++)
-    for (int j=0;j<3;j++)
-      CPPUNIT_ASSERT_EQUAL( 1.5, m->Get(i,j) );
+  m->setValue(1.5);
+  for (int i=0;i<3;i++)
+    for (int j=0;j<3;j++)
+      CPPUNIT_ASSERT_EQUAL( 1.5, m->at(i,j) );
 
   // set basis
-  m->SetIdentity();
-  for (int i=0;i<3;i++)
-    for (int j=0;j<3;j++)
-      CPPUNIT_ASSERT_EQUAL( i == j ? 1. : 0. , m->Get(i,j) );
+  m->setIdentity();
+  for (int i=0;i<3;i++)
+    for (int j=0;j<3;j++)
+      CPPUNIT_ASSERT_EQUAL( i == j ? 1. : 0. , m->at(i,j) );
 
   // set from array
@@ -117 +119 @@
                      0., 1., 0.,
                      0., 0., 1. };
-  m->SetFromDoubleArray(array);
-  for (int i=0;i<3;i++)
-    for (int j=0;j<3;j++)
-      CPPUNIT_ASSERT_EQUAL( i == j ? 1. : 0. , m->Get(i,j) );
+  m->setFromDoubleArray(array);
+  for (int i=0;i<3;i++)
+    for (int j=0;j<3;j++)
+      CPPUNIT_ASSERT_EQUAL( i == j ? 1. : 0. , m->at(i,j) );
 
 };
@@ -127 +129 @@
  *
  */
-void GSLMatrixSymmetricTest::CopyTest()
+void MatrixContentSymmetricTest::CopyTest()
 {
   // set basis
-  GSLMatrix *dest = NULL;
+  MatrixContent *dest = NULL;
   for (int i=0;i<3;i++) {
-    m->SetAll(i);
-    dest = new GSLMatrix(m);
-    for (int j=0;j<3;j++)
-      CPPUNIT_ASSERT_EQUAL( m->Get(i,j) , dest->Get(i,j) );
+    m->setValue(i);
+    dest = new MatrixContent(m);
+    for (int j=0;j<3;j++)
+      CPPUNIT_ASSERT_EQUAL( m->at(i,j) , dest->at(i,j) );
 
     delete(dest);
@@ -144 +146 @@
  *
  */
-void GSLMatrixSymmetricTest::ExchangeTest()
+void MatrixContentSymmetricTest::ExchangeTest()
 {
   // set to 1,1,1,2, ...
   for (int i=0;i<3;i++)
     for (int j=0;j<3;j++)
-      m->Set(i,j, i+1 );
+      m->set(i,j, i+1 );
 
   // swap such that nothing happens
@@ -155 +157 @@
   for (int i=0;i<3;i++)
     for (int j=0;j<3;j++)
-      CPPUNIT_ASSERT_EQUAL( (double)i+1., m->Get(i,j) );
+      CPPUNIT_ASSERT_EQUAL( (double)i+1., m->at(i,j) );
 
   // swap two rows
@@ -163 +165 @@
       switch (j) {
         case 0:
-          CPPUNIT_ASSERT_EQUAL( 1., m->Get(j,i) );
+          CPPUNIT_ASSERT_EQUAL( 1., m->at(j,i) );
           break;
         case 1:
-          CPPUNIT_ASSERT_EQUAL( 3., m->Get(j,i) );
+          CPPUNIT_ASSERT_EQUAL( 3., m->at(j,i) );
           break;
         case 2:
-          CPPUNIT_ASSERT_EQUAL( 2., m->Get(j,i) );
+          CPPUNIT_ASSERT_EQUAL( 2., m->at(j,i) );
           break;
         default:
-          CPPUNIT_ASSERT_EQUAL( -1., m->Get(i,j) );
+          CPPUNIT_ASSERT_EQUAL( -1., m->at(i,j) );
       }
   // check that op is reversable
@@ -178 +180 @@
   for (int i=0;i<3;i++)
     for (int j=0;j<3;j++)
-      CPPUNIT_ASSERT_EQUAL( (double)i+1., m->Get(i,j) );
+      CPPUNIT_ASSERT_EQUAL( (double)i+1., m->at(i,j) );
 
   // set to 1,2,3,1, ...
   for (int i=0;i<3;i++)
     for (int j=0;j<3;j++)
-      m->Set(i,j, j+1. );
+      m->set(i,j, j+1. );
 
   // swap such that nothing happens
@@ -189 +191 @@
   for (int i=0;i<3;i++)
     for (int j=0;j<3;j++)
-      CPPUNIT_ASSERT_EQUAL( (double)j+1., m->Get(i,j) );
+      CPPUNIT_ASSERT_EQUAL( (double)j+1., m->at(i,j) );
 
   // swap two columns
@@ -197 +199 @@
       switch (j) {
         case 0:
-          CPPUNIT_ASSERT_EQUAL( 3., m->Get(i,j) );
+          CPPUNIT_ASSERT_EQUAL( 3., m->at(i,j) );
           break;
         case 1:
-          CPPUNIT_ASSERT_EQUAL( 2., m->Get(i,j) );
+          CPPUNIT_ASSERT_EQUAL( 2., m->at(i,j) );
           break;
         case 2:
-          CPPUNIT_ASSERT_EQUAL( 1., m->Get(i,j) );
+          CPPUNIT_ASSERT_EQUAL( 1., m->at(i,j) );
           break;
         default:
-          CPPUNIT_ASSERT_EQUAL( -1., m->Get(i,j) );
+          CPPUNIT_ASSERT_EQUAL( -1., m->at(i,j) );
       }
   // check that op is reversable
@@ -212 +214 @@
   for (int i=0;i<3;i++)
     for (int j=0;j<3;j++)
-      CPPUNIT_ASSERT_EQUAL( (double)j+1., m->Get(i,j) );
-
-
-  // set to 1,2,3,4, ...
-  for (int i=0;i<3;i++)
-    for (int j=0;j<3;j++)
-      m->Set(i,j, 3*i+j+1 );
+      CPPUNIT_ASSERT_EQUAL( (double)j+1., m->at(i,j) );
+
+
+  // set to 1,2,3, ...
+  MatrixContent *n =  new MatrixContent(3,3);
+  for (int i=0;i<3;i++)
+    for (int j=0;j<3;j++) {
+      m->set(i,j, 3*i+j+1 );
+      n->set(i,j, 3*j+i+1 );
+    }
   // transpose
-  m->Transpose();
-  for (int i=0;i<3;i++)
-    for (int j=0;j<3;j++)
-      CPPUNIT_ASSERT_EQUAL( (double)(3*i+j+1), m->Get(j,i) );
+  MatrixContent res = ((const MatrixContent)*m).transpose();
+  CPPUNIT_ASSERT( *n == res );
   // second transpose
-  m->Transpose();
-  for (int i=0;i<3;i++)
-    for (int j=0;j<3;j++)
-      CPPUNIT_ASSERT_EQUAL( (double)(3*i+j+1), m->Get(i,j) );
+  res.transpose();
+  CPPUNIT_ASSERT( *m == res );
 };
 
@@ -234 +235 @@
  *
  */
-void GSLMatrixSymmetricTest::PropertiesTest()
+void MatrixContentSymmetricTest::PropertiesTest()
 {
   // is zero
-  m->SetZero();
+  m->setZero();
   CPPUNIT_ASSERT_EQUAL( true, m->IsNull() );
   CPPUNIT_ASSERT_EQUAL( false, m->IsPositive() );
@@ -244 +245 @@
 
   // is positive
-  m->SetAll(0.5);
+  m->setValue(0.5);
   CPPUNIT_ASSERT_EQUAL( false, m->IsNull() );
   CPPUNIT_ASSERT_EQUAL( true, m->IsPositive() );
@@ -251 +252 @@
 
   // is negative
-  m->SetAll(-0.1);
+  m->setValue(-0.1);
   CPPUNIT_ASSERT_EQUAL( false, m->IsNull() );
   CPPUNIT_ASSERT_EQUAL( false, m->IsPositive() );
@@ -261 +262 @@
                      0., 1., 1.,
                      0., 0., 1. };
-  m->SetFromDoubleArray(array);
+  m->setFromDoubleArray(array);
   CPPUNIT_ASSERT_EQUAL( true, m->IsPositiveDefinite() );
 
   //determinant
-  m->SetIdentity();
+  m->setIdentity();
   CPPUNIT_ASSERT_EQUAL( 1., m->Determinant() );
 
-  m->SetZero();
+  m->setZero();
   CPPUNIT_ASSERT_EQUAL( 0., m->Determinant() );
 
-  m->Set( 0, 0, 1.);
-  m->Set( 1, 1, 1.);
-  m->Set( 2, 1, 1.);
+  m->set( 0, 0, 1.);
+  m->set( 1, 1, 1.);
+  m->set( 2, 1, 1.);
   CPPUNIT_ASSERT_EQUAL( 0., m->Determinant() );
   
@@ -279 +280 @@
                      -3., 1., 1.,
                      1., 5.5, 1. };
-  m->SetFromDoubleArray(array2);
+  m->setFromDoubleArray(array2);
   CPPUNIT_ASSERT_EQUAL( -26.5, m->Determinant() );
 };