Changeset 26108c

Timestamp:

Oct 6, 2011, 7:17:47 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:

dc8827

Parents:

59e063

git-author:

Frederik Heber <heber@…> (04/24/11 22:30:42)

git-committer:

Frederik Heber <heber@…> (10/06/11 07:17:47)

Message:

FIX: Changed ambigious interface for MatrixContent::transpose().

• now, if we transpose in place, the function is transpose() (active voice).
• if we transpose to other MatrixContent, it is transposed() (passive voice).
• this also changed the interface for RealSpaceMatrix::transpose().
• fixes in several unit tests where before we always had to explicitly cast the matrix to const in order to make use of the passive voice form.

Location:

LinearAlgebra/src

Files:

• LinearAlgebra/MatrixContent.cpp (modified) (3 diffs)
• LinearAlgebra/MatrixContent.hpp (modified) (1 diff)
• LinearAlgebra/RealSpaceMatrix.cpp (modified) (1 diff)
• LinearAlgebra/RealSpaceMatrix.hpp (modified) (1 diff)
• unittests/MatrixContentSymmetricUnitTest.cpp (modified) (1 diff)
• unittests/MatrixContentUnitTest.cpp (modified) (1 diff)
• unittests/RealSpaceMatrixUnitTest.cpp (modified) (1 diff)

LinearAlgebra/src/LinearAlgebra/MatrixContent.cpp

@@ -29 +29 @@
 #include <gsl/gsl_vector.h>
 #include <cmath>
-#include <cassert>
 #include <iostream>
 #include <limits>
@@ -487 +486 @@
  * \return new matrix that is transposed of this.
  */
-MatrixContent MatrixContent::transpose() const
+MatrixContent MatrixContent::transposed() const
 {
   gsl_matrix *res = gsl_matrix_alloc(columns, rows);  // column and row dimensions exchanged!
@@ -539 +538 @@
       +toString(V.getRows())+"!="+toString(rows)+".");
   ASSERT(S.getDimension() == columns,
-      "MatrixContent::performSingularValueDecomposition() - Vector S does not haver the right dimension "
+      "MatrixContent::performSingularValueDecomposition() - Vector S does not have the right dimension "
       +toString(S.getDimension())+"!="+toString(columns)+".");
   gsl_matrix *A = content;

LinearAlgebra/src/LinearAlgebra/MatrixContent.hpp

@@ -94 +94 @@
 
   // Transformations
-  MatrixContent transpose() const;
+  MatrixContent transposed() const;
   MatrixContent &transpose();
   gsl_vector* transformToEigenbasis();

LinearAlgebra/src/LinearAlgebra/RealSpaceMatrix.cpp

@@ -267 +267 @@
 }
 
-RealSpaceMatrix RealSpaceMatrix::transpose() const
-{
-  RealSpaceMatrix res = RealSpaceMatrix(const_cast<const MatrixContent *>(content)->transpose());
+RealSpaceMatrix RealSpaceMatrix::transposed() const
+{
+  RealSpaceMatrix res = RealSpaceMatrix(content->transposed());
   return res;
 }

LinearAlgebra/src/LinearAlgebra/RealSpaceMatrix.hpp

@@ -138 +138 @@
    * Calculate the transpose of the matrix.
    */
-  RealSpaceMatrix transpose() const;
+  RealSpaceMatrix transposed() const;
   RealSpaceMatrix &transpose();
 

LinearAlgebra/src/unittests/MatrixContentSymmetricUnitTest.cpp

@@ -225 +225 @@
     }
   // transpose
-  MatrixContent res = ((const MatrixContent)*m).transpose();
+  MatrixContent res = (*m).transposed();
   CPPUNIT_ASSERT( *n == res );
   // second transpose

LinearAlgebra/src/unittests/MatrixContentUnitTest.cpp

@@ -239 +239 @@
     }
   // transpose
-  MatrixContent res = ((const MatrixContent)(*m)).transpose();
+  MatrixContent res = (*m).transposed();
   CPPUNIT_ASSERT( *n == res );
   // second transpose
-  MatrixContent res2 = ((const MatrixContent)res).transpose();
+  MatrixContent res2 = res.transposed();
   CPPUNIT_ASSERT( *m == res2 );
   delete n;

LinearAlgebra/src/unittests/RealSpaceMatrixUnitTest.cpp

@@ -281 +281 @@
   // ... or transposed
   res.setRotation(M_PI/3.,0.,0.);
-  CPPUNIT_ASSERT_EQUAL(inverse, ((const RealSpaceMatrix) res).transpose());
+  CPPUNIT_ASSERT_EQUAL(inverse, res.transposed());
 }