Changeset 783e88 for src/LinearAlgebra

Timestamp:

Apr 6, 2011, 1:50:41 PM (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:

00bb38

Parents:

8b9c43

git-author:

Frederik Heber <heber@…> (04/01/11 21:30:33)

git-committer:

Frederik Heber <heber@…> (04/06/11 13:50:41)

Message:

Removed LinearDependenceException, MultipleSolutionsException and MathException from Exceptions.

• the first two are now boost::exception-derived.
• LinearAlgebraException takes the place of MathException where both have to be caught.

Location:

src/LinearAlgebra

Files:

• Exceptions.hpp (modified) (1 diff)
• Line.cpp (modified) (4 diffs)
• Plane.cpp (modified) (4 diffs)
• Plane.hpp (modified) (1 diff)
• Vector.cpp (modified) (1 diff)
• unittests/LineUnitTest.cpp (modified) (1 diff)
• unittests/VectorUnitTest.cpp (modified) (1 diff)
• vector_ops.cpp (modified) (1 diff)

src/LinearAlgebra/Exceptions.hpp

@@ -36 +36 @@
 typedef boost::error_info<struct tag_LinearAlgebraVector, const Vector* const> LinearAlgebraVector;
 
+/** Exception information for LinearAlgebraException: vector.
+ */
+typedef boost::error_info<
+    struct tag_LinearAlgebraVectorPair,
+    const std::pair<const Vector* const, const Vector* const> > LinearAlgebraVectorPair;
+
 /** ============================ Specific exceptions ====================== */
+
+/** Exception thrown when two vectors are parallel, i.e. linear dependent.
+ */
+struct LinearDependenceException : virtual LinearAlgebraException { };
+
+/** Exception thrown when are matrix is not invertiable, i.e. its determinant is NULL.
+ */
+struct MultipleSolutionsException : virtual LinearAlgebraException { };
+
+/** Exception thrown when are matrix is not invertiable, i.e. its determinant is NULL.
+ */
+struct NotInvertibleException : virtual LinearAlgebraException { };
 
 /** Exception thrown when two lines are skew, i.e. do not intersect.
  */
 struct SkewException : virtual LinearAlgebraException { };
-
-/** Exception thrown when are matrix is not invertiable, i.e. its determinant is NULL.
- */
-struct NotInvertibleException : virtual LinearAlgebraException { };
 
 /** Exception thrown when a vector with only zero components is invalidly encountered.

src/LinearAlgebra/Line.cpp

@@ -29 +29 @@
 #include "CodePatterns/Log.hpp"
 #include "CodePatterns/Verbose.hpp"
-#include "Exceptions/LinearDependenceException.hpp"
-#include "Exceptions.hpp"
 #include "LinearAlgebra/defs.hpp"
+#include "LinearAlgebra/Exceptions.hpp"
 #include "LinearAlgebra/MatrixContent.hpp"
 #include "LinearAlgebra/Plane.hpp"
@@ -151 +150 @@
    res.Zero();
    Log() << Verbose(1) << "At least one of the lines is ill-defined, i.e. offset equals second vector." << endl;
-   throw LinearDependenceException(__FILE__,__LINE__);
+   throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&a, &b) );
   }
 
@@ -175 +174 @@
     Log() << Verbose(1) << "Lines are parallel." << endl;
     res.Zero();
-    throw LinearDependenceException(__FILE__,__LINE__);
+    throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&a, &b) );
   }
 
@@ -304 +303 @@
 Line makeLineThrough(const Vector &x1, const Vector &x2){
   if(x1==x2){
-    throw LinearDependenceException(__FILE__,__LINE__);
+    throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&x1, &x2) );
   }
   return Line(x1,x1-x2);

src/LinearAlgebra/Plane.cpp

@@ -27 +27 @@
 #include "CodePatterns/Log.hpp"
 #include "CodePatterns/Verbose.hpp"
-#include "Exceptions/MultipleSolutionsException.hpp"
 #include "LinearAlgebra/defs.hpp"
 #include "LinearAlgebra/Exceptions.hpp"
@@ -41 +40 @@
   normalVector(new Vector())
 {
-  Vector x1 = y1 -y2;
-  Vector x2 = y3 -y2;
-  if ((fabs(x1.Norm()) <= LINALG_MYEPSILON()) || (fabs(x2.Norm()) <= LINALG_MYEPSILON()) || (fabs(x1.Angle(x2)) <= LINALG_MYEPSILON())) {
-    throw LinearDependenceException(__FILE__,__LINE__);
+  Vector x1 = y1 - y2;
+  Vector x2 = y3 - y2;
+  if ((x1.Norm() <= LINALG_MYEPSILON())) {
+    throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&y1, &y2) );
+  }
+  if ((x2.Norm() <= LINALG_MYEPSILON())) {
+    throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&y2, &y3) );
+  }
+  if((fabs(x1.Angle(x2)) <= LINALG_MYEPSILON())) {
+    throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&x1, &x2) );
   }
 //  Log() << Verbose(4) << "relative, first plane coordinates:";
@@ -69 +74 @@
   Vector x1 = y1;
   Vector x2 = y2;
-  if ((fabs(x1.Norm()) <= LINALG_MYEPSILON())) {
+  if ((x1.Norm() <= LINALG_MYEPSILON())) {
     throw ZeroVectorException() << LinearAlgebraVector(&x1);
   }
-  if ((fabs(x2.Norm()) <= LINALG_MYEPSILON())) {
+  if ((x2.Norm() <= LINALG_MYEPSILON())) {
     throw ZeroVectorException() << LinearAlgebraVector(&x2);
   }
   if((fabs(x1.Angle(x2)) <= LINALG_MYEPSILON())) {
-    throw LinearDependenceException(__FILE__,__LINE__);
+    throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&x1, &x2) );
   }
 //  Log() << Verbose(4) << "relative, first plane coordinates:";
@@ -181 +186 @@
   Vector res;
 
-  double factor1 = getNormal().ScalarProduct(line.getDirection());
+  res = getNormal();
+  const Vector direction = line.getDirection();
+  double factor1 = res.ScalarProduct(direction);
   if(fabs(factor1) <= LINALG_MYEPSILON()){
     // the plane is parallel... under all circumstances this is bad luck
     // we no have either no or infinite solutions
     if(isContained(line.getOrigin())){
-      throw MultipleSolutionsException<Vector>(__FILE__,__LINE__,line.getOrigin());
+      const Vector origin = line.getOrigin();
+      throw MultipleSolutionsException() << LinearAlgebraVector(&origin);
     }
     else{
-      throw LinearDependenceException(__FILE__,__LINE__);
+      throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&res,  &direction) );
     }
   }

src/LinearAlgebra/Plane.hpp

@@ -21 +21 @@
 #include "LinearAlgebra/Exceptions.hpp"
 #include "LinearAlgebra/Space.hpp"
-#include "Exceptions/LinearDependenceException.hpp"
 
 class Vector;

src/LinearAlgebra/Vector.cpp

@@ -21 +21 @@
 #include "CodePatterns/Assert.hpp"
 #include "CodePatterns/Verbose.hpp"
-#include "Exceptions/MathException.hpp"
 #include "LinearAlgebra/defs.hpp"
 #include "LinearAlgebra/fast_functions.hpp"

src/LinearAlgebra/unittests/LineUnitTest.cpp

@@ -21 +21 @@
 #include "LinearAlgebra/Exceptions.hpp"
 #include "LinearAlgebra/Vector.hpp"
-#include "Exceptions/LinearDependenceException.hpp"
 
 #include <cppunit/CompilerOutputter.h>

src/LinearAlgebra/unittests/VectorUnitTest.cpp

@@ -27 +27 @@
 
 #include "CodePatterns/Log.hpp"
-#include "Exceptions/LinearDependenceException.hpp"
 #include "LinearAlgebra/defs.hpp"
 #include "LinearAlgebra/Plane.hpp"

src/LinearAlgebra/vector_ops.cpp

@@ -20 +20 @@
 #include "CodePatterns/MemDebug.hpp"
 
-#include "Exceptions/LinearDependenceException.hpp"
 #include "CodePatterns/Info.hpp"
 #include "CodePatterns/Log.hpp"