Changeset 783e88
- Timestamp:
- Apr 6, 2011, 1:50:41 PM (14 years ago)
- 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:
- 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)
- Location:
- src
- Files:
-
- 5 deleted
- 12 edited
Legend:
- Unmodified
- Added
- Removed
-
src/BoundaryTriangleSet.cpp
r8b9c43 r783e88 34 34 #include "CodePatterns/Log.hpp" 35 35 #include "CodePatterns/Verbose.hpp" 36 #include "LinearAlgebra/Exceptions.hpp" 36 37 #include "LinearAlgebra/Line.hpp" 37 38 #include "LinearAlgebra/Plane.hpp" … … 186 187 return true; 187 188 } 188 catch ( MathException &excp) {189 Log() << Verbose(1) << excp;189 catch (LinearAlgebraException &excp) { 190 Log() << Verbose(1) << boost::diagnostic_information(excp); 190 191 DoeLog(1) && (eLog() << Verbose(1) << "Alas! Intersection with plane failed - at least numerically - the intersection is not on the plane!" << endl); 191 192 return false; … … 218 219 ClosestPoint = Plane(NormalVector, (endpoints[0]->node->getPosition())).GetIntersection(l); 219 220 } 220 catch ( MathException &excp) {221 catch (LinearAlgebraException &excp) { 221 222 (ClosestPoint) = (x); 222 223 } -
src/Exceptions/Makefile.am
r8b9c43 r783e88 10 10 CustomException.cpp \ 11 11 IllegalTypeException.cpp \ 12 LinearDependenceException.cpp \13 MathException.cpp \14 12 MissingValueException.cpp \ 15 13 NotOnSurfaceException.cpp \ … … 21 19 CustomException.hpp \ 22 20 IllegalTypeException.hpp \ 23 LinearDependenceException.hpp \24 MathException.hpp \25 21 MissingValueException.hpp \ 26 22 NotOnSurfaceException.hpp \ -
src/LinearAlgebra/Exceptions.hpp
r8b9c43 r783e88 36 36 typedef boost::error_info<struct tag_LinearAlgebraVector, const Vector* const> LinearAlgebraVector; 37 37 38 /** Exception information for LinearAlgebraException: vector. 39 */ 40 typedef boost::error_info< 41 struct tag_LinearAlgebraVectorPair, 42 const std::pair<const Vector* const, const Vector* const> > LinearAlgebraVectorPair; 43 38 44 /** ============================ Specific exceptions ====================== */ 45 46 /** Exception thrown when two vectors are parallel, i.e. linear dependent. 47 */ 48 struct LinearDependenceException : virtual LinearAlgebraException { }; 49 50 /** Exception thrown when are matrix is not invertiable, i.e. its determinant is NULL. 51 */ 52 struct MultipleSolutionsException : virtual LinearAlgebraException { }; 53 54 /** Exception thrown when are matrix is not invertiable, i.e. its determinant is NULL. 55 */ 56 struct NotInvertibleException : virtual LinearAlgebraException { }; 39 57 40 58 /** Exception thrown when two lines are skew, i.e. do not intersect. 41 59 */ 42 60 struct SkewException : virtual LinearAlgebraException { }; 43 44 /** Exception thrown when are matrix is not invertiable, i.e. its determinant is NULL.45 */46 struct NotInvertibleException : virtual LinearAlgebraException { };47 61 48 62 /** Exception thrown when a vector with only zero components is invalidly encountered. -
src/LinearAlgebra/Line.cpp
r8b9c43 r783e88 29 29 #include "CodePatterns/Log.hpp" 30 30 #include "CodePatterns/Verbose.hpp" 31 #include "Exceptions/LinearDependenceException.hpp"32 #include "Exceptions.hpp"33 31 #include "LinearAlgebra/defs.hpp" 32 #include "LinearAlgebra/Exceptions.hpp" 34 33 #include "LinearAlgebra/MatrixContent.hpp" 35 34 #include "LinearAlgebra/Plane.hpp" … … 151 150 res.Zero(); 152 151 Log() << Verbose(1) << "At least one of the lines is ill-defined, i.e. offset equals second vector." << endl; 153 throw LinearDependenceException( __FILE__,__LINE__);152 throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&a, &b) ); 154 153 } 155 154 … … 175 174 Log() << Verbose(1) << "Lines are parallel." << endl; 176 175 res.Zero(); 177 throw LinearDependenceException( __FILE__,__LINE__);176 throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&a, &b) ); 178 177 } 179 178 … … 304 303 Line makeLineThrough(const Vector &x1, const Vector &x2){ 305 304 if(x1==x2){ 306 throw LinearDependenceException( __FILE__,__LINE__);305 throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&x1, &x2) ); 307 306 } 308 307 return Line(x1,x1-x2); -
src/LinearAlgebra/Plane.cpp
r8b9c43 r783e88 27 27 #include "CodePatterns/Log.hpp" 28 28 #include "CodePatterns/Verbose.hpp" 29 #include "Exceptions/MultipleSolutionsException.hpp"30 29 #include "LinearAlgebra/defs.hpp" 31 30 #include "LinearAlgebra/Exceptions.hpp" … … 41 40 normalVector(new Vector()) 42 41 { 43 Vector x1 = y1 -y2; 44 Vector x2 = y3 -y2; 45 if ((fabs(x1.Norm()) <= LINALG_MYEPSILON()) || (fabs(x2.Norm()) <= LINALG_MYEPSILON()) || (fabs(x1.Angle(x2)) <= LINALG_MYEPSILON())) { 46 throw LinearDependenceException(__FILE__,__LINE__); 42 Vector x1 = y1 - y2; 43 Vector x2 = y3 - y2; 44 if ((x1.Norm() <= LINALG_MYEPSILON())) { 45 throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&y1, &y2) ); 46 } 47 if ((x2.Norm() <= LINALG_MYEPSILON())) { 48 throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&y2, &y3) ); 49 } 50 if((fabs(x1.Angle(x2)) <= LINALG_MYEPSILON())) { 51 throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&x1, &x2) ); 47 52 } 48 53 // Log() << Verbose(4) << "relative, first plane coordinates:"; … … 69 74 Vector x1 = y1; 70 75 Vector x2 = y2; 71 if (( fabs(x1.Norm()) <= LINALG_MYEPSILON())) {76 if ((x1.Norm() <= LINALG_MYEPSILON())) { 72 77 throw ZeroVectorException() << LinearAlgebraVector(&x1); 73 78 } 74 if (( fabs(x2.Norm()) <= LINALG_MYEPSILON())) {79 if ((x2.Norm() <= LINALG_MYEPSILON())) { 75 80 throw ZeroVectorException() << LinearAlgebraVector(&x2); 76 81 } 77 82 if((fabs(x1.Angle(x2)) <= LINALG_MYEPSILON())) { 78 throw LinearDependenceException( __FILE__,__LINE__);83 throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&x1, &x2) ); 79 84 } 80 85 // Log() << Verbose(4) << "relative, first plane coordinates:"; … … 181 186 Vector res; 182 187 183 double factor1 = getNormal().ScalarProduct(line.getDirection()); 188 res = getNormal(); 189 const Vector direction = line.getDirection(); 190 double factor1 = res.ScalarProduct(direction); 184 191 if(fabs(factor1) <= LINALG_MYEPSILON()){ 185 192 // the plane is parallel... under all circumstances this is bad luck 186 193 // we no have either no or infinite solutions 187 194 if(isContained(line.getOrigin())){ 188 throw MultipleSolutionsException<Vector>(__FILE__,__LINE__,line.getOrigin()); 195 const Vector origin = line.getOrigin(); 196 throw MultipleSolutionsException() << LinearAlgebraVector(&origin); 189 197 } 190 198 else{ 191 throw LinearDependenceException( __FILE__,__LINE__);199 throw LinearDependenceException() << LinearAlgebraVectorPair( make_pair(&res, &direction) ); 192 200 } 193 201 } -
src/LinearAlgebra/Plane.hpp
r8b9c43 r783e88 21 21 #include "LinearAlgebra/Exceptions.hpp" 22 22 #include "LinearAlgebra/Space.hpp" 23 #include "Exceptions/LinearDependenceException.hpp"24 23 25 24 class Vector; -
src/LinearAlgebra/Vector.cpp
r8b9c43 r783e88 21 21 #include "CodePatterns/Assert.hpp" 22 22 #include "CodePatterns/Verbose.hpp" 23 #include "Exceptions/MathException.hpp"24 23 #include "LinearAlgebra/defs.hpp" 25 24 #include "LinearAlgebra/fast_functions.hpp" -
src/LinearAlgebra/unittests/LineUnitTest.cpp
r8b9c43 r783e88 21 21 #include "LinearAlgebra/Exceptions.hpp" 22 22 #include "LinearAlgebra/Vector.hpp" 23 #include "Exceptions/LinearDependenceException.hpp"24 23 25 24 #include <cppunit/CompilerOutputter.h> -
src/LinearAlgebra/unittests/VectorUnitTest.cpp
r8b9c43 r783e88 27 27 28 28 #include "CodePatterns/Log.hpp" 29 #include "Exceptions/LinearDependenceException.hpp"30 29 #include "LinearAlgebra/defs.hpp" 31 30 #include "LinearAlgebra/Plane.hpp" -
src/LinearAlgebra/vector_ops.cpp
r8b9c43 r783e88 20 20 #include "CodePatterns/MemDebug.hpp" 21 21 22 #include "Exceptions/LinearDependenceException.hpp"23 22 #include "CodePatterns/Info.hpp" 24 23 #include "CodePatterns/Log.hpp" -
src/molecule.cpp
r8b9c43 r783e88 33 33 #include "config.hpp" 34 34 #include "element.hpp" 35 #include "Exceptions/LinearDependenceException.hpp"36 35 #include "graph.hpp" 37 36 #include "Graph/BondGraph.hpp" 37 #include "LinearAlgebra/Exceptions.hpp" 38 38 #include "LinearAlgebra/leastsquaremin.hpp" 39 39 #include "LinearAlgebra/Plane.hpp" … … 431 431 // determine the plane of these two with the *origin 432 432 try { 433 Orthovector1 = Plane(TopOrigin->getPosition(), FirstOtherAtom->getPosition(), SecondOtherAtom->getPosition()).getNormal();433 Orthovector1 = Plane(TopOrigin->getPosition(), FirstOtherAtom->getPosition(), SecondOtherAtom->getPosition()).getNormal(); 434 434 } 435 435 catch(LinearDependenceException &excp){ 436 Log() << Verbose(0) << excp;436 Log() << Verbose(0) << boost::diagnostic_information(excp); 437 437 // TODO: figure out what to do with the Orthovector in this case 438 438 AllWentWell = false; … … 528 528 } 529 529 catch(LinearDependenceException &excp) { 530 Log() << Verbose(0) << excp;530 Log() << Verbose(0) << boost::diagnostic_information(excp); 531 531 AllWentWell = false; 532 532 } -
src/tesselation.cpp
r8b9c43 r783e88 33 33 #include "CodePatterns/Log.hpp" 34 34 #include "CodePatterns/Verbose.hpp" 35 #include "Exceptions/LinearDependenceException.hpp"36 35 #include "Helpers/helpers.hpp" 37 36 #include "IPointCloud.hpp" 37 #include "LinearAlgebra/Exceptions.hpp" 38 #include "LinearAlgebra/Line.hpp" 39 #include "LinearAlgebra/Plane.hpp" 38 40 #include "LinearAlgebra/Vector.hpp" 39 #include "LinearAlgebra/Line.hpp"40 41 #include "LinearAlgebra/vector_ops.hpp" 41 #include "LinearAlgebra/Plane.hpp"42 42 #include "linkedcell.hpp" 43 43 #include "PointCloudAdaptor.hpp" … … 2127 2127 } 2128 2128 catch (LinearDependenceException &excp){ 2129 Log() << Verbose(1) << excp;2129 Log() << Verbose(1) << boost::diagnostic_information(excp); 2130 2130 Log() << Verbose(1) << "REJECT: Three points from " << *CandidateLine.BaseLine << " and Candidate " << *Candidate << " are linear-dependent." << endl; 2131 2131 }
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