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
      
      
        
          | 
            Last change
 on this file since 1363de was             56f73b, checked in by Frederik Heber <heber@…>, 15 years ago           | 
        
        
          | 
             
Added config.h also to all header files, code check test ascertain this in the future. 
 
- as we want to use config.h to pass stuff such as MEMDEBUG, NDEBUG,
LOG_OBSERVER, we have to make sure that it is present in each and every
file.
 - split up CodeChecks/testsuite.at: each test has its own .at file.
  
           | 
        
        
          
            
              - 
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 set to                 
100644
               
             
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          | 
            File size:
            1.8 KB
           | 
        
      
      
| Rev | Line |   | 
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| [b4cf2b] | 1 | /*
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| [f844ef] | 2 |  * SubspaceFactorizerUnitTest.hpp
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| [b4cf2b] | 3 |  *
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 | 4 |  *  Created on: Nov 13, 2010
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 | 5 |  *      Author: heber
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 | 6 |  */
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 | 7 | 
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 | 8 | #ifndef SUBSPACEFACTORIZERUNITTEST_HPP_
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 | 9 | #define SUBSPACEFACTORIZERUNITTEST_HPP_
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 | 10 | 
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| [56f73b] | 11 | // include config.h
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 | 12 | #ifdef HAVE_CONFIG_H
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 | 13 | #include <config.h>
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 | 14 | #endif
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 | 15 | 
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 | 16 | 
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| [b4cf2b] | 17 | #include <cppunit/extensions/HelperMacros.h>
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 | 18 | 
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| [9c5296] | 19 | class MatrixContent;
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 | 20 | class VectorContent;
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 | 21 | class Subspace;
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 | 22 | 
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| [e828c0] | 23 | typedef std::set<std::set<size_t> > SetofIndexSets;
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| [40be55] | 24 | typedef std::set<size_t> IndexSet;
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| [9c5296] | 25 | typedef std::multimap< size_t, boost::shared_ptr<Subspace> > SubspaceMap;
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| [40be55] | 26 | typedef std::multimap< size_t, boost::shared_ptr<IndexSet> > IndexMap;
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 | 27 | typedef std::list< boost::shared_ptr<VectorContent> > VectorList;
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| [742371] | 28 | typedef std::list< std::pair<boost::shared_ptr<VectorContent>, double> > VectorValueList;
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| [40be55] | 29 | typedef std::vector< boost::shared_ptr<VectorContent> > VectorArray;
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| [742371] | 30 | typedef std::vector< double > ValueArray;
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| [40be55] | 31 | 
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| [b4cf2b] | 32 | class SubspaceFactorizerUnittest : public CppUnit::TestFixture
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 | 33 | {
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 | 34 |   CPPUNIT_TEST_SUITE( SubspaceFactorizerUnittest) ;
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 | 35 |   CPPUNIT_TEST ( BlockTest );
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| [e828c0] | 36 |   //CPPUNIT_TEST ( EigenvectorTest );
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 | 37 |   CPPUNIT_TEST ( generatePowerSetTest );
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| [9c5296] | 38 |   CPPUNIT_TEST ( SubspaceTest );
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| [b4cf2b] | 39 |   CPPUNIT_TEST_SUITE_END();
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 | 40 | 
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 | 41 | public:
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 | 42 |   void setUp();
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 | 43 |   void tearDown();
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 | 44 | 
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 | 45 |   void BlockTest();
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| [40be55] | 46 |   void EigenvectorTest();
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| [e828c0] | 47 |   void generatePowerSetTest();
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| [9c5296] | 48 |   void SubspaceTest();
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| [b4cf2b] | 49 | 
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| [e828c0] | 50 |   enum { matrixdimension = 4 };
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 | 51 |   enum { subspacelimit = 3 };
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| [f5bca2] | 52 | private:
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 | 53 | 
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 | 54 |   MatrixContent *matrix;
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| [b4cf2b] | 55 | 
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| [40be55] | 56 |   MatrixContent ***transformation;
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| [b4cf2b] | 57 | };
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 | 58 | 
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| [40be55] | 59 | MatrixContent * getSubspaceMatrix(MatrixContent &bigmatrix, const IndexSet &rowindexset, const IndexSet &columnindexset);
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 | 60 | void embedSubspaceMatrix(MatrixContent &bigmatrix, MatrixContent &subsystem, const IndexSet &rowindexset, const IndexSet &columnindexset);
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 | 61 | std::ostream & operator<<(std::ostream &ost, const IndexSet &indexset);
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 | 62 | 
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| [b4cf2b] | 63 | #endif /* SUBSPACEFACTORIZERUNITTEST_HPP_ */
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