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 5ddb8a was             5f612ee, checked in by Frederik Heber <heber@…>, 16 years ago           | 
        
        
          | 
             
Merge branch 'Analysis_PairCorrelation' into StructureRefactoring 
 
Conflicts: 
 
molecuilder/src/Makefile.am 
molecuilder/src/World.cpp 
molecuilder/src/World.hpp 
molecuilder/src/boundary.cpp 
molecuilder/src/builder.cpp 
molecuilder/src/log.cpp 
molecuilder/src/moleculelist.cpp 
molecuilder/src/periodentafel.cpp 
molecuilder/src/tesselation.cpp 
molecuilder/src/unittests/AnalysisCorrelationToSurfaceUnitTest.cpp 
molecuilder/src/unittests/Makefile.am 
molecuilder/src/unittests/bondgraphunittest.cpp 
molecuilder/src/unittests/gslvectorunittest.cpp 
molecuilder/src/unittests/logunittest.cpp 
molecuilder/src/unittests/tesselation_boundarytriangleunittest.hpp 
molecuilder/src/vector.cpp 
molecuilder/tests/Tesselations/defs.in 
 
 
Conflicts have been many and too numerous to listen here, just the few general cases 
 
- new molecule() replaced by World::getInstance().createMolecule()
 - new atom() replaced by World::getInstance().createAtom() where appropriate.
 - Some DoLog()s added interfered with changes to the message produced by Log() << Verbose(.) << ...
 - DoLog() has been erroneously added to TestRunner.cpp as well, there cout is appropriate
 - ...
 
 
Additionally, there was a bug in atom::clone(), sort was set to atom::nr of the atom to clone not of the clone itself. This caused a failure of the fragmentation. 
 
This merge has been fully checked from a clean build directory with subsequent configure,make all install and make check. 
It configures, compiles and runs all test cases and the test suite without errors. 
 
Signed-off-by: Frederik Heber <heber@…> 
 
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100644
               
             
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          | 
            File size:
            2.0 KB
           | 
        
      
      
| Rev | Line |   | 
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| [29812d] | 1 | /*
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 | 2 |  * memoryallocatorunittest.cpp
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 | 3 |  */
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 | 4 | 
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 | 5 | 
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 | 6 | using namespace std;
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 | 7 | 
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 | 8 | #include <cppunit/CompilerOutputter.h>
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 | 9 | #include <cppunit/extensions/TestFactoryRegistry.h>
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 | 10 | #include <cppunit/ui/text/TestRunner.h>
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 | 11 | 
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 | 12 | #include "memoryallocator.hpp"
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 | 13 | #include "memoryallocatorunittest.hpp"
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 | 14 | #include "helpers.hpp"
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| [e6fdbe] | 15 | #include "log.hpp"
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| [29812d] | 16 | #include "defs.hpp"
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 | 17 | 
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| [9b6b2f] | 18 | #ifdef HAVE_TESTRUNNER
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 | 19 | #include "UnitTestMain.hpp"
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 | 20 | #endif /*HAVE_TESTRUNNER*/
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 | 21 | 
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| [29812d] | 22 | /********************************************** Test classes **************************************/
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 | 23 | 
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 | 24 | // Registers the fixture into the 'registry'
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 | 25 | CPPUNIT_TEST_SUITE_REGISTRATION( MemoryAllocatorTest );
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 | 26 | 
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 | 27 | 
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 | 28 | void MemoryAllocatorTest::setUp()
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 | 29 | {
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 | 30 | };
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 | 31 | 
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 | 32 | 
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 | 33 | void MemoryAllocatorTest::tearDown()
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 | 34 | {
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| [7218f8] | 35 |   MemoryUsageObserver::getInstance()->purgeInstance();
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| [e6fdbe] | 36 |   logger::purgeInstance();
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| [29812d] | 37 | };
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 | 38 | 
 | 
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 | 39 | /**
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 | 40 |  * UnitTest for Malloc()
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 | 41 |  */
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 | 42 | void MemoryAllocatorTest::MallocTest()
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 | 43 | {
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 | 44 |   int* buffer1 = NULL;
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 | 45 |   buffer1 = Malloc<int>(1, "");
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 | 46 |   Free(&buffer1);
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 | 47 | 
 | 
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 | 48 |   long* buffer2 = NULL;
 | 
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 | 49 |   buffer2 = Malloc<long>(1, "");
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 | 50 |   Free(&buffer2);
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 | 51 | 
 | 
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 | 52 |   char* buffer3 = NULL;
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 | 53 |   buffer3 = Malloc<char>(4, "");
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| [a67d19] | 54 |   DoLog(0) && (Log() << Verbose(0) << buffer3 << endl);
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| [29812d] | 55 |   Free(&buffer3);
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 | 56 | 
 | 
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 | 57 |   char** buffer4 = NULL;
 | 
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| [7218f8] | 58 |   buffer4 = Malloc<char*>(10, "");
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 | 59 |   for (int i=0;i<10;i++)
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 | 60 |     buffer4[i] = NULL;
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| [29812d] | 61 |   Free(&buffer4);
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 | 62 | };
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 | 63 | 
 | 
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 | 64 | /**
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 | 65 |  * UnitTest for Calloc()
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 | 66 |  */
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 | 67 | void MemoryAllocatorTest::CallocTest()
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 | 68 | {
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 | 69 |   int* buffer1 = NULL;
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| [7218f8] | 70 |   buffer1 = Calloc<int>(10, "");
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| [29812d] | 71 |   Free(&buffer1);
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 | 72 | 
 | 
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 | 73 |   long* buffer2 = NULL;
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| [7218f8] | 74 |   buffer2 = Calloc<long>(10, "");
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| [29812d] | 75 |   Free(&buffer2);
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 | 76 | 
 | 
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| [7218f8] | 77 |   char** buffer3 = NULL;
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 | 78 |   buffer3 = Calloc<char *>(10, "");
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 | 79 |   for (int i=0;i<10;i++)
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 | 80 |     buffer3[i] = NULL;
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| [29812d] | 81 |   Free(&buffer3);
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 | 82 | };
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 | 83 | 
 | 
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 | 84 | /**
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 | 85 |  * UnitTest for ReAlloc()
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 | 86 |  */
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 | 87 | void MemoryAllocatorTest::ReAllocTest()
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 | 88 | {
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 | 89 |   int* buffer1 = NULL;
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 | 90 |   buffer1 = Malloc<int>(1, "");
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 | 91 |   buffer1 = ReAlloc<int>(buffer1, 2, "");
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 | 92 |   Free(&buffer1);
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 | 93 | 
 | 
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 | 94 |   int* buffer2 = NULL;
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 | 95 |   buffer2 = ReAlloc<int>(buffer2, 2, "");
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 | 96 |   Free(&buffer2);
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 | 97 | };
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 | 98 | 
 | 
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 | 99 | /**
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 | 100 |  * UnitTest for Free()
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 | 101 |  */
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 | 102 | void MemoryAllocatorTest::FreeTest()
 | 
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 | 103 | {
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 | 104 |   char** buffer1 = NULL;
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 | 105 |   Free(buffer1);
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 | 106 | 
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 | 107 |   int** buffer2 = NULL;
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 | 108 |   Free(buffer2);
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 | 109 | };
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