Changeset 8e84fe for src


Ignore:
Timestamp:
Apr 15, 2013, 6:13:22 PM (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, Candidate_v1.7.0, Candidate_v1.7.1, 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:
fbf143
Parents:
410405
git-author:
Frederik Heber <heber@…> (04/10/13 13:21:37)
git-committer:
Frederik Heber <heber@…> (04/15/13 18:13:22)
Message:

Moved ...Data and all related classes into new subfolder Containers.

  • this separates Containers from Controllers and thus splits off dependency on JobMarket.
  • also MPQCData and VMGData are containers related rather to fragmentation and not to the Jobs.
  • modules on Containers who use JobId_t now use size_t in case of missing JobMarket.
  • adapted many includes accordingly.
Location:
src
Files:
2 added
23 edited
23 moved

Legend:

Unmodified
Added
Removed

  • src/Actions/FragmentationAction/FragmentationAutomationAction.cpp

    r410405 r8e84fe  
    5454#include "JobMarket/Jobs/FragmentJob.hpp"
    5555
    56 #include "Fragmentation/Automation/createMatrixNrLookup.hpp"
    57 #include "Fragmentation/Automation/extractJobIds.hpp"
    58 #include "Fragmentation/Automation/FragmentationChargeDensity.hpp"
    5956#include "Fragmentation/Automation/FragmentJobQueue.hpp"
    60 #include "Fragmentation/Automation/FragmentationLongRangeResults.hpp"
    61 #include "Fragmentation/Automation/FragmentationShortRangeResults.hpp"
    6257#include "Fragmentation/Automation/MPQCFragmentController.hpp"
    6358#include "Fragmentation/Automation/VMGDebugGridFragmentController.hpp"
    6459#include "Fragmentation/Automation/VMGFragmentController.hpp"
     60#include "Fragmentation/Containers/createMatrixNrLookup.hpp"
     61#include "Fragmentation/Containers/extractJobIds.hpp"
     62#include "Fragmentation/Containers/FragmentationChargeDensity.hpp"
     63#include "Fragmentation/Containers/FragmentationLongRangeResults.hpp"
     64#include "Fragmentation/Containers/FragmentationShortRangeResults.hpp"
     65#include "Fragmentation/Containers/MPQCData.hpp"
     66#include "Fragmentation/Containers/MPQCData_printKeyNames.hpp"
    6567#include "Fragmentation/EnergyMatrix.hpp"
    6668#include "Fragmentation/ForceMatrix.hpp"
    … …  
    7779#include "Graph/DepthFirstSearchAnalysis.hpp"
    7880#include "Jobs/MPQCJob.hpp"
    79 #include "Jobs/MPQCData.hpp"
    80 #include "Jobs/MPQCData_printKeyNames.hpp"
    8181#ifdef HAVE_VMG
     82#include "Fragmentation/Containers/VMGData.hpp"
     83#include "Fragmentation/Containers/VMGDataFused.hpp"
     84#include "Fragmentation/Containers/VMGDataMap.hpp"
     85#include "Fragmentation/Containers/VMGData_printKeyNames.hpp"
    8286#include "Jobs/VMGDebugGridJob.hpp"
    8387#include "Jobs/VMGJob.hpp"
    84 #include "Jobs/VMGData.hpp"
    85 #include "Jobs/VMGDataFused.hpp"
    86 #include "Jobs/VMGDataMap.hpp"
    87 #include "Jobs/VMGData_printKeyNames.hpp"
    8888#endif
    8989#include "World.hpp"

  • src/Fragmentation/Automation/FragmentJobQueue.cpp

    r410405 r8e84fe  
    4545
    4646#include "Box.hpp"
    47 #include "Fragmentation/Automation/parseKeySetFile.hpp"
     47#include "Fragmentation/Containers/parseKeySetFile.hpp"
    4848#include "Helpers/defs.hpp"
    4949#include "Jobs/MPQCJob.hpp"

  • src/Fragmentation/Automation/FragmentJobQueue.hpp

    r410405 r8e84fe  
    2121
    2222#include "Fragmentation/KeySetsContainer.hpp"
    23 #include "Fragmentation/Automation/parseKeySetFile.hpp"
     23#include "Fragmentation/Containers/parseKeySetFile.hpp"
    2424#include "Jobs/MPQCJob.hpp"
    2525

  • src/Fragmentation/Automation/MPQCFragmentController.hpp

    r410405 r8e84fe  
    2323#include <vector>
    2424
    25 #include "JobMarket/JobId.hpp"
     25#include "JobMarket/types.hpp"
    2626
    27 #include "Jobs/MPQCData.hpp"
     27#include "Fragmentation/Containers/MPQCData.hpp"
    2828
    2929/** This class uses SpecificFragmentController with functions to add specificly

  • src/Fragmentation/Automation/Makefile.am

    r410405 r8e84fe  
    33
    44FRAGMENTATIONAUTOMATIONSOURCE = \
    5         Fragmentation/Automation/createMatrixNrLookup.cpp \
    6         Fragmentation/Automation/FragmentationChargeDensity.cpp \
    7         Fragmentation/Automation/FragmentationLongRangeResults.cpp \
    8         Fragmentation/Automation/FragmentationShortRangeResults.cpp \
    95        Fragmentation/Automation/FragmentJobQueue.cpp \
    106        Fragmentation/Automation/MPQCFragmentController.cpp \
    11         Fragmentation/Automation/parseKeySetFile.cpp \
    127        Fragmentation/Automation/SpecificFragmentController.cpp
    138
    … …  
    1914
    2015FRAGMENTATIONAUTOMATIONHEADER = \
    21         Fragmentation/Automation/createMatrixNrLookup.hpp \
    22         Fragmentation/Automation/extractJobIds.hpp \
    23         Fragmentation/Automation/FragmentationChargeDensity.hpp \
    24         Fragmentation/Automation/FragmentationLongRangeResults.hpp \
    25         Fragmentation/Automation/FragmentationShortRangeResults.hpp \
    2616        Fragmentation/Automation/FragmentJobQueue.hpp \
    2717        Fragmentation/Automation/MPQCFragmentController.hpp \
    28         Fragmentation/Automation/parseKeySetFile.hpp \
    2918        Fragmentation/Automation/SpecificFragmentController.hpp \
    3019        Fragmentation/Automation/SpecificFragmentController_impl.hpp

  • src/Fragmentation/Automation/SpecificFragmentController.hpp

    r410405 r8e84fe  
    1616
    1717#include "JobMarket/Controller/FragmentController.hpp"
    18 #include "JobMarket/JobId.hpp"
     18#include "JobMarket/types.hpp"
    1919#include "JobMarket/Results/FragmentResult.hpp"
    2020

  • src/Fragmentation/Automation/VMGDebugGridFragmentController.hpp

    r410405 r8e84fe  
    2121#include <vector>
    2222
    23 #include "JobMarket/JobId.hpp"
     23#include "JobMarket/types.hpp"
    2424
    2525#include "Fragmentation/SetValues/Fragment.hpp"
    2626#include "Fragmentation/SetValues/SamplingGrid.hpp"
    27 #include "Jobs/MPQCData.hpp"
    28 #include "Jobs/VMGData.hpp"
     27#include "Fragmentation/Containers/MPQCData.hpp"
     28#include "Fragmentation/Containers/VMGData.hpp"
    2929
    3030/** This class uses SpecificFragmentController with functions to add specificly

  • src/Fragmentation/Automation/VMGFragmentController.hpp

    r410405 r8e84fe  
    2020#include <vector>
    2121
    22 #include "JobMarket/JobId.hpp"
     22#include "JobMarket/types.hpp"
    2323
     24#include "Fragmentation/Containers/MPQCData.hpp"
     25#include "Fragmentation/Containers/VMGData.hpp"
    2426#include "Fragmentation/SetValues/Fragment.hpp"
    2527#include "Fragmentation/SetValues/SamplingGrid.hpp"
    26 #include "Jobs/MPQCData.hpp"
    27 #include "Jobs/VMGData.hpp"
    2828
    2929/** This class uses SpecificFragmentController with functions to add specificly

  • src/Fragmentation/Containers/FragmentationChargeDensity.cpp

    r410405 r8e84fe  
    4646
    4747#include "Fragmentation/KeySetsContainer.hpp"
    48 #include "Fragmentation/Automation/createMatrixNrLookup.hpp"
    49 #include "Fragmentation/Automation/extractJobIds.hpp"
    50 #include "Fragmentation/Automation/parseKeySetFile.hpp"
     48#include "Fragmentation/Containers/createMatrixNrLookup.hpp"
     49#include "Fragmentation/Containers/extractJobIds.hpp"
     50#include "Fragmentation/Containers/parseKeySetFile.hpp"
    5151#include "Fragmentation/Summation/IndexSetContainer.hpp"
    5252#include "Fragmentation/Summation/OrthogonalSumUpPerLevel.hpp"

  • src/Fragmentation/Containers/FragmentationChargeDensity.hpp

    r410405 r8e84fe  
    1818#include <vector>
    1919
     20#ifdef HAVE_JOBMARKET
    2021#include "JobMarket/types.hpp"
     22#else
     23typedef size_t JobId_t;
     24#endif
    2125
     26#include "Fragmentation/Containers/MPQCData.hpp"
     27#include "Fragmentation/Containers/MPQCDataMap.hpp"
    2228#include "Fragmentation/SetValues/Fragment.hpp"
     29#include "Fragmentation/SetValues/SamplingGrid.hpp"
    2330#include "Fragmentation/Summation/IndexSet.hpp"
    24 #include "Jobs/MPQCData.hpp"
    25 #include "Jobs/MPQCDataMap.hpp"
    26 #include "Fragmentation/SetValues/SamplingGrid.hpp"
    2731
    2832class KeySetsContainer;

  • src/Fragmentation/Containers/FragmentationLongRangeResults.cpp

    r410405 r8e84fe  
    4545#include "CodePatterns/Log.hpp"
    4646
     47#include "Fragmentation/KeySetsContainer.hpp"
    4748#include "Fragmentation/Converter/DataConverter.hpp"
    48 #include "Fragmentation/KeySetsContainer.hpp"
    49 #include "Fragmentation/Automation/createMatrixNrLookup.hpp"
    50 #include "Fragmentation/Automation/extractJobIds.hpp"
    51 #include "Fragmentation/Automation/parseKeySetFile.hpp"
     49#include "Fragmentation/Containers/createMatrixNrLookup.hpp"
     50#include "Fragmentation/Containers/extractJobIds.hpp"
     51#include "Fragmentation/Containers/parseKeySetFile.hpp"
    5252#include "Fragmentation/Summation/AllLevelOrthogonalSummator.hpp"
    5353#include "Fragmentation/Summation/IndexSetContainer.hpp"

  • src/Fragmentation/Containers/FragmentationLongRangeResults.hpp

    r410405 r8e84fe  
    1818#include <vector>
    1919
     20#ifdef HAVE_JOBMARKET
    2021#include "JobMarket/types.hpp"
     22#else
     23typedef size_t JobId_t;
     24#endif
    2125
    2226#include "Fragmentation/KeySetsContainer.hpp"
    … …  
    2529#include "Fragmentation/Summation/SubsetMap.hpp"
    2630
    27 #include "Jobs/MPQCData.hpp"
    28 #include "Jobs/MPQCDataMap.hpp"
    29 #include "Jobs/VMGData.hpp"
    30 #include "Jobs/VMGDataMap.hpp"
     31#include "Fragmentation/Containers/MPQCData.hpp"
     32#include "Fragmentation/Containers/MPQCDataMap.hpp"
     33#include "Fragmentation/Containers/VMGData.hpp"
     34#include "Fragmentation/Containers/VMGDataMap.hpp"
    3135#include "Fragmentation/SetValues/SamplingGrid.hpp"
    3236

  • src/Fragmentation/Containers/FragmentationShortRangeResults.cpp

    r410405 r8e84fe  
    4545#include "CodePatterns/Log.hpp"
    4646
     47#include "Fragmentation/KeySetsContainer.hpp"
    4748#include "Fragmentation/Converter/DataConverter.hpp"
    48 #include "Fragmentation/KeySetsContainer.hpp"
    49 #include "Fragmentation/Automation/createMatrixNrLookup.hpp"
    50 #include "Fragmentation/Automation/extractJobIds.hpp"
    51 #include "Fragmentation/Automation/parseKeySetFile.hpp"
     49#include "Fragmentation/Containers/createMatrixNrLookup.hpp"
     50#include "Fragmentation/Containers/extractJobIds.hpp"
     51#include "Fragmentation/Containers/parseKeySetFile.hpp"
    5252#include "Fragmentation/Summation/AllLevelOrthogonalSummator.hpp"
    5353#include "Fragmentation/Summation/IndexSetContainer.hpp"

  • src/Fragmentation/Containers/FragmentationShortRangeResults.hpp

    r410405 r8e84fe  
    1818#include <vector>
    1919
     20#ifdef HAVE_JOBMARKET
    2021#include "JobMarket/types.hpp"
     22#else
     23typedef size_t JobId_t;
     24#endif
    2125
    2226#include "Fragmentation/KeySetsContainer.hpp"
    … …  
    2529#include "Fragmentation/Summation/SubsetMap.hpp"
    2630
    27 #include "Jobs/MPQCData.hpp"
    28 #include "Jobs/MPQCDataMap.hpp"
     31#include "Fragmentation/Containers/MPQCData.hpp"
     32#include "Fragmentation/Containers/MPQCDataMap.hpp"
    2933
    3034/** FragmentationShortRangeResults contains the summed up results per level resulting

  • src/Fragmentation/Containers/MPQCDataMap.hpp

    r410405 r8e84fe  
    1717#include <boost/mpl/list.hpp>
    1818
    19 #include "Jobs/MPQCDataFused.hpp"
     19#include "Fragmentation/Containers/MPQCDataFused.hpp"
    2020
    2121class Fragment;

  • src/Fragmentation/Containers/VMGDataMap.hpp

    r410405 r8e84fe  
    1818#include <boost/mpl/list.hpp>
    1919
    20 #include "Jobs/VMGDataFused.hpp"
     20#include "Fragmentation/Containers/VMGDataFused.hpp"
    2121
    2222class SamplingGrid;

  • src/Fragmentation/Containers/createMatrixNrLookup.hpp

    r410405 r8e84fe  
    1818#include <vector>
    1919
     20#ifdef HAVE_JOBMARKET
    2021#include "JobMarket/types.hpp"
     22#else
     23typedef size_t JobId_t;
     24#endif
    2125
    2226/** Creates a lookup from FragmentJob::id to the true fragment  number.

  • src/Fragmentation/Containers/extractJobIds.hpp

    r410405 r8e84fe  
    2222#include <boost/lambda/lambda.hpp>
    2323
     24#ifdef HAVE_JOBMARKET
    2425#include "JobMarket/types.hpp"
     26#else
     27typedef size_t JobId_t;
     28#endif
    2529
    2630template <typename T>

  • src/Fragmentation/Containers/unittests/MPQCDataUnitTest.cpp

    r410405 r8e84fe  
    4646#include "MPQCDataUnitTest.hpp"
    4747
    48 #include "Jobs/MPQCData.hpp"
     48#include "Fragmentation/Containers/MPQCData.hpp"
    4949
    5050#include "CodePatterns/Assert.hpp"

  • src/Fragmentation/Converter/DataConverter.hpp

    r410405 r8e84fe  
    2020#include "CodePatterns/Assert.hpp"
    2121
     22#ifdef HAVE_JOBMARKET
    2223#include "JobMarket/types.hpp"
     24#else
     25typedef size_t JobId_t;
     26#endif
    2327
    2428#include "Fragmentation/KeySetsContainer.hpp"
    … …  
    2731#include "Fragmentation/SetValues/IndexedVectors.hpp"
    2832
    29 #include "Jobs/MPQCData.hpp"
    30 #include "Jobs/MPQCDataFused.hpp"
    31 #include "Jobs/MPQCDataMap.hpp"
     33#include "Fragmentation/Containers/MPQCData.hpp"
     34#include "Fragmentation/Containers/MPQCDataFused.hpp"
     35#include "Fragmentation/Containers/MPQCDataMap.hpp"
    3236#ifdef HAVE_VMG
    33 #include "Jobs/VMGData.hpp"
    34 #include "Jobs/VMGDataFused.hpp"
    35 #include "Jobs/VMGDataMap.hpp"
     37#include "Fragmentation/Containers/VMGData.hpp"
     38#include "Fragmentation/Containers/VMGDataFused.hpp"
     39#include "Fragmentation/Containers/VMGDataMap.hpp"
    3640#endif
    3741

  • src/Fragmentation/Summation/OrthogonalSumUpPerLevel.hpp

    r410405 r8e84fe  
    2424#include "Fragmentation/Summation/IndexSetContainer.hpp"
    2525
    26 #include "Jobs/MPQCData.hpp"
     26#include "Fragmentation/Containers/MPQCData.hpp"
    2727
    2828#include <boost/mpl/for_each.hpp>

  • src/Fragmentation/Summation/OrthogonalSummator.hpp

    r410405 r8e84fe  
    2222#include "Fragmentation/Summation/OrthogonalSummation.hpp"
    2323#include "Fragmentation/Summation/SetValue.hpp"
    24 #include "Jobs/MPQCDataMap.hpp"
     24#include "Fragmentation/Containers/MPQCDataMap.hpp"
    2525
    2626/** OrthogonalSummator is a general class for making us of OrthogonalSummation.

  • src/Fragmentation/Summation/SumUpPerLevel.hpp

    r410405 r8e84fe  
    2323#include "Fragmentation/Summation/IndexSetContainer.hpp"
    2424
    25 #include "Jobs/MPQCData.hpp"
     25#include "Fragmentation/Containers/MPQCData.hpp"
    2626
    2727#include <boost/mpl/for_each.hpp>

  • src/Fragmentation/Summation/Summator.hpp

    r410405 r8e84fe  
    2222#include "Fragmentation/Summation/Summation.hpp"
    2323#include "Fragmentation/Summation/SetValue.hpp"
    24 #include "Jobs/MPQCDataMap.hpp"
     24#include "Fragmentation/Containers/MPQCDataMap.hpp"
    2525
    2626/** Summator is a general class for making us of Summation.

  • src/Jobs/InterfaceVMGJob.hpp

    r410405 r8e84fe  
    2020#include "units/particle/particle.hpp"
    2121
    22 #include "Jobs/VMGData.hpp"
     22#include "Fragmentation/Containers/VMGData.hpp"
    2323#include "Fragmentation/SetValues/SamplingGrid.hpp"
    2424

  • src/Jobs/MPQCCommandJob.hpp

    r410405 r8e84fe  
    2121#include "JobMarket/Jobs/SystemCommandJob.hpp"
    2222
    23 #include "Jobs/MPQCData.hpp"
     23#include "Fragmentation/Containers/MPQCData.hpp"
    2424
    2525class MPQCCommandJobTest;

  • src/Jobs/MPQCJob.hpp

    r410405 r8e84fe  
    2020
    2121#include "Fragmentation/SetValues/SamplingGridProperties.hpp"
    22 #include "Jobs/MPQCData.hpp"
     22#include "Fragmentation/Containers/MPQCData.hpp"
    2323
    2424#include <string>

  • src/Jobs/Makefile.am

    r410405 r8e84fe  
    44JOBSSOURCE = \
    55        Jobs/MPQCCommandJob.cpp \
    6         Jobs/MPQCData.cpp \
    76        Jobs/MPQCJob.cpp
    87if CONDVMG
    … …  
    109        Jobs/InterfaceVMGDebugGridJob.cpp \
    1110        Jobs/InterfaceVMGJob.cpp \
    12         Jobs/VMGData.cpp \
    1311        Jobs/VMGDebugGridJob.cpp \
    1412        Jobs/VMGJob.cpp \
    … …  
    1917        Jobs/MPQCCommandJob.hpp \
    2018        Jobs/MPQCCommandJob_binding.hpp \
    21         Jobs/MPQCData.hpp \
    22         Jobs/MPQCDataFused.hpp \
    23         Jobs/MPQCDataMap.hpp \
    24         Jobs/MPQCData_printKeyNames.hpp \
    2519        Jobs/MPQCJob.hpp \
    2620        Jobs/MPQCJob_binding.hpp
    … …  
    2923        Jobs/InterfaceVMGDebugGridJob.hpp \
    3024        Jobs/InterfaceVMGJob.hpp \
    31         Jobs/VMGData.hpp \
    32         Jobs/VMGDataFused.hpp \
    33         Jobs/VMGDataMap.hpp \
    34         Jobs/VMGData_printKeyNames.hpp \
    3525        Jobs/VMGDebugGridJob.hpp \
    3626        Jobs/VMGDebugGridJob_binding.hpp \

  • src/Jobs/VMGJob.hpp

    r410405 r8e84fe  
    2020#include "JobMarket/Jobs/FragmentJob.hpp"
    2121#include "Fragmentation/SetValues/SamplingGrid.hpp"
    22 #include "Jobs/VMGData.hpp"
     22#include "Fragmentation/Containers/VMGData.hpp"
    2323
    2424#include <vector>

  • src/Jobs/unittests/Makefile.am

    r410405 r8e84fe  
    33
    44JOBSTESTSSOURCES = \
    5   ../Jobs/unittests/MPQCCommandJobUnitTest.cpp \
    6   ../Jobs/unittests/MPQCDataUnitTest.cpp
     5  ../Jobs/unittests/MPQCCommandJobUnitTest.cpp
    76 
    87JOBSTESTSHEADERS = \
    9   ../Jobs/unittests/MPQCCommandJobUnitTest.hpp \
    10   ../Jobs/unittests/MPQCDataUnitTest.hpp
     8  ../Jobs/unittests/MPQCCommandJobUnitTest.hpp
    119
    1210JOBSTESTS = \
    13   MPQCCommandJobUnitTest \
    14   MPQCDataUnitTest
     11  MPQCCommandJobUnitTest
    1512
    1613
    … …  
    2017
    2118JOBSLIBS = \
    22   ../libMolecuilderJobs.la \
    23   $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
    24   $(BOOST_THREAD_LDFLAGS) $(BOOST_THREAD_LIBS) \
    25   $(BOOST_SYSTEM_LDFLAGS) $(BOOST_SYSTEM_LIBS) \
    26   ${CodePatterns_LIBS}
     19        ../libMolecuilderJobs.la \
     20        ../libMolecuilderFragmentationContainers.la \
     21        $(JobMarket_LIBS) \
     22        $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
     23        $(BOOST_THREAD_LDFLAGS) $(BOOST_THREAD_LIBS) \
     24        $(BOOST_SYSTEM_LDFLAGS) $(BOOST_SYSTEM_LIBS) \
     25        ${CodePatterns_LIBS}
    2726
    2827MPQCCommandJobUnitTest_LDFLAGS = ${CodePatterns_LIBS} $(CPPUNIT_LIBS) -ldl
    … …  
    3130  ../Jobs/unittests/MPQCCommandJobUnitTest.cpp \
    3231  ../Jobs/unittests/MPQCCommandJobUnitTest.hpp
    33 MPQCCommandJobUnitTest_LDADD = \
    34   ../libMolecuilderJobs.la \
    35         $(JobMarket_LIBS) \
    36   $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
    37   $(BOOST_SYSTEM_LDFLAGS) $(BOOST_SYSTEM_LIBS) \
    38   ${CodePatterns_LIBS}
    39 
    40 MPQCDataUnitTest_LDFLAGS = ${CodePatterns_LIBS} $(CPPUNIT_LIBS) -ldl
    41 MPQCDataUnitTest_CPPFLAGS = ${BOOST_CPPFLAGS} $(CPPUNIT_CFLAGS) ${CodePatterns_CFLAGS}
    42 MPQCDataUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
    43   ../Jobs/unittests/MPQCDataUnitTest.cpp \
    44   ../Jobs/unittests/MPQCDataUnitTest.hpp
    45 MPQCDataUnitTest_LDADD = \
    46   ../libMolecuilderJobs.la \
    47   $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
    48   $(BOOST_SYSTEM_LDFLAGS) $(BOOST_SYSTEM_LIBS) \
    49   ${CodePatterns_LIBS}
     32MPQCCommandJobUnitTest_LDADD = ${JOBSLIBS}
    5033
    5134#AUTOMAKE_OPTIONS = parallel-test

  • src/Makefile.am

    r410405 r8e84fe  
    1616include Filling/Makefile.am
    1717include Fragmentation/Makefile.am
     18include Fragmentation/Containers/Makefile.am
    1819include Fragmentation/Converter/Makefile.am
    1920include Fragmentation/Summation/Makefile.am
    … …  
    448449        libFragmentationAutomationController.la \
    449450        libMolecuilderJobs.la \
     451        libMolecuilderFragmentationContainers.la \
    450452        libMolecuilderFragmentation_getFromKeysetStub.la \
    451453        libMolecuilderFragmentation.la \
    … …  
    462464PoolWorker_LDADD = \
    463465        libMolecuilderJobs.la \
     466        libMolecuilderFragmentationContainers.la \
    464467        ${JobMarket_PoolWorker_LIBS} \
    465468        $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \
    … …  
    473476Server_LDADD = \
    474477        libMolecuilderJobs.la \
     478        libMolecuilderFragmentationContainers.la \
    475479        ${JobMarket_Server_LIBS} \
    476480        $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \

  • src/UIElements/Makefile.am

    r410405 r8e84fe  
    251251libMolecuilderUI_la_LIBADD += \
    252252        libMolecuilderJobs.la \
    253         ${JobMarket_Controller_LIBS}
     253        ${JobMarket_Controller_LIBS} \
     254        libMolecuilderFragmentationAutomation.la
    254255endif
    255256libMolecuilderUI_la_LIBADD += \
    256         libMolecuilderFragmentationAutomation.la \
     257        libMolecuilderFragmentationContainers.la \
    257258        libMolecuilderFragmentationConverter.la \
    258259        libMolecuilderFragmentationSummation.la \

  • src/controller_MPQCCommandJob.cpp

    r410405 r8e84fe  
    6666
    6767#include "Jobs/MPQCCommandJob.hpp"
    68 #include "Jobs/MPQCData.hpp"
     68#include "Fragmentation/Containers/MPQCData.hpp"
    6969
    7070#include "LinearAlgebra/defs.hpp"

  • src/unittests/Makefile.am

    r410405 r8e84fe  
    1717include ../../src/FunctionApproximation/unittests/Makefile.am
    1818include ../../src/Fragmentation/unittests/Makefile.am
     19include ../../src/Fragmentation/Containers/unittests/Makefile.am
    1920include ../../src/Fragmentation/Exporters/unittests/Makefile.am
    2021include ../../src/Fragmentation/Homology/unittests/Makefile.am
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