Ignore:
Timestamp:
Apr 15, 2013, 6:13:22 PM (12 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, 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:
410405
Parents:
0cd8cf
git-author:
Frederik Heber <heber@…> (04/10/13 12:56:31)
git-committer:
Frederik Heber <heber@…> (04/15/13 18:13:22)
Message:

Moved SamplingGrid... over to Fragmentation/SetValues.

  • adapted all includes accordingly.
  • libMolecuilderSetvalues is now shared.
  • the dependency was wrong so far. Jobs are intimately attached to the JobMarket (as are Fragmentation/Automation's controllers) but the grid stuff is just another setvalue that stands on its own. Hence, stuff in Jobs may depend on modules in Fragmentation.
Location:
src/Fragmentation/SetValues
Files:
2 edited
9 moved

Legend:

Unmodified
Added
Removed

  • src/Fragmentation/SetValues/Makefile.am

    r0cd8cf r7b0494  
    55        Fragmentation/SetValues/Fragment.cpp \
    66        Fragmentation/SetValues/Histogram.cpp \
    7         Fragmentation/SetValues/IndexedVectors.cpp
     7        Fragmentation/SetValues/IndexedVectors.cpp \
     8        Fragmentation/SetValues/SamplingGrid.cpp \
     9        Fragmentation/SetValues/SamplingGridProperties.cpp
    810
    911FRAGMENTATIONSETVALUESHEADER = \
    1012        Fragmentation/SetValues/Fragment.hpp \
    1113        Fragmentation/SetValues/Histogram.hpp \
    12         Fragmentation/SetValues/IndexedVectors.hpp
     14        Fragmentation/SetValues/IndexedVectors.hpp \
     15        Fragmentation/SetValues/SamplingGrid.hpp \
     16        Fragmentation/SetValues/SamplingGrid_inline.hpp \
     17        Fragmentation/SetValues/SamplingGridProperties.hpp
    1318
    14 
    15 noinst_LTLIBRARIES += libMolecuilderFragmentationSetValues.la
     19lib_LTLIBRARIES += libMolecuilderFragmentationSetValues.la
    1620libMolecuilderFragmentationSetValues_la_includedir = $(includedir)/MoleCuilder/Fragmentation/SetValues/
    1721libMolecuilderFragmentationSetValues_la_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS}
    … …  
    3640## library file (.so).  The library ABI version is defined in configure.ac, so
    3741## that all version information is kept in one place.
    38 #libMolecuilderFragmentationSetValues_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
     42libMolecuilderFragmentationSetValues_la_LDFLAGS += -version-info $(MOLECUILDER_SO_VERSION)
    3943
    4044## The generated configuration header is installed in its own subdirectory of
    … …  
    4953## configuration header file is generated at configure time and should not be
    5054## shipped with the source tarball.
    51 #libMolecuilderFragmentationSetValues_libincludedir = $(libdir)/MoleCuilder/include
    52 #nodist_libMolecuilderFragmentationSetValues_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
     55libMolecuilderFragmentationSetValues_libincludedir = $(libdir)/MoleCuilder/include
     56nodist_libMolecuilderFragmentationSetValues_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
    5357
    5458## Install the generated pkg-config file (.pc) into the expected location for

  • src/Fragmentation/SetValues/SamplingGrid.cpp

    r0cd8cf r7b0494  
    4040#include "CodePatterns/MemDebug.hpp"
    4141
    42 #include "Jobs/Grid/SamplingGrid.hpp"
     42#include "Fragmentation/SetValues/SamplingGrid.hpp"
    4343
    4444#include <boost/bind.hpp>

  • src/Fragmentation/SetValues/SamplingGrid.hpp

    r0cd8cf r7b0494  
    2121#include "boost/serialization/vector.hpp"
    2222
    23 #include "Jobs/Grid/SamplingGridProperties.hpp"
     23#include "Fragmentation/SetValues/SamplingGridProperties.hpp"
    2424
    2525class MPQCData;

  • src/Fragmentation/SetValues/SamplingGridProperties.cpp

    r0cd8cf r7b0494  
    4040#include "CodePatterns/MemDebug.hpp"
    4141
    42 #include "Jobs/Grid/SamplingGridProperties.hpp"
     42#include "Fragmentation/SetValues/SamplingGridProperties.hpp"
    4343
    4444SamplingGridProperties::SamplingGridProperties(

  • src/Fragmentation/SetValues/unittests/Makefile.am

    r0cd8cf r7b0494  
    55        ../Fragmentation/SetValues/unittests/FragmentUnitTest.cpp \
    66        ../Fragmentation/SetValues/unittests/HistogramUnitTest.cpp \
    7         ../Fragmentation/SetValues/unittests/IndexedVectorsUnitTest.cpp
     7        ../Fragmentation/SetValues/unittests/IndexedVectorsUnitTest.cpp \
     8        ../Fragmentation/SetValues/unittests/SamplingGridPropertiesUnitTest.cpp \
     9        ../Fragmentation/SetValues/unittests/SamplingGridUnitTest.cpp
    810
    911FRAGMENTATIONSETVALUESTESTSHEADERS = \
    1012        ../Fragmentation/SetValues/unittests/FragmentUnitTest.hpp \
    1113        ../Fragmentation/SetValues/unittests/HistogramUnitTest.hpp \
    12         ../Fragmentation/SetValues/unittests/IndexedVectorsUnitTest.hpp
     14        ../Fragmentation/SetValues/unittests/IndexedVectorsUnitTest.hpp \
     15        ../Fragmentation/SetValues/unittests/SamplingGridPropertiesUnitTest.hpp \
     16        ../Fragmentation/SetValues/unittests/SamplingGridUnitTest.hpp
    1317
    1418FRAGMENTATIONSETVALUESTESTS = \
    1519        FragmentUnitTest \
    16   HistogramUnitTest \
    17   IndexedVectorsUnitTest
     20        HistogramUnitTest \
     21        IndexedVectorsUnitTest \
     22        SamplingGridPropertiesUnitTest \
     23        SamplingGridUnitTest
    1824
    1925TESTS += $(FRAGMENTATIONSETVALUESTESTS)
    … …  
    3238        ${FRAGMENTATIONSETVALUESLIBS} \
    3339        $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS)
    34        
    3540
    3641HistogramUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
    … …  
    4449IndexedVectorsUnitTest_LDADD = ${FRAGMENTATIONSETVALUESLIBS}
    4550
     51SamplingGridPropertiesUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     52        ../Fragmentation/SetValues/unittests/SamplingGridPropertiesUnitTest.cpp \
     53        ../Fragmentation/SetValues/unittests/SamplingGridPropertiesUnitTest.hpp
     54SamplingGridPropertiesUnitTest_LDADD = ${FRAGMENTATIONSETVALUESLIBS}
     55
     56SamplingGridUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
     57        ../Fragmentation/SetValues/unittests/SamplingGridUnitTest.cpp \
     58        ../Fragmentation/SetValues/unittests/SamplingGridUnitTest.hpp
     59SamplingGridUnitTest_LDADD = ${FRAGMENTATIONSETVALUESLIBS}
     60
    4661#AUTOMAKE_OPTIONS = parallel-tests

  • src/Fragmentation/SetValues/unittests/SamplingGridPropertiesUnitTest.hpp

    r0cd8cf r7b0494  
    1717#include <cppunit/extensions/HelperMacros.h>
    1818
    19 #include "Jobs/Grid/SamplingGridProperties.hpp"
     19#include "Fragmentation/SetValues/SamplingGridProperties.hpp"
    2020
    2121/********************************************** Test classes **************************************/

  • src/Fragmentation/SetValues/unittests/SamplingGridUnitTest.hpp

    r0cd8cf r7b0494  
    1717#include <cppunit/extensions/HelperMacros.h>
    1818
    19 #include "Jobs/Grid/SamplingGrid.hpp"
     19#include "Fragmentation/SetValues/SamplingGrid.hpp"
    2020
    2121/********************************************** Test classes **************************************/
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