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:
a3427f
Parents:
8e84fe
git-author:
Frederik Heber <heber@…> (04/10/13 16:11:13)
git-committer:
Frederik Heber <heber@…> (04/15/13 18:13:22)
Message:

Placed Containers, Converter, and SetValues as subfolders into Summation.

  • also libMolecuilderFragmentationSummation is now a shared library, easing linkage to libMolecuilderJobs, and contains all of the three convenience libraries.
  • libMolecuilderFragmentationSetValues is now again convenience, as contained in ..Summation which in turn is shared.
  • KeySetsContainer right now is the link between lib..Summation and lib.. Fragmentation. Hence, we had to extract the module and change it into a shared library, as it is required by libMolecuilderJobs through ..Summation but also by ..Fragmentation that heavily relies on this container.
  • moved parseKeySetFile down into Fragmentation folder to KeySetsContainer, it is also contained in new shared library libMolecuilderFragmentation_ KeySetsContainer.
File:
1 edited

Legend:

Unmodified
Added
Removed
  • src/Fragmentation/Makefile.am

    r8e84fe rfbf143  
    2121        Fragmentation/HessianMatrix.cpp \
    2222        Fragmentation/KeySet.cpp \
    23         Fragmentation/KeySetsContainer.cpp \
    2423        Fragmentation/MatrixContainer.cpp \
    2524        Fragmentation/PowerSetGenerator.cpp \
     
    5049        Fragmentation/HydrogenSaturation_enum.hpp \
    5150        Fragmentation/KeySet.hpp \
    52         Fragmentation/KeySetsContainer.hpp \
    5351        Fragmentation/MatrixContainer.hpp \
    5452        Fragmentation/Mask.hpp \
     
    6563endif
    6664
     65lib_LTLIBRARIES += \
     66        libMolecuilderFragmentation_KeysetsContainer.la
    6767noinst_LTLIBRARIES += \
    6868        libMolecuilderFragmentation.la \
     
    7070        libMolecuilderFragmentation_getFromKeysetStub.la
    7171libMolecuilderFragmentation_la_includedir = $(includedir)/MoleCuilder/Fragmentation/
     72libMolecuilderFragmentation_KeysetsContainer_la_includedir = $(includedir)/MoleCuilder/Fragmentation/
    7273libMolecuilderFragmentation_getFromKeyset_la_includedir = $(includedir)/MoleCuilder/Fragmentation/
    7374libMolecuilderFragmentation_getFromKeysetStub_la_includedir = $(includedir)/MoleCuilder/Fragmentation/
    7475libMolecuilderFragmentation_la_CPPFLAGS = $(AM_CPPFLAGS)
    7576libMolecuilderFragmentation_la_LDFLAGS = $(AM_LDFLAGS)
     77libMolecuilderFragmentation_KeysetsContainer_la_LIBADD = \
     78        $(CodePatterns_LIBS)
    7679libMolecuilderFragmentation_la_LIBADD =
    7780if CONDJOBMARKET
     
    8285
    8386nobase_libMolecuilderFragmentation_la_include_HEADERS = ${FRAGMENTATIONHEADER}
     87nobase_libMolecuilderFragmentation_KeysetsContainer_la_include_HEADERS = \
     88        Fragmentation/KeySetsContainer.hpp \
     89        Fragmentation/parseKeySetFile.hpp
    8490
    8591## Define the source file list for the "libexample-@MOLECUILDER_API_VERSION@.la"
     
    9298## which are already listed elsewhere in a _HEADERS variable assignment.
    9399libMolecuilderFragmentation_la_SOURCES = ${FRAGMENTATIONSOURCE}
     100libMolecuilderFragmentation_KeysetsContainer_la_SOURCES = \
     101        Fragmentation/KeySetsContainer.cpp \
     102        Fragmentation/parseKeySetFile.cpp
    94103libMolecuilderFragmentation_getFromKeyset_la_SOURCES = \
    95104        Fragmentation/Homology/HomologyGraph_getFromKeyset.cpp
     
    100109## library file (.so).  The library ABI version is defined in configure.ac, so
    101110## that all version information is kept in one place.
    102 #libMolecuilderFragmentation_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
     111libMolecuilderFragmentation_KeysetsContainer_la_LDFLAGS = -version-info $(MOLECUILDER_SO_VERSION)
    103112
    104113## The generated configuration header is installed in its own subdirectory of
     
    113122## configuration header file is generated at configure time and should not be
    114123## shipped with the source tarball.
    115 #libMolecuilderFragmentation_libincludedir = $(libdir)/MoleCuilder/include
    116 #nodist_libMolecuilderFragmentation_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
     124libMolecuilderFragmentation_KeysetsContainer_libincludedir = $(libdir)/MoleCuilder/include
     125nodist_libMolecuilderFragmentation_KeysetsContainer_libinclude_HEADERS = $(top_builddir)/libmolecuilder_config.h
    117126
    118127## Install the generated pkg-config file (.pc) into the expected location for
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