Changeset fe0355 for src

Timestamp:

Dec 16, 2012, 7:47:28 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:

f06d52

Parents:

610c11

git-author:

Frederik Heber <heber@…> (10/02/12 16:02:13)

git-committer:

Frederik Heber <heber@…> (12/16/12 19:47:28)

Message:

Split HomologyGraph_getFromKeyset module off from libMolecuilderFragmentation.

• added stub into own module to allow linking against libMolecuilderFragmentation independently from libMolecuilderUI remainder.
• changed libHomologyContainer linking accordingly.
• this is especially useful for NNtester and LevMartester.

Location:

src

Files:

• Fragmentation/Homology/HomologyGraph_getFromKeysetStub.cpp (moved) (moved from src/Fragmentation/Homology/unittests/stubs/HomologyGraph_getFromKeysetStub.cpp )
• Fragmentation/Homology/unittests/Makefile.am (modified) (2 diffs)
• Fragmentation/Makefile.am (modified) (3 diffs)
• Makefile.am (modified) (3 diffs)
• UIElements/Makefile.am (modified) (1 diff)

src/Fragmentation/Homology/unittests/Makefile.am

@@ -26 +26 @@
 FRAGMENTATIONHOMOLOGYLIBS = \
         ../libMolecuilderFragmentation.la \
+        ../libMolecuilderFragmentation_getFromKeysetStub.la \
         ../libMolecuilderHelpers.la \
         ${CodePatterns_LIBS} \
@@ -52 +53 @@
 HomologyGraphUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
         ../Fragmentation/Homology/unittests/HomologyGraphUnitTest.cpp \
-        ../Fragmentation/Homology/unittests/HomologyGraphUnitTest.hpp \
-        ../Fragmentation/Homology/unittests/stubs/HomologyGraph_getFromKeysetStub.cpp
+        ../Fragmentation/Homology/unittests/HomologyGraphUnitTest.hpp
 HomologyGraphUnitTest_LDADD = ${FRAGMENTATIONHOMOLOGYLIBS}
 

src/Fragmentation/Makefile.am

@@ -9 +9 @@
         Fragmentation/Homology/HomologyContainer.cpp \
         Fragmentation/Homology/HomologyGraph.cpp \
-        Fragmentation/Homology/HomologyGraph_getFromKeyset.cpp \
         Fragmentation/AdaptivityMap.cpp \
         Fragmentation/BondsPerShortestPath.cpp \
@@ -56 +55 @@
 
 
-noinst_LTLIBRARIES += libMolecuilderFragmentation.la
+noinst_LTLIBRARIES += \
+        libMolecuilderFragmentation.la \
+        libMolecuilderFragmentation_getFromKeyset.la \
+        libMolecuilderFragmentation_getFromKeysetStub.la
 libMolecuilderFragmentation_la_includedir = $(includedir)/MoleCuilder/Fragmentation/
+libMolecuilderFragmentation_getFromKeyset_la_includedir = $(includedir)/MoleCuilder/Fragmentation/
+libMolecuilderFragmentation_getFromKeysetStub_la_includedir = $(includedir)/MoleCuilder/Fragmentation/
 
 nobase_libMolecuilderFragmentation_la_include_HEADERS = ${FRAGMENTATIONHEADER}
@@ -70 +74 @@
 ## which are already listed elsewhere in a _HEADERS variable assignment.
 libMolecuilderFragmentation_la_SOURCES = ${FRAGMENTATIONSOURCE}
+libMolecuilderFragmentation_getFromKeyset_la_SOURCES = \
+        Fragmentation/Homology/HomologyGraph_getFromKeyset.cpp
+libMolecuilderFragmentation_getFromKeysetStub_la_SOURCES = \
+        Fragmentation/Homology/HomologyGraph_getFromKeysetStub.cpp
 
 ## Instruct libtool to include ABI version information in the generated shared

src/Makefile.am

@@ -401 +401 @@
 joiner_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
 joiner_LDADD = \
+        libMolecuilderFragmentation_getFromKeysetStub.la \
         libMolecuilderFragmentation.la \
         libMolecuilderHelpers.la \
@@ -412 +413 @@
 analyzer_LDFLAGS = $(AM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
 analyzer_LDADD = \
+        libMolecuilderFragmentation_getFromKeysetStub.la \
         libMolecuilderFragmentation.la \
         libMolecuilderHelpers.la \
@@ -446 +448 @@
         libFragmentationAutomationController.la \
         libMolecuilderJobs.la \
+        libMolecuilderFragmentation_getFromKeysetStub.la \
         libMolecuilderFragmentation.la \
         libMolecuilderHelpers.la \

src/UIElements/Makefile.am

@@ -238 +238 @@
         libMolecuilderFilling.la \
         libMolecuilder.la \
+        libMolecuilderFragmentation_getFromKeyset.la \
         libMolecuilderFragmentation.la \
         libMolecuilderParser.la \