Changeset 8e84fe for src/Jobs

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:

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/Jobs

Files:

• InterfaceVMGJob.hpp (modified) (1 diff)
• MPQCCommandJob.hpp (modified) (1 diff)
• MPQCJob.hpp (modified) (1 diff)
• Makefile.am (modified) (4 diffs)
• VMGJob.hpp (modified) (1 diff)
• unittests/Makefile.am (modified) (3 diffs)

src/Jobs/InterfaceVMGJob.hpp

@@ -20 +20 @@
 #include "units/particle/particle.hpp"
 
-#include "Jobs/VMGData.hpp"
+#include "Fragmentation/Containers/VMGData.hpp"
 #include "Fragmentation/SetValues/SamplingGrid.hpp"
 

src/Jobs/MPQCCommandJob.hpp

@@ -21 +21 @@
 #include "JobMarket/Jobs/SystemCommandJob.hpp"
 
-#include "Jobs/MPQCData.hpp"
+#include "Fragmentation/Containers/MPQCData.hpp"
 
 class MPQCCommandJobTest;

src/Jobs/MPQCJob.hpp

@@ -20 +20 @@
 
 #include "Fragmentation/SetValues/SamplingGridProperties.hpp"
-#include "Jobs/MPQCData.hpp"
+#include "Fragmentation/Containers/MPQCData.hpp"
 
 #include <string>

src/Jobs/Makefile.am

@@ -4 +4 @@
 JOBSSOURCE = \
         Jobs/MPQCCommandJob.cpp \
-        Jobs/MPQCData.cpp \
         Jobs/MPQCJob.cpp
 if CONDVMG
@@ -10 +9 @@
         Jobs/InterfaceVMGDebugGridJob.cpp \
         Jobs/InterfaceVMGJob.cpp \
-        Jobs/VMGData.cpp \
         Jobs/VMGDebugGridJob.cpp \
         Jobs/VMGJob.cpp \
@@ -19 +17 @@
         Jobs/MPQCCommandJob.hpp \
         Jobs/MPQCCommandJob_binding.hpp \
-        Jobs/MPQCData.hpp \
-        Jobs/MPQCDataFused.hpp \
-        Jobs/MPQCDataMap.hpp \
-        Jobs/MPQCData_printKeyNames.hpp \
         Jobs/MPQCJob.hpp \
         Jobs/MPQCJob_binding.hpp
@@ -29 +23 @@
         Jobs/InterfaceVMGDebugGridJob.hpp \
         Jobs/InterfaceVMGJob.hpp \
-        Jobs/VMGData.hpp \
-        Jobs/VMGDataFused.hpp \
-        Jobs/VMGDataMap.hpp \
-        Jobs/VMGData_printKeyNames.hpp \
         Jobs/VMGDebugGridJob.hpp \
         Jobs/VMGDebugGridJob_binding.hpp \

src/Jobs/VMGJob.hpp

@@ -20 +20 @@
 #include "JobMarket/Jobs/FragmentJob.hpp"
 #include "Fragmentation/SetValues/SamplingGrid.hpp"
-#include "Jobs/VMGData.hpp"
+#include "Fragmentation/Containers/VMGData.hpp"
 
 #include <vector>

src/Jobs/unittests/Makefile.am

@@ -3 +3 @@
 
 JOBSTESTSSOURCES = \
-  ../Jobs/unittests/MPQCCommandJobUnitTest.cpp \
-  ../Jobs/unittests/MPQCDataUnitTest.cpp
+  ../Jobs/unittests/MPQCCommandJobUnitTest.cpp
   
 JOBSTESTSHEADERS = \
-  ../Jobs/unittests/MPQCCommandJobUnitTest.hpp \
-  ../Jobs/unittests/MPQCDataUnitTest.hpp
+  ../Jobs/unittests/MPQCCommandJobUnitTest.hpp
 
 JOBSTESTS = \
-  MPQCCommandJobUnitTest \
-  MPQCDataUnitTest
+  MPQCCommandJobUnitTest
 
 
@@ -20 +17 @@
 
 JOBSLIBS = \
-  ../libMolecuilderJobs.la \
-  $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
-  $(BOOST_THREAD_LDFLAGS) $(BOOST_THREAD_LIBS) \
-  $(BOOST_SYSTEM_LDFLAGS) $(BOOST_SYSTEM_LIBS) \
-  ${CodePatterns_LIBS}
+        ../libMolecuilderJobs.la \
+        ../libMolecuilderFragmentationContainers.la \
+        $(JobMarket_LIBS) \
+        $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
+        $(BOOST_THREAD_LDFLAGS) $(BOOST_THREAD_LIBS) \
+        $(BOOST_SYSTEM_LDFLAGS) $(BOOST_SYSTEM_LIBS) \
+        ${CodePatterns_LIBS}
 
 MPQCCommandJobUnitTest_LDFLAGS = ${CodePatterns_LIBS} $(CPPUNIT_LIBS) -ldl
@@ -31 +30 @@
   ../Jobs/unittests/MPQCCommandJobUnitTest.cpp \
   ../Jobs/unittests/MPQCCommandJobUnitTest.hpp
-MPQCCommandJobUnitTest_LDADD = \
-  ../libMolecuilderJobs.la \
-        $(JobMarket_LIBS) \
-  $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
-  $(BOOST_SYSTEM_LDFLAGS) $(BOOST_SYSTEM_LIBS) \
-  ${CodePatterns_LIBS}
-
-MPQCDataUnitTest_LDFLAGS = ${CodePatterns_LIBS} $(CPPUNIT_LIBS) -ldl
-MPQCDataUnitTest_CPPFLAGS = ${BOOST_CPPFLAGS} $(CPPUNIT_CFLAGS) ${CodePatterns_CFLAGS}
-MPQCDataUnitTest_SOURCES = $(top_srcdir)/src/unittests/UnitTestMain.cpp \
-  ../Jobs/unittests/MPQCDataUnitTest.cpp \
-  ../Jobs/unittests/MPQCDataUnitTest.hpp
-MPQCDataUnitTest_LDADD = \
-  ../libMolecuilderJobs.la \
-  $(BOOST_SERIALIZATION_LDFLAGS) $(BOOST_SERIALIZATION_LIBS) \
-  $(BOOST_SYSTEM_LDFLAGS) $(BOOST_SYSTEM_LIBS) \
-  ${CodePatterns_LIBS}
+MPQCCommandJobUnitTest_LDADD = ${JOBSLIBS}
 
 #AUTOMAKE_OPTIONS = parallel-test