- Timestamp:
- Jul 6, 2012, 10:18:47 AM (13 years ago)
- 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:
- c8446c
- Parents:
- a10cc0
- git-author:
- Frederik Heber <heber@…> (06/04/12 09:19:42)
- git-committer:
- Frederik Heber <heber@…> (07/06/12 10:18:47)
- Location:
- src
- Files:
-
- 5 edited
Legend:
- Unmodified
- Added
- Removed
-
src/ControllerOptions_MPQCCommandJob.hpp
ra10cc0 r7da5cd 18 18 #include <string> 19 19 20 #include " ControllerOptions.hpp"20 #include "JobMarket/Controller/ControllerOptions.hpp" 21 21 22 22 struct ControllerOptions_MPQCCommandJob : public ControllerOptions -
src/Makefile.am
ra10cc0 r7da5cd 258 258 libmenu_a_SOURCES = ${UISOURCE} ${UIHEADER} 259 259 noinst_LIBRARIES = libmenu.a 260 bin_PROGRAMS += molecuilder joiner analyzer ControllerPoolWorker Server260 bin_PROGRAMS += molecuilder joiner analyzer PoolWorker Server 261 261 EXTRA_PROGRAMS = unity 262 262 … … 361 361 CONTROLLERSOURCE = \ 362 362 controller_MPQCCommandJob.cpp \ 363 ControllerCommandRegistry.cpp \ 364 ControllerOptions.cpp \ 365 ControllerOptions_MPQCCommandJob.cpp \ 366 DefaultOptions.cpp 363 ControllerOptions_MPQCCommandJob.cpp 367 364 368 365 CONTROLLERHEADER = \ 369 controller_AddOn.hpp \370 366 controller_MPQCCommandJob.hpp \ 371 ControllerCommand.hpp \ 372 ControllerCommandRegistry.hpp \ 373 ControllerOptions.hpp \ 374 ControllerOptions_MPQCCommandJob.hpp \ 375 DefaultOptions.hpp 376 377 EXTRA_DIST += \ 378 controller_AddOn_SystemCommandJob.cpp \ 379 controller_SystemCommandJob.cpp \ 380 controller_SystemCommandJob.hpp \ 381 ControllerOptions_SystemCommandJob.cpp \ 382 ControllerOptions_SystemCommandJob.hpp 383 367 ControllerOptions_MPQCCommandJob.hpp 368 384 369 385 370 noinst_LTLIBRARIES += libFragmentationAutomationController.la … … 390 375 $(top_builddir)/JobMarket/src/JobMarket/libJobMarket.la 391 376 392 POOLWORKERSOURCE = \393 DefaultOptions.cpp \394 SignalHandler.cpp \395 SignalOptions.cpp \396 WorkerOptions.cpp397 398 POOLWORKERHEADER = \399 DefaultOptions.hpp \400 SignalHandler.hpp \401 SignalOptions.hpp \402 WorkerOptions.hpp403 404 lib_LTLIBRARIES += libFragmentationAutomationPoolWorker.la405 libFragmentationAutomationPoolWorker_la_includedir = $(includedir)/MoleCuilder/JobMarket406 nobase_libFragmentationAutomationPoolWorker_la_include_HEADERS = $(POOLWORKERHEADER)407 libFragmentationAutomationPoolWorker_la_SOURCES = $(POOLWORKERSOURCE)408 libFragmentationAutomationPoolWorker_la_LIBADD = \409 $(top_builddir)/JobMarket/src/JobMarket/libJobMarket.la410 411 SERVERSOURCE = \412 DefaultOptions.cpp \413 ServerOptions.cpp \414 SignalHandler.cpp \415 SignalOptions.cpp416 417 SERVERHEADER = \418 DefaultOptions.hpp \419 ServerOptions.hpp \420 SignalHandler.hpp \421 SignalOptions.hpp422 423 noinst_LTLIBRARIES += libFragmentationAutomationServer.la424 libFragmentationAutomationServer_la_includedir = $(includedir)/MoleCuilder/JobMarket425 nobase_libFragmentationAutomationServer_la_include_HEADERS = $(SERVERHEADER)426 libFragmentationAutomationServer_la_SOURCES = $(SERVERSOURCE)427 libFragmentationAutomationServer_la_LIBADD = \428 $(top_builddir)/JobMarket/src/JobMarket/libJobMarket.la429 430 377 bin_PROGRAMS += Controller PoolWorker Server 431 378 432 Controller_SOURCES = controller.cpp controller_ main.cpp controller_main.hpp controller_AddOn_MPQCCommandJob.cpp433 Controller_LDFLAGS = $(AM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) 379 Controller_SOURCES = controller.cpp controller_AddOn_MPQCCommandJob.cpp 380 Controller_LDFLAGS = $(AM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) ${CodePatterns_LDFLAGS} 434 381 Controller_CXXFLAGS = $(AM_CPPFLAGS) 435 382 Controller_LDADD = \ 383 libFragmentationAutomationController.la \ 436 384 libMolecuilderJobs.la \ 437 libFragmentationAutomationController.la \438 385 libMolecuilderFragmentation.la \ 439 386 libMolecuilderHelpers.la \ 387 $(top_builddir)/JobMarket/src/JobMarket/libJobMarketController.la \ 440 388 $(top_builddir)/JobMarket/src/JobMarket/libJobMarket.la \ 441 389 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \ 442 $ {CodePatterns_LIBS}\443 $ (BOOST_PROGRAM_OPTIONS_LIBS)444 445 PoolWorker_SOURCES = poolworker.cpp poolworker_main.cpp poolworker_main.hpp446 PoolWorker_LDFLAGS = $(AM_LDFLAGS) $ (BOOST_PROGRAM_OPTIONS_LDFLAGS)390 $(BOOST_PROGRAM_OPTIONS_LIBS) \ 391 ${CodePatterns_LIBS} 392 393 PoolWorker_SOURCES = poolworker.cpp 394 PoolWorker_LDFLAGS = $(AM_LDFLAGS) ${CodePatterns_LDFLAGS} 447 395 PoolWorker_CXXFLAGS = $(AM_CPPFLAGS) 448 396 PoolWorker_LDADD = \ 449 397 libMolecuilderJobs.la \ 450 libFragmentationAutomationPoolWorker.la \398 $(top_builddir)/JobMarket/src/JobMarket/libJobMarketPoolWorker.la \ 451 399 $(top_builddir)/JobMarket/src/JobMarket/libJobMarket.la \ 452 400 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \ 453 ${CodePatterns_LIBS} \ 454 $(BOOST_PROGRAM_OPTIONS_LIBS) 455 456 Server_SOURCES = Server.cpp server_main.cpp server_main.hpp 457 Server_LDFLAGS = $(AM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) 401 ${CodePatterns_LIBS} 402 403 Server_SOURCES = Server.cpp 404 Server_LDFLAGS = $(AM_LDFLAGS) ${CodePatterns_LDFLAGS} 458 405 Server_CXXFLAGS = $(AM_CPPFLAGS) 459 406 Server_LDADD = \ 460 407 libMolecuilderJobs.la \ 461 libFragmentationAutomationServer.la \408 $(top_builddir)/JobMarket/src/JobMarket/libJobMarketServer.la \ 462 409 $(top_builddir)/JobMarket/src/JobMarket/libJobMarket.la \ 463 410 $(top_builddir)/LinearAlgebra/src/LinearAlgebra/libLinearAlgebra.la \ 464 ${CodePatterns_LIBS} \ 465 $(BOOST_PROGRAM_OPTIONS_LIBS) 411 ${CodePatterns_LIBS} 466 412 467 413 -
src/controller.cpp
ra10cc0 r7da5cd 21 21 #include "CodePatterns/MemDebug.hpp" 22 22 23 #include " controller_main.hpp"23 #include "JobMarket/Controller/controller_main.hpp" 24 24 25 25 int main(int argc, char* argv[]) -
src/controller_MPQCCommandJob.cpp
ra10cc0 r7da5cd 29 29 #include <fstream> 30 30 31 #include "FragmentController.hpp" 32 #include "Jobs/MPQCCommandJob.hpp" 33 #include "Results/FragmentResult.hpp" 34 35 #include "ControllerCommand.hpp" 36 #include "ControllerCommandRegistry.hpp" 37 #include "ControllerOptions_MPQCCommandJob.hpp" 31 #include "CodePatterns/Info.hpp" 32 #include "CodePatterns/Log.hpp" 33 34 #include "JobMarket/Controller/ControllerCommand.hpp" 35 #include "JobMarket/Controller/ControllerCommandRegistry.hpp" 36 #include "JobMarket/Controller/FragmentController.hpp" 37 #include "JobMarket/Jobs/FragmentJob.hpp" 38 #include "JobMarket/Results/FragmentResult.hpp" 38 39 39 40 #include "Fragmentation/EnergyMatrix.hpp" … … 47 48 #include "Jobs/MPQCCommandJob_MPQCData.hpp" 48 49 50 #include "ControllerOptions_MPQCCommandJob.hpp" 49 51 50 52 /** Creates a MPQCCommandJob with argument \a filename. -
src/controller_MPQCCommandJob.hpp
ra10cc0 r7da5cd 17 17 #include <boost/program_options.hpp> 18 18 19 #include " controller_AddOn.hpp"19 #include "JobMarket/Controller/controller_AddOn.hpp" 20 20 21 21 class ControllerCommand;
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