Changeset 949953 for src/Makefile.am

Timestamp:

Nov 7, 2011, 12:23:52 PM (14 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:

c20b35

Parents:

071243

git-author:

Frederik Heber <heber@…> (09/26/11 12:59:25)

git-committer:

Frederik Heber <heber@…> (11/07/11 12:23:52)

Message:

pyMoleCuilder now has full functionality.

• For each header file there is a COMMAND_stringargs() function defined.
• boost python module exports all Action's COMMAND_stringargs() that are present in GlobalListOfActions.hpp.
• new source file AllActionPython.hpp is created in Actions/Makefile.am that enlists all the headers.
• New implemenations:
  • Action_impl_python.hpp: defines COMMAND_stringargs() via some boost:: preprocessor magic.
  • Action_impl_undef.hpp: contains undefs to the Action's .def files.
• also docstrings are working, both for module and for each exported function.
• so far, all arguments have a (in NODEFAULT case empty) default value. This is because we cannot perform string comparisons with the preprocessor only numeric ones (i.e. NODEFAULT would have to be 0 or alike).

• Extracted cleanUp() from builder_init.cpp and placed into own module.
• cleanUp() is now also registered atexit() for pyMoleCuilder where it is needed as well.
• AddStaticEntitiestoIgnoreList() has likewise been extracted.

File:

• src/Makefile.am (modified) (3 diffs)

src/Makefile.am

@@ -271 +271 @@
 
 pyexec_LTLIBRARIES += pyMoleCuilder.la
-pyMoleCuilder_la_SOURCES = Actions/pyMoleCuilder.cpp
+pyMoleCuilder_la_SOURCES = \
+        cleanUp.cpp \
+        cleanUp.hpp \
+        Actions/pyMoleCuilder.cpp
 pyMoleCuilder_la_CPPFLAGS = ${BOOST_CPPFLAGS} ${CodePatterns_CFLAGS} -I$(PYTHON_INCLUDE_DIR)
 pyMoleCuilder_la_LDFLAGS = -module -avoid-version -shared
@@ -284 +287 @@
 #molecuilder_CXXFLAGS += -DNO_CACHING
 molecuilder_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_RANDOM_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)
-molecuilder_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
+molecuilder_SOURCES = \
+        builder.cpp \
+        builder_init.cpp \
+        builder_init.hpp \
+        cleanUp.cpp \
+        cleanUp.hpp
 molecuilder_LDADD = \
         libMolecuilderUI.la \
@@ -296 +304 @@
 
 #Stuff for building the GUI using Qt
-molecuildergui_SOURCES = builder.cpp builder_init.cpp builder_init.hpp
+molecuildergui_SOURCES = \
+        builder.cpp \
+        builder_init.cpp \
+        builder_init.hpp \
+        cleanUp.cpp \
+        cleanUp.hpp
 molecuildergui_CXXFLAGS = $(AM_CPPFLAGS) -DUSE_GUI_QT
 molecuildergui_LDFLAGS = $(AM_LDFLAGS) $(BOOST_FILESYSTEM_LDFLAGS) $(BOOST_PROGRAM_OPTIONS_LDFLAGS) $(BOOST_SYSTEM_LDFLAGS) $(BOOST_THREAD_LDFLAGS)