Changeset 24ac59 for src

Timestamp:

May 3, 2013, 9:46:45 AM (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:

f7ce2b

Parents:

931077

git-author:

Frederik Heber <heber@…> (04/09/13 07:43:15)

git-committer:

Frederik Heber <heber@…> (05/03/13 09:46:45)

Message:

Added PotentialTypeValidator.

• checks that user has entered a type name known to PotentialFactory.
• depends on CONDLEVMAR to be compiled in.
• pulls in libMolecuilderPotentials, FunctionApproximation, and levmar's libs if compiled in.

Location:

src

Files:

• Parameters/Makefile.am (modified) (1 diff)
• Parameters/Validators/Specific/PotentialTypeValidator.cpp (added)
• Parameters/Validators/Specific/PotentialTypeValidator.hpp (added)
• UIElements/Makefile.am (modified) (3 diffs)

src/Parameters/Makefile.am

@@ -76 +76 @@
         Parameters/ValueInterface.hpp
 
+if CONDLEVMAR
+PARAMETERSOURCE += \
+        Parameters/Validators/Specific/PotentialTypeValidator.cpp
+PARAMETERHEADER += \
+        Parameters/Validators/Specific/PotentialTypeValidator.hpp
+endif
+
 noinst_LTLIBRARIES += libMolecuilderParameters.la
 libMolecuilderParameters_la_includedir = $(includedir)/MoleCuilder/

src/UIElements/Makefile.am

@@ -226 +226 @@
         $(BOOST_THREAD_LDFLAGS)
 
+if CONDJOBMARKET
+libMolecuilderUI_la_LDFLAGS +=  $(LEVMAR_LDFLAGS)
+endif
+
 # NOTE: ActionPrototypes BEFORE Actions!
 # this is to ensure that static Action prototypes are instantiated after
@@ -249 +253 @@
         libMolecuilderElement.la \
         libMolecuilderRandomNumbers.la
+if CONDLEVMAR
+libMolecuilderUI_la_LIBADD += \
+        libMolecuilderPotentials.la \
+        libMolecuilderFunctionApproximation.la
+endif
 if CONDJOBMARKET
 libMolecuilderUI_la_LIBADD += \
@@ -264 +273 @@
         $(BOOST_SYSTEM_LIBS) \
         $(BOOST_THREAD_LIBS)
+
+if CONDLEVMAR
+libMolecuilderUI_la_LIBADD += \
+        $(LEVMAR_LIBS) \
+        $(LAPACK_LIBS) $(BLAS_LIBS) $(LIBS) $(FLIBS)
+endif
+
 
 nobase_libMolecuilderUI_la_include_HEADERS = ${UIHEADER}