Changeset fc192f for src/Actions/AnalysisAction

Timestamp:

Oct 30, 2010, 7:19:25 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:

052bfd8

Parents:

24fbf3

git-author:

Frederik Heber <heber@…> (10/26/10 12:16:57)

git-committer:

Frederik Heber <heber@…> (10/30/10 19:19:25)

Message:

Added paramdescriptions to the .def of all Actions.

• option descriptions from MapOfActions.
• action description taken for (...::NAME) parameters.
• conversion script is in src/Actions/convert2.sh.

Location:

src/Actions/AnalysisAction

Files:

• MolecularVolumeAction.def (modified) (1 diff)
• PairCorrelationAction.def (modified) (1 diff)
• PointCorrelationAction.def (modified) (1 diff)
• PrincipalAxisSystemAction.def (modified) (2 diffs)
• SurfaceCorrelationAction.def (modified) (1 diff)

src/Actions/AnalysisAction/MolecularVolumeAction.def

@@ -14 +14 @@
 //#define paramreferences (molID)
 //#define paramtokens (NAME)
+#define paramdescriptions ("calculate the volume of a given molecule")
 
 // some defines for all the names, you may use ACTION, STATE and PARAMS

src/Actions/AnalysisAction/PairCorrelationAction.def

@@ -17 +17 @@
 #define paramreferences (elements)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic)
 #define paramtokens ("elements")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic")
+#define paramdescriptions ("set of elements") ("start of the first bin") ("width of the bins") ("start of the last bin") ("name of the output file") ("name of the bin output file") ("system is constraint to periodic boundary conditions")
 
 // some defines for all the names, you may use ACTION, STATE and PARAMS

src/Actions/AnalysisAction/PointCorrelationAction.def

@@ -19 +19 @@
 #define paramreferences (elements)(Point)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic)
 #define paramtokens ("elements")("position")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic")
+#define paramdescriptions ("set of elements") ("position in R^3 space") ("start of the first bin") ("width of the bins") ("start of the last bin") ("name of the output file") ("name of the bin output file") ("system is constraint to periodic boundary conditions")
 
 // some defines for all the names, you may use ACTION, STATE and PARAMS

src/Actions/AnalysisAction/PrincipalAxisSystemAction.def

@@ +1 @@
+#undef paramdescriptions
 /*
  * PrincipalAxisSystemAction.def
@@ -11 +12 @@
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
 // "undefine" if no parameters are required
+#undef paramtypes
+#undef paramreferences
+#undef paramtokens
+#undef paramdescriptions
 
 // some defines for all the names, you may use ACTION, STATE and PARAMS

src/Actions/AnalysisAction/SurfaceCorrelationAction.def

@@ -18 +18 @@
 #define paramreferences (elements)(Boundary)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic)
 #define paramtokens ("elements")("molecule-by-id")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic")
+#define paramdescriptions ("set of elements") ("index of a molecule") ("start of the first bin") ("width of the bins") ("start of the last bin") ("name of the output file") ("name of the bin output file") ("system is constraint to periodic boundary conditions")
 
 // some defines for all the names, you may use ACTION, STATE and PARAMS