Changeset d57341 for src/Actions/AnalysisAction

Timestamp:

Oct 30, 2010, 7:22:34 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:

8bcf3f

Parents:

052bfd8

git-author:

Frederik Heber <heber@…> (10/26/10 13:56:46)

git-committer:

Frederik Heber <heber@…> (10/30/10 19:22:34)

Message:

Replaced ACTION::NAME in .def files by contents DESCRPTION.

• in ActionTrait constructor we cannot access Action (i.e. NAME)
• also, this is inconsistent and errorprone
  • ACTION::NAME has to be remembered as the shortform for an Action beloning to the action
  • ACTION may be spelled out and thus also mis-spelled.
• conversion script contained in src/Actions/convert4.sh.

Location:

src/Actions/AnalysisAction

Files:

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

src/Actions/AnalysisAction/MolecularVolumeAction.def

@@ -11 +11 @@
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
 // "undefine" if no parameters are required
-//#define paramtypes (int)
-//#define paramreferences (molID)
-//#define paramtokens (NAME)
-#define paramdescriptions ("calculate the volume of a given molecule")
+#undef paramtypes
+#undef paramreferences
+#undef paramtokens
+#undef paramdescriptions
 
 // 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")
+#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")
+#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/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")
+#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