Changeset d57341 for src/Actions/MoleculeAction/FillWithMoleculeAction.def

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.

File:

• src/Actions/MoleculeAction/FillWithMoleculeAction.def (modified) (1 diff)

src/Actions/MoleculeAction/FillWithMoleculeAction.def

@@ -13 +13 @@
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
 // "undefine" if no parameters are required
-#define paramtypes (std::string) (Vector) (Vector) (double) (bool)
-#define paramtokens (MoleculeFillWithMoleculeAction::NAME) ("distances") ("lengths") ("MaxDistance") ("DoRotate")
-#define paramdescriptions ("fill around molecules' surface with a filler molecule") ("list of three of distances in space, one for each axis direction") ("list of three of lengths in space, one for each axis direction") ("maximum spatial distance") ("whether to rotate or not")
-#define paramreferences (fillername) (distances) (lengths) (MaxDistance) (DoRotate)
+#define paramtypes (std::string)(Vector)(Vector)(double)(bool)
+#define paramtokens ("fill-molecule")("distances")("lengths")("MaxDistance")("DoRotate")
+#define paramdescriptions ("fill around molecules' surface with a filler molecule")("list of three of distances in space, one for each axis direction")("list of three of lengths in space, one for each axis direction")("maximum spatial distance")("whether to rotate or not")
+#define paramreferences (fillername)(distances)(lengths)(MaxDistance)(DoRotate)
 
 #undef statetypes