Changeset d57341 for src


Ignore:
Timestamp:
Oct 30, 2010, 7:22:34 PM (15 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
Files:
1 added
56 edited

Legend:

Unmodified
Added
Removed

  • src/Actions/AnalysisAction/MolecularVolumeAction.def

    r052bfd8 rd57341  
    1111// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1212// "undefine" if no parameters are required
    13 //#define paramtypes (int)
    14 //#define paramreferences (molID)
    15 //#define paramtokens (NAME)
    16 #define paramdescriptions ("calculate the volume of a given molecule")
     13#undef paramtypes
     14#undef paramreferences
     15#undef paramtokens
     16#undef paramdescriptions
    1717
    1818// some defines for all the names, you may use ACTION, STATE and PARAMS

  • src/Actions/AnalysisAction/PairCorrelationAction.def

    r052bfd8 rd57341  
    1717#define paramreferences (elements)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic)
    1818#define paramtokens ("elements")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic")
    19 #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")
     19#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")
    2020
    2121// some defines for all the names, you may use ACTION, STATE and PARAMS

  • src/Actions/AnalysisAction/PointCorrelationAction.def

    r052bfd8 rd57341  
    1919#define paramreferences (elements)(Point)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic)
    2020#define paramtokens ("elements")("position")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic")
    21 #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")
     21#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")
    2222
    2323// some defines for all the names, you may use ACTION, STATE and PARAMS

  • src/Actions/AnalysisAction/SurfaceCorrelationAction.def

    r052bfd8 rd57341  
    1818#define paramreferences (elements)(Boundary)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic)
    1919#define paramtokens ("elements")("molecule-by-id")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic")
    20 #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")
     20#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")
    2121
    2222// some defines for all the names, you may use ACTION, STATE and PARAMS

  • src/Actions/AtomAction/AddAction.def

    r052bfd8 rd57341  
    1515// "undefine" if no parameters are required
    1616#define paramtypes (const element *)(BoxVector)
    17 #define paramtokens (ACTION::NAME)("position")
    18 #define paramdescriptions ("add atom of specified element") ("position in R^3 space")
     17#define paramtokens ("add-atom")("position")
     18#define paramdescriptions ("add atom of specified element")("position in R^3 space")
    1919#define paramreferences (elemental)(position)
    2020

  • src/Actions/AtomAction/ChangeElementAction.def

    r052bfd8 rd57341  
    1414// "undefine" if no parameters are required
    1515#define paramtypes (const element *)
    16 #define paramtokens (ACTION::NAME)
     16#define paramtokens ("change-element")
    1717#define paramdescriptions ("change the element of an atom")
    1818#define paramreferences (elemental)

  • src/Actions/AtomAction/RotateAroundOriginByAngleAction.def

    r052bfd8 rd57341  
    1212// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1313// "undefine" if no parameters are required
    14 #define paramtypes (double) (Vector)
    15 #define paramtokens (AtomRotateAroundOriginByAngleAction::NAME) ("position")
    16 #define paramdescriptions ("rotate selected atoms by a specific angle around origin") ("position in R^3 space")
    17 #define paramreferences (angle) (Axis)
     14#define paramtypes (double)(Vector)
     15#define paramtokens ("rotate-origin")("position")
     16#define paramdescriptions ("rotate selected atoms by a specific angle around origin")("position in R^3 space")
     17#define paramreferences (angle)(Axis)
    1818
    1919#define statetypes (std::vector<atom*>)
    … …  
    2323#define CATEGORY Atom
    2424#define MENUNAME "atom"
    25 #define MENUPOSITION
     25#define MENUPOSITION 5
    2626#define ACTIONNAME RotateAroundOriginByAngle
    2727#define TOKEN "rotate-origin"

  • src/Actions/AtomAction/TranslateAction.def

    r052bfd8 rd57341  
    1313// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1414// "undefine" if no parameters are required
    15 #define paramtypes (Vector) (bool)
    16 #define paramtokens (AtomTranslateAction::NAME) ("periodic")
    17 #define paramdescriptions ("translate all selected atoms by given vector") ("system is constraint to periodic boundary conditions")
    18 #define paramreferences (x) (periodic)
     15#define paramtypes (Vector)(bool)
     16#define paramtokens ("translate-atoms")("periodic")
     17#define paramdescriptions ("translate all selected atoms by given vector")("system is constraint to periodic boundary conditions")
     18#define paramreferences (x)(periodic)
    1919
    2020#define statetypes (std::vector<atom*>)

  • src/Actions/CommandAction/BondLengthTableAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (CommandBondLengthTableAction::NAME)
     15#define paramtokens ("bond-table")
    1616#define paramdescriptions ("setting name of the bond length table file")
    1717#define paramreferences (BondGraphFileName)

  • src/Actions/CommandAction/ElementDbAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (CommandElementDbAction::NAME)
     15#define paramtokens ("element-db")
    1616#define paramdescriptions ("setting the path where the element databases can be found")
    1717#define paramreferences (databasepath)

  • src/Actions/CommandAction/FastParsingAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (bool)
    15 #define paramtokens (CommandFastParsingAction::NAME)
     15#define paramtokens ("fastparsing")
    1616#define paramdescriptions ("setting whether trajectories shall be parsed completely (n) or just first step (y)")
    1717#define paramreferences (fastparsing)

  • src/Actions/CommandAction/VerboseAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (int)
    15 #define paramtokens (CommandVerboseAction::NAME)
     15#define paramtokens ("verbose")
    1616#define paramdescriptions ("set verbosity level")
    1717#define paramreferences (verbosity)

  • src/Actions/FragmentationAction/DepthFirstSearchAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (double)
    15 #define paramtokens (FragmentationDepthFirstSearchAction::NAME)
     15#define paramtokens ("depth-first-search")
    1616#define paramdescriptions ("Depth-First Search analysis of the molecular system")
    1717#define paramreferences (distance)

  • src/Actions/FragmentationAction/FragmentationAction.def

    r052bfd8 rd57341  
    1212// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1313// "undefine" if no parameters are required
    14 #define paramtypes (std::string) (double) (int)
    15 #define paramtokens (FragmentationFragmentationAction::NAME) ("distance") ("order")
    16 #define paramdescriptions ("create for a given molecule into fragments up to given order") ("distance in space") ("order of a discretization, dissection, ...")
    17 #define paramreferences (path) (distance) (order)
     14#define paramtypes (std::string)(double)(int)
     15#define paramtokens ("fragment-mol")("distance")("order")
     16#define paramdescriptions ("create for a given molecule into fragments up to given order")("distance in space")("order of a discretization, dissection, ...")
     17#define paramreferences (path)(distance)(order)
    1818
    1919#undef statetypes

  • src/Actions/MoleculeAction/BondFileAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (MoleculeBondFileAction::NAME)
     15#define paramtokens ("bond-file")
    1616#define paramdescriptions ("name of the bond file")
    1717#define paramreferences (bondfile)

  • src/Actions/MoleculeAction/ChangeNameAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (MoleculeChangeNameAction::NAME)
     15#define paramtokens ("change-molname")
    1616#define paramdescriptions ("change the name of a molecule")
    1717#define paramreferences (name)

  • src/Actions/MoleculeAction/CopyAction.def

    r052bfd8 rd57341  
    1212// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1313// "undefine" if no parameters are required
    14 #define paramtypes (molecule *) (Vector)
    15 #define paramtokens (MoleculeCopyAction::NAME) ("position")
    16 #define paramdescriptions ("copies a molecule with all atoms and bonds") ("position in R^3 space")
    17 #define paramreferences (mol) (position)
     14#define paramtypes (molecule *)(Vector)
     15#define paramtokens ("copy-molecule")("position")
     16#define paramdescriptions ("copies a molecule with all atoms and bonds")("position in R^3 space")
     17#define paramreferences (mol)(position)
    1818
    1919#define statetypes (molecule *)

  • src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def

    r052bfd8 rd57341  
    1313// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1414// "undefine" if no parameters are required
    15 #define paramtypes (std::string) (Vector) (Vector) (bool)
    16 #define paramtokens (MoleculeFillVoidWithMoleculeAction::NAME) ("distances") ("lengths") ("DoRotate")
    17 #define paramdescriptions ("fill void space of box 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") ("whether to rotate or not")
    18 #define paramreferences (fillername) (distances) (lengths) (DoRotate)
     15#define paramtypes (std::string)(Vector)(Vector)(bool)
     16#define paramtokens ("fill-void")("distances")("lengths")("DoRotate")
     17#define paramdescriptions ("fill void space of box 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")("whether to rotate or not")
     18#define paramreferences (fillername)(distances)(lengths)(DoRotate)
    1919
    2020#undef statetypes

  • src/Actions/MoleculeAction/FillWithMoleculeAction.def

    r052bfd8 rd57341  
    1313// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1414// "undefine" if no parameters are required
    15 #define paramtypes (std::string) (Vector) (Vector) (double) (bool)
    16 #define paramtokens (MoleculeFillWithMoleculeAction::NAME) ("distances") ("lengths") ("MaxDistance") ("DoRotate")
    17 #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")
    18 #define paramreferences (fillername) (distances) (lengths) (MaxDistance) (DoRotate)
     15#define paramtypes (std::string)(Vector)(Vector)(double)(bool)
     16#define paramtokens ("fill-molecule")("distances")("lengths")("MaxDistance")("DoRotate")
     17#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")
     18#define paramreferences (fillername)(distances)(lengths)(MaxDistance)(DoRotate)
    1919
    2020#undef statetypes

  • src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def

    r052bfd8 rd57341  
    1212// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1313// "undefine" if no parameters are required
    14 #define paramtypes (std::string) (int) (int) (bool)
    15 #define paramtokens (MoleculeLinearInterpolationofTrajectoriesAction::NAME) ("start-step") ("end-step") ("id-mapping")
    16 #define paramdescriptions ("linear interpolation in discrete steps between start and end position of a molecule") ("first or start step") ("last or end step") ("whether the identity shall be used in mapping atoms onto atoms or not")
    17 #define paramreferences (filename) (start) (end) (IdMapping)
     14#define paramtypes (std::string)(int)(int)(bool)
     15#define paramtokens ("linear-interpolate")("start-step")("end-step")("id-mapping")
     16#define paramdescriptions ("linear interpolation in discrete steps between start and end position of a molecule")("first or start step")("last or end step")("whether the identity shall be used in mapping atoms onto atoms or not")
     17#define paramreferences (filename)(start)(end)(IdMapping)
    1818
    1919#undef statetypes

  • src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def

    r052bfd8 rd57341  
    1313// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1414// "undefine" if no parameters are required
    15 #define paramtypes (double) (Vector)
    16 #define paramtokens (MoleculeRotateAroundSelfByAngleAction::NAME) ("position")
    17 #define paramdescriptions ("rotates molecules by a specific angle around own center of gravity") ("position in R^3 space")
    18 #define paramreferences (angle) (Axis)
     15#define paramtypes (double)(Vector)
     16#define paramtokens ("rotate-self")("position")
     17#define paramdescriptions ("rotates molecules by a specific angle around own center of gravity")("position in R^3 space")
     18#define paramreferences (angle)(Axis)
    1919
    2020#define statetypes (molecule * const)

  • src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def

    r052bfd8 rd57341  
    1616// "undefine" if no parameters are required
    1717#define paramtypes (Vector)
    18 #define paramtokens (MoleculeRotateToPrincipalAxisSystemAction::NAME)
     18#define paramtokens ("rotate-to-pas")
    1919#define paramdescriptions ("calculate the principal axis system of the specified molecule and rotate specified axis to align with main axis")
    2020#define paramreferences (Axis)

  • src/Actions/MoleculeAction/SaveAdjacencyAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (MoleculeSaveAdjacencyAction::NAME)
     15#define paramtokens ("save-adjacency")
    1616#define paramdescriptions ("name of the adjacency file to write to")
    1717#define paramreferences (adjacencyfile)

  • src/Actions/MoleculeAction/SaveBondsAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (MoleculeSaveBondsAction::NAME)
     15#define paramtokens ("save-bonds")
    1616#define paramdescriptions ("name of the bonds file to write to")
    1717#define paramreferences (bondsfile)

  • src/Actions/MoleculeAction/SaveTemperatureAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (MoleculeSaveTemperatureAction::NAME)
     15#define paramtokens ("save-temperature")
    1616#define paramdescriptions ("name of the temperature file to write to")
    1717#define paramreferences (temperaturefile)

  • src/Actions/MoleculeAction/SuspendInWaterAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (double)
    15 #define paramtokens (MoleculeSuspendInWaterAction::NAME)
     15#define paramtokens ("suspend-in-water")
    1616#define paramdescriptions ("suspend the given molecule in water such that in the domain the mean density is as specified")
    1717#define paramreferences (density)

  • src/Actions/MoleculeAction/VerletIntegrationAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (MoleculeVerletIntegrationAction::NAME)
     15#define paramtokens ("verlet-integrate")
    1616#define paramdescriptions ("perform verlet integration of a given force file")
    1717#define paramreferences (forcesfile)

  • src/Actions/ParserAction/LoadXyzAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (ParserLoadXyzAction::NAME)
     15#define paramtokens ("parse-xyz")
    1616#define paramdescriptions ("parse xyz file into World")
    1717#define paramreferences (filename)

  • src/Actions/ParserAction/SaveXyzAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (ParserSaveXyzAction::NAME)
     15#define paramtokens ("SaveXyz")
    1616#define paramdescriptions ("save world as xyz file")
    1717#define paramreferences (filename)

  • src/Actions/SelectionAction/AllAtomsInsideCuboidAction.def

    r052bfd8 rd57341  
    1414// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1515// "undefine" if no parameters are required
    16 #define paramtypes (Vector) (Vector) (double) (double) (double)
    17 #define paramtokens (SelectionAllAtomsInsideCuboidAction::NAME) ("position") ("angle-x") ("angle-y") ("angle-z")
    18 #define paramdescriptions ("select all atoms inside a cuboid") ("position in R^3 space") ("angle of a rotation around x axis") ("angle of a rotation around y axis") ("angle of a rotation around z axis")
    19 #define paramreferences (extension) (position) (Xangle) (Yangle) (Zangle)
     16#define paramtypes (Vector)(Vector)(double)(double)(double)
     17#define paramtokens ("select-atoms-inside-cuboid")("position")("angle-x")("angle-y")("angle-z")
     18#define paramdescriptions ("select all atoms inside a cuboid")("position in R^3 space")("angle of a rotation around x axis")("angle of a rotation around y axis")("angle of a rotation around z axis")
     19#define paramreferences (extension)(position)(Xangle)(Yangle)(Zangle)
    2020
    2121#define statetypes (std::vector<atom*>)

  • src/Actions/SelectionAction/AllAtomsInsideSphereAction.def

    r052bfd8 rd57341  
    1212// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1313// "undefine" if no parameters are required
    14 #define paramtypes (double) (Vector)
    15 #define paramtokens (SelectionAllAtomsInsideSphereAction::NAME) ("position")
    16 #define paramdescriptions ("select all atoms inside a sphere") ("position in R^3 space")
    17 #define paramreferences (radius) (position)
     14#define paramtypes (double)(Vector)
     15#define paramtokens ("select-atoms-inside-sphere")("position")
     16#define paramdescriptions ("select all atoms inside a sphere")("position in R^3 space")
     17#define paramreferences (radius)(position)
    1818
    1919#define statetypes (std::vector<atom*>)

  • src/Actions/SelectionAction/AllAtomsOfMoleculeAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (molecule *)
    15 #define paramtokens (SelectionAllAtomsOfMoleculeAction::NAME)
     15#define paramtokens ("select-molecules-atoms")
    1616#define paramdescriptions ("select all atoms of a molecule")
    1717#define paramreferences (mol)

  • src/Actions/SelectionAction/AtomByElementAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (const element*)
    15 #define paramtokens (SelectionAtomByElementAction::NAME)
     15#define paramtokens ("select-atom-by-element")
    1616#define paramdescriptions ("select an atom by element")
    1717#define paramreferences (elemental)

  • src/Actions/SelectionAction/AtomByIdAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (atom*)
    15 #define paramtokens (SelectionAtomByIdAction::NAME)
     15#define paramtokens ("select-atom-by-id")
    1616#define paramdescriptions ("select an atom by index")
    1717#define paramreferences (Walker)

  • src/Actions/SelectionAction/MoleculeByFormulaAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (SelectionMoleculeByFormulaAction::NAME)
     15#define paramtokens ("select-molecule-by-formula")
    1616#define paramdescriptions ("select a molecule by chemical formula")
    1717#define paramreferences (formula)

  • src/Actions/SelectionAction/MoleculeByIdAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (molecule*)
    15 #define paramtokens (SelectionMoleculeByIdAction::NAME)
     15#define paramtokens ("select-molecule-by-id")
    1616#define paramdescriptions ("select a molecule by index")
    1717#define paramreferences (mol)

  • src/Actions/SelectionAction/MoleculeOfAtomAction.def

    r052bfd8 rd57341  
    1212// "undefine" if no parameters are required
    1313#define paramtypes (atom*)
    14 #define paramtokens (SelectionMoleculeOfAtomAction::NAME)
     14#define paramtokens ("select-molecule-of-atom")
    1515#define paramdescriptions ("select a molecule to which a given atom belongs")
    1616#define paramreferences (Walker)

  • src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.def

    r052bfd8 rd57341  
    1414// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1515// "undefine" if no parameters are required
    16 #define paramtypes (Vector) (Vector) (double) (double) (double)
    17 #define paramtokens (SelectionNotAllAtomsInsideCuboidAction::NAME) ("position") ("angle-x") ("angle-y") ("angle-z")
    18 #define paramdescriptions ("unselect all atoms inside a cuboid") ("position in R^3 space") ("angle of a rotation around x axis") ("angle of a rotation around y axis") ("angle of a rotation around z axis")
    19 #define paramreferences (extension) (position) (Xangle) (Yangle) (Zangle)
     16#define paramtypes (Vector)(Vector)(double)(double)(double)
     17#define paramtokens ("unselect-atoms-inside-cuboid")("position")("angle-x")("angle-y")("angle-z")
     18#define paramdescriptions ("unselect all atoms inside a cuboid")("position in R^3 space")("angle of a rotation around x axis")("angle of a rotation around y axis")("angle of a rotation around z axis")
     19#define paramreferences (extension)(position)(Xangle)(Yangle)(Zangle)
    2020
    2121#define statetypes (std::vector<atom*>)

  • src/Actions/SelectionAction/NotAllAtomsInsideSphereAction.def

    r052bfd8 rd57341  
    1212// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1313// "undefine" if no parameters are required
    14 #define paramtypes (double) (Vector)
    15 #define paramtokens (SelectionNotAllAtomsInsideSphereAction::NAME) ("position")
    16 #define paramdescriptions ("unselect all atoms inside a sphere") ("position in R^3 space")
    17 #define paramreferences (radius) (position)
     14#define paramtypes (double)(Vector)
     15#define paramtokens ("unselect-atoms-inside-sphere")("position")
     16#define paramdescriptions ("unselect all atoms inside a sphere")("position in R^3 space")
     17#define paramreferences (radius)(position)
    1818
    1919#define statetypes (std::vector<atom*>)

  • src/Actions/SelectionAction/NotAllAtomsOfMoleculeAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (molecule*)
    15 #define paramtokens (SelectionNotAllAtomsOfMoleculeAction::NAME)
     15#define paramtokens ("unselect-molecules-atoms")
    1616#define paramdescriptions ("unselect all atoms of a molecule")
    1717#define paramreferences (mol)

  • src/Actions/SelectionAction/NotAtomByElementAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (const element*)
    15 #define paramtokens (SelectionNotAtomByElementAction::NAME)
     15#define paramtokens ("unselect-atom-by-element")
    1616#define paramdescriptions ("unselect an atom by element")
    1717#define paramreferences (elemental)

  • src/Actions/SelectionAction/NotAtomByIdAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (atom*)
    15 #define paramtokens (SelectionNotAtomByIdAction::NAME)
     15#define paramtokens ("unselect-atom-by-id")
    1616#define paramdescriptions ("unselect an atom by index")
    1717#define paramreferences (Walker)

  • src/Actions/SelectionAction/NotMoleculeByFormulaAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (SelectionNotMoleculeByFormulaAction::NAME)
     15#define paramtokens ("unselect-molecule-by-formula")
    1616#define paramdescriptions ("unselect a molecule by chemical formula")
    1717#define paramreferences (formula)

  • src/Actions/SelectionAction/NotMoleculeByIdAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (molecule*)
    15 #define paramtokens (SelectionNotMoleculeByIdAction::NAME)
     15#define paramtokens ("unselect-molecule-by-id")
    1616#define paramdescriptions ("unselect a molecule by index")
    1717#define paramreferences (mol)

  • src/Actions/SelectionAction/NotMoleculeOfAtomAction.def

    r052bfd8 rd57341  
    1212// "undefine" if no parameters are required
    1313#define paramtypes (atom*)
    14 #define paramtokens (SelectionNotMoleculeOfAtomAction::NAME)
     14#define paramtokens ("unselect-molecule-of-atom")
    1515#define paramdescriptions ("unselect a molecule to which a given atom belongs")
    1616#define paramreferences (Walker)

  • src/Actions/TesselationAction/ConvexEnvelopeAction.def

    r052bfd8 rd57341  
    1212// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1313// "undefine" if no parameters are required
    14 #define paramtypes (std::string) (std::string)
    15 #define paramtokens ("convex-file") ("nonconvex-file")
    16 #define paramdescriptions ("filename of the non-convex envelope") ("filename of the non-convex envelope")
    17 #define paramreferences (filenameConvex) (filenameNonConvex)
     14#define paramtypes (std::string)(std::string)
     15#define paramtokens ("convex-file")("nonconvex-file")
     16#define paramdescriptions ("filename of the non-convex envelope")("filename of the non-convex envelope")
     17#define paramreferences (filenameConvex)(filenameNonConvex)
    1818
    1919#undef statetypes

  • src/Actions/TesselationAction/NonConvexEnvelopeAction.def

    r052bfd8 rd57341  
    1212// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    1313// "undefine" if no parameters are required
    14 #define paramtypes (double) (std::string)
    15 #define paramtokens (TesselationNonConvexEnvelopeAction::NAME) ("nonconvex-file")
    16 #define paramdescriptions ("create the non-convex envelope for a molecule") ("filename of the non-convex envelope")
    17 #define paramreferences (SphereRadius) (filename)
     14#define paramtypes (double)(std::string)
     15#define paramtokens ("nonconvex-envelope")("nonconvex-file")
     16#define paramdescriptions ("create the non-convex envelope for a molecule")("filename of the non-convex envelope")
     17#define paramreferences (SphereRadius)(filename)
    1818
    1919#undef statetypes

  • src/Actions/WorldAction/AddEmptyBoundaryAction.def

    r052bfd8 rd57341  
    1414// "undefine" if no parameters are required
    1515#define paramtypes (Vector)
    16 #define paramtokens (WorldAddEmptyBoundaryAction::NAME)
     16#define paramtokens ("boundary")
    1717#define paramdescriptions ("change box to add an empty boundary around all atoms")
    1818#define paramreferences (boundary)

  • src/Actions/WorldAction/CenterInBoxAction.def

    r052bfd8 rd57341  
    1414// "undefine" if no parameters are required
    1515#define paramtypes (Box)
    16 #define paramtokens (WorldCenterInBoxAction::NAME)
     16#define paramtokens ("center-in-box")
    1717#define paramdescriptions ("center all atoms in the domain")
    1818#define paramreferences (cell_size)

  • src/Actions/WorldAction/ChangeBoxAction.def

    r052bfd8 rd57341  
    1414// "undefine" if no parameters are required
    1515#define paramtypes (Box)
    16 #define paramtokens (WorldChangeBoxAction::NAME)
     16#define paramtokens ("change-box")
    1717#define paramdescriptions ("change the symmetrc matrix of the simulation domain")
    1818#define paramreferences (cell_size)

  • src/Actions/WorldAction/InputAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (boost::filesystem::path)
    15 #define paramtokens (WorldInputAction::NAME)
     15#define paramtokens ("input")
    1616#define paramdescriptions ("specify input files")
    1717#define paramreferences (filename)

  • src/Actions/WorldAction/RepeatBoxAction.def

    r052bfd8 rd57341  
    1414// "undefine" if no parameters are required
    1515#define paramtypes (Vector)
    16 #define paramtokens (WorldRepeatBoxAction::NAME)
     16#define paramtokens ("repeat-box")
    1717#define paramdescriptions ("create periodic copies of the simulation box per axis")
    1818#define paramreferences (Repeater)

  • src/Actions/WorldAction/ScaleBoxAction.def

    r052bfd8 rd57341  
    1414// "undefine" if no parameters are required
    1515#define paramtypes (Vector)
    16 #define paramtokens (WorldScaleBoxAction::NAME)
     16#define paramtokens ("scale-box")
    1717#define paramdescriptions ("scale box and atomic positions inside")
    1818#define paramreferences (Scaler)

  • src/Actions/WorldAction/SetDefaultNameAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (WorldSetDefaultNameAction::NAME)
     15#define paramtokens ("default-molname")
    1616#define paramdescriptions ("set the default name of new molecules")
    1717#define paramreferences (newname)

  • src/Actions/WorldAction/SetGaussianBasisAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (std::string)
    15 #define paramtokens (WorldSetGaussianBasisAction::NAME)
     15#define paramtokens ("set-basis")
    1616#define paramdescriptions ("set the name of the gaussian basis set for MPQC")
    1717#define paramreferences (newname)

  • src/Actions/WorldAction/SetOutputFormatsAction.def

    r052bfd8 rd57341  
    1313// "undefine" if no parameters are required
    1414#define paramtypes (vector<std::string>)
    15 #define paramtokens (WorldSetOutputFormatsAction::NAME)
     15#define paramtokens ("set-output")
    1616#define paramdescriptions ("specify output formats")
    1717#define paramreferences (FormatList)
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