Changeset 24fbf3 for src

Timestamp:

Oct 30, 2010, 6:44:29 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:

fc192f

Parents:

2a6a2c

git-author:

Frederik Heber <heber@…> (10/26/10 10:43:36)

git-committer:

Frederik Heber <heber@…> (10/30/10 18:44:29)

Message:

All specialization of ActionTraits now contain specific information.

• new defines in Action_impl_header.hpp: DEFAULTVALUE, DESCRiPTION, SHORTFORM, TYPEINFO.
• i.e. removed the MapOfActions' short-wiring.
• script used for extraction is in src/Actions/convert.sh.
• we cause a compilation error if DESCRIPTION or TYPEINFO are missing.
• FIX: added some typeinfos as void where missing.

Location:

src/Actions

Files:

• Action_impl_header.hpp (modified) (1 diff)
• AnalysisAction/MolecularVolumeAction.def (modified) (1 diff)
• AnalysisAction/PairCorrelationAction.def (modified) (1 diff)
• AnalysisAction/PointCorrelationAction.def (modified) (1 diff)
• AnalysisAction/PrincipalAxisSystemAction.def (modified) (1 diff)
• AnalysisAction/SurfaceCorrelationAction.def (modified) (1 diff)
• AtomAction/AddAction.def (modified) (1 diff)
• AtomAction/ChangeElementAction.def (modified) (1 diff)
• AtomAction/Remove.def (modified) (1 diff)
• AtomAction/RemoveAction.def (modified) (1 diff)
• AtomAction/RotateAroundOriginByAngleAction.def (modified) (1 diff)
• AtomAction/TranslateAction.def (modified) (2 diffs)
• CommandAction/BondLengthTableAction.def (modified) (1 diff)
• CommandAction/ElementDbAction.def (modified) (1 diff)
• CommandAction/FastParsingAction.def (modified) (1 diff)
• CommandAction/HelpAction.def (modified) (1 diff)
• CommandAction/VerboseAction.def (modified) (1 diff)
• CommandAction/VersionAction.def (modified) (1 diff)
• CommandAction/WarrantyAction.def (modified) (1 diff)
• FragmentationAction/ConstructBondGraphAction.def (modified) (1 diff)
• FragmentationAction/DepthFirstSearchAction.def (modified) (1 diff)
• FragmentationAction/FragmentationAction.def (modified) (1 diff)
• FragmentationAction/SubgraphDissectionAction.def (modified) (1 diff)
• MoleculeAction/BondFileAction.def (modified) (1 diff)
• MoleculeAction/ChangeNameAction.def (modified) (1 diff)
• MoleculeAction/CopyAction.def (modified) (1 diff)
• MoleculeAction/FillVoidWithMoleculeAction.def (modified) (1 diff)
• MoleculeAction/FillWithMoleculeAction.def (modified) (1 diff)
• MoleculeAction/LinearInterpolationofTrajectoriesAction.def (modified) (1 diff)
• MoleculeAction/RotateAroundSelfByAngleAction.def (modified) (1 diff)
• MoleculeAction/RotateToPrincipalAxisSystemAction.def (modified) (2 diffs)
• MoleculeAction/SaveAdjacencyAction.def (modified) (1 diff)
• MoleculeAction/SaveBondsAction.def (modified) (1 diff)
• MoleculeAction/SaveTemperatureAction.def (modified) (1 diff)
• MoleculeAction/SuspendInWaterAction.def (modified) (1 diff)
• MoleculeAction/VerletIntegrationAction.def (modified) (1 diff)
• ParserAction/LoadXyzAction.def (modified) (1 diff)
• ParserAction/SaveXyzAction.def (modified) (1 diff)
• SelectionAction/AllAtomsAction.def (modified) (1 diff)
• SelectionAction/AllAtomsInsideCuboidAction.def (modified) (2 diffs)
• SelectionAction/AllAtomsInsideSphereAction.def (modified) (1 diff)
• SelectionAction/AllAtomsOfMoleculeAction.def (modified) (1 diff)
• SelectionAction/AllMoleculesAction.def (modified) (1 diff)
• SelectionAction/AtomByElementAction.def (modified) (1 diff)
• SelectionAction/AtomByIdAction.def (modified) (1 diff)
• SelectionAction/ClearAllAtomsAction.def (modified) (1 diff)
• SelectionAction/ClearAllMoleculesAction.def (modified) (1 diff)
• SelectionAction/MoleculeByFormulaAction.def (modified) (1 diff)
• SelectionAction/MoleculeByIdAction.def (modified) (1 diff)
• SelectionAction/MoleculeOfAtomAction.def (modified) (1 diff)
• SelectionAction/NotAllAtomsAction.def (modified) (1 diff)
• SelectionAction/NotAllAtomsInsideCuboidAction.def (modified) (2 diffs)
• SelectionAction/NotAllAtomsInsideSphereAction.def (modified) (1 diff)
• SelectionAction/NotAllAtomsOfMoleculeAction.def (modified) (1 diff)
• SelectionAction/NotAllMoleculesAction.def (modified) (1 diff)
• SelectionAction/NotAtomByElementAction.def (modified) (1 diff)
• SelectionAction/NotAtomByIdAction.def (modified) (1 diff)
• SelectionAction/NotMoleculeByFormulaAction.def (modified) (1 diff)
• SelectionAction/NotMoleculeByIdAction.def (modified) (1 diff)
• SelectionAction/NotMoleculeOfAtomAction.def (modified) (1 diff)
• TesselationAction/ConvexEnvelopeAction.def (modified) (1 diff)
• TesselationAction/NonConvexEnvelopeAction.def (modified) (1 diff)
• WorldAction/AddEmptyBoundaryAction.def (modified) (2 diffs)
• WorldAction/BoundInBoxAction.def (modified) (1 diff)
• WorldAction/CenterInBoxAction.def (modified) (2 diffs)
• WorldAction/CenterOnEdgeAction.def (modified) (1 diff)
• WorldAction/ChangeBoxAction.def (modified) (2 diffs)
• WorldAction/InputAction.def (modified) (1 diff)
• WorldAction/OutputAction.def (modified) (1 diff)
• WorldAction/RepeatBoxAction.def (modified) (2 diffs)
• WorldAction/ScaleBoxAction.def (modified) (2 diffs)
• WorldAction/SetDefaultNameAction.def (modified) (1 diff)
• WorldAction/SetGaussianBasisAction.def (modified) (1 diff)
• WorldAction/SetOutputFormatsAction.def (modified) (1 diff)
• convert.sh (added)

src/Actions/Action_impl_header.hpp

@@ -84 +84 @@
   ActionTrait()
   {
-    CurrentValue = ValueStorage::getInstance().getCurrentValue(TOKEN);
-    Description = ValueStorage::getInstance().getDescription(TOKEN);
-    ShortForm = ValueStorage::getInstance().getShortForm(TOKEN);
-    InternalType = ValueStorage::getInstance().getType(TOKEN);
+#ifdef DEFAULTVALUE
+    CurrentValue = DEFAULTVALUE;
+#endif
+#ifdef DESCRIPTION
+    Description = DESCRIPTION;
+#else
+    BOOST_PP_ASSERT_MSG(0, \
+        "ERROR: Description is mandatory for Actions, here for ACTION " \
+    )
+#endif
+#ifdef SHORTFORM
+    ShortForm = SHORTFORM;
+#endif
+#ifdef TYPEINFO
+    InternalType = TYPEINFO;
+#else
+    BOOST_PP_ASSERT_MSG(0, \
+        "ERROR: Type is mandatory for Actions, here for ACTION " \
+    )
+#endif
   }
 

src/Actions/AnalysisAction/MolecularVolumeAction.def

@@ -20 +20 @@
 #define TOKEN "molecular-volume"
 
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "calculate the volume of a given molecule"
+#undef SHORTFORM
+#define TYPEINFO &typeid(molecule)

src/Actions/AnalysisAction/PairCorrelationAction.def

@@ -22 +22 @@
 #define ACTIONNAME PairCorrelation
 #define TOKEN "pair-correlation"
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "pair correlation analysis between two elements"
+#define SHORTFORM "C"
+#define TYPEINFO &typeid(void)

src/Actions/AnalysisAction/PointCorrelationAction.def

@@ -24 +24 @@
 #define ACTIONNAME PointCorrelation
 #define TOKEN "point-correlation"
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "pair correlation analysis between element and point"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/AnalysisAction/PrincipalAxisSystemAction.def

@@ -16 +16 @@
 #define ACTIONNAME PrincipalAxisSystem
 #define TOKEN "principal-axis-system"
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "calculate the principal axis system of the specified molecule"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/AnalysisAction/SurfaceCorrelationAction.def

@@ -23 +23 @@
 #define ACTIONNAME SurfaceCorrelation
 #define TOKEN "surface-correlation"
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "pair correlation analysis between element and surface"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/AtomAction/AddAction.def

@@ -25 +25 @@
 #define ACTIONNAME Add
 #define TOKEN "add-atom"
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "add atom of specified element"
+#define SHORTFORM "a"
+#define TYPEINFO &typeid(const element)

src/Actions/AtomAction/ChangeElementAction.def

@@ -24 +24 @@
 #define ACTIONNAME ChangeElement
 #define TOKEN "change-element"
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "change the element of an atom"
+#define SHORTFORM "E"
+#define TYPEINFO &typeid(const element)

src/Actions/AtomAction/Remove.def

@@ -26 +26 @@
 
 EOF;
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#undef DESCRIPTION
+#undef SHORTFORM
+#undef TYPEINFO

src/Actions/AtomAction/RemoveAction.def

@@ -24 +24 @@
 #define TOKEN "remove-atom"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "remove a specified atom"
+#define SHORTFORM "r"
+#define TYPEINFO &typeid(void)

src/Actions/AtomAction/RotateAroundOriginByAngleAction.def

@@ -24 +24 @@
 #define TOKEN "rotate-origin"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "rotate selected atoms by a specific angle around origin"
+#undef SHORTFORM
+#define TYPEINFO &typeid(double)

src/Actions/AtomAction/TranslateAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
 #include "LinearAlgebra/Vector.hpp"
 
@@ -24 +25 @@
 #define TOKEN "translate-atoms"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "translate all selected atoms by given vector"
+#define SHORTFORM "t"
+#define TYPEINFO &typeid(VectorValue)

src/Actions/CommandAction/BondLengthTableAction.def

@@ -24 +24 @@
 #define TOKEN "bond-table"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "setting name of the bond length table file"
+#define SHORTFORM "g"
+#define TYPEINFO &typeid(std::string)

src/Actions/CommandAction/ElementDbAction.def

@@ -24 +24 @@
 #define TOKEN "element-db"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "setting the path where the element databases can be found"
+#define SHORTFORM "e"
+#define TYPEINFO &typeid(std::string)

src/Actions/CommandAction/FastParsingAction.def

@@ -24 +24 @@
 #define TOKEN "fastparsing"
 
+
+// finally the information stored in the ActionTrait specialization
+#define DEFAULTVALUE "0"
+#define DESCRIPTION "setting whether trajectories shall be parsed completely (n) or just first step (y)"
+#define SHORTFORM "n"
+#define TYPEINFO &typeid(bool)

src/Actions/CommandAction/HelpAction.def

@@ -24 +24 @@
 #define TOKEN "help"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "help screen"
+#define SHORTFORM "h"
+#define TYPEINFO &typeid(void)

src/Actions/CommandAction/VerboseAction.def

@@ -24 +24 @@
 #define TOKEN "verbose"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "set verbosity level"
+#define SHORTFORM "v"
+#define TYPEINFO &typeid(int)

src/Actions/CommandAction/VersionAction.def

@@ -24 +24 @@
 #define TOKEN "version"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "show version"
+#define SHORTFORM "V"
+#define TYPEINFO &typeid(void)

src/Actions/CommandAction/WarrantyAction.def

@@ -23 +23 @@
 #define TOKEN "warranty"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "statement concerning warranty of the software"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/FragmentationAction/ConstructBondGraphAction.def

@@ -24 +24 @@
 #define TOKEN "construct-bondgraph"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "construct the bond graph of the selected atoms"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/FragmentationAction/DepthFirstSearchAction.def

@@ -24 +24 @@
 #define TOKEN "depth-first-search"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "Depth-First Search analysis of the molecular system"
+#define SHORTFORM "D"
+#define TYPEINFO &typeid(double)

src/Actions/FragmentationAction/FragmentationAction.def

@@ -24 +24 @@
 #define TOKEN "fragment-mol"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "create for a given molecule into fragments up to given order"
+#define SHORTFORM "f"
+#define TYPEINFO &typeid(std::string)

src/Actions/FragmentationAction/SubgraphDissectionAction.def

@@ -24 +24 @@
 #define TOKEN "subgraph-dissect"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "dissect the molecular system into molecules representing disconnected subgraphs"
+#define SHORTFORM "I"
+#define TYPEINFO &typeid(void)

src/Actions/MoleculeAction/BondFileAction.def

@@ -24 +24 @@
 #define TOKEN "bond-file"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "name of the bond file"
+#define SHORTFORM "A"
+#define TYPEINFO &typeid(std::string)

src/Actions/MoleculeAction/ChangeNameAction.def

@@ -24 +24 @@
 #define TOKEN "change-molname"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "change the name of a molecule"
+#undef SHORTFORM
+#define TYPEINFO &typeid(std::string)

src/Actions/MoleculeAction/CopyAction.def

@@ -24 +24 @@
 #define TOKEN "copy-molecule"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "copies a molecule with all atoms and bonds"
+#undef SHORTFORM
+#define TYPEINFO &typeid(molecule)

src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def

@@ -25 +25 @@
 #define TOKEN "fill-void"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "fill void space of box with a filler molecule"
+#undef SHORTFORM
+#define TYPEINFO &typeid(std::string)

src/Actions/MoleculeAction/FillWithMoleculeAction.def

@@ -25 +25 @@
 #define TOKEN "fill-molecule"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "fill around molecules' surface with a filler molecule"
+#define SHORTFORM "F"
+#define TYPEINFO &typeid(std::string)

src/Actions/MoleculeAction/LinearInterpolationofTrajectoriesAction.def

@@ -24 +24 @@
 #define TOKEN "linear-interpolate"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "linear interpolation in discrete steps between start and end position of a molecule"
+#define SHORTFORM "L"
+#define TYPEINFO &typeid(std::string)

src/Actions/MoleculeAction/RotateAroundSelfByAngleAction.def

@@ -25 +25 @@
 #define TOKEN "rotate-self"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "rotates molecules by a specific angle around own center of gravity"
+#undef SHORTFORM
+#define TYPEINFO &typeid(double)

src/Actions/MoleculeAction/RotateToPrincipalAxisSystemAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
 #include "LinearAlgebra/Vector.hpp"
+
 class MoleculeListClass;
 
@@ -25 +27 @@
 #define TOKEN "rotate-to-pas"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "calculate the principal axis system of the specified molecule and rotate specified axis to align with main axis"
+#define SHORTFORM "m"
+#define TYPEINFO &typeid(VectorValue)

src/Actions/MoleculeAction/SaveAdjacencyAction.def

@@ -24 +24 @@
 #define TOKEN "save-adjacency"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "name of the adjacency file to write to"
+#define SHORTFORM "J"
+#define TYPEINFO &typeid(std::string)

src/Actions/MoleculeAction/SaveBondsAction.def

@@ -24 +24 @@
 #define TOKEN "save-bonds"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "name of the bonds file to write to"
+#define SHORTFORM "j"
+#define TYPEINFO &typeid(std::string)

src/Actions/MoleculeAction/SaveTemperatureAction.def

@@ -24 +24 @@
 #define TOKEN "save-temperature"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "name of the temperature file to write to"
+#define SHORTFORM "S"
+#define TYPEINFO &typeid(std::string)

src/Actions/MoleculeAction/SuspendInWaterAction.def

@@ -24 +24 @@
 #define TOKEN "suspend-in-water"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "suspend the given molecule in water such that in the domain the mean density is as specified"
+#define SHORTFORM "u"
+#define TYPEINFO &typeid(double)

src/Actions/MoleculeAction/VerletIntegrationAction.def

@@ -24 +24 @@
 #define TOKEN "verlet-integrate"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "perform verlet integration of a given force file"
+#define SHORTFORM "P"
+#define TYPEINFO &typeid(std::string)

src/Actions/ParserAction/LoadXyzAction.def

@@ -24 +24 @@
 #define TOKEN "parse-xyz"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "parse xyz file into World"
+#define SHORTFORM "p"
+#define TYPEINFO &typeid(std::string)

src/Actions/ParserAction/SaveXyzAction.def

@@ -24 +24 @@
 #define TOKEN "SaveXyz"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "save world as xyz file"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/SelectionAction/AllAtomsAction.def

@@ -24 +24 @@
 #define TOKEN "select-all-atoms"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "select all atoms"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/SelectionAction/AllAtomsInsideCuboidAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
+
 class Vector;
 
@@ -24 +26 @@
 #define TOKEN "select-atoms-inside-cuboid"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "select all atoms inside a cuboid"
+#undef SHORTFORM
+#define TYPEINFO &typeid(VectorValue)

src/Actions/SelectionAction/AllAtomsInsideSphereAction.def

@@ -24 +24 @@
 #define TOKEN "select-atoms-inside-sphere"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "select all atoms inside a sphere"
+#undef SHORTFORM
+#define TYPEINFO &typeid(double)

src/Actions/SelectionAction/AllAtomsOfMoleculeAction.def

@@ -24 +24 @@
 #define TOKEN "select-molecules-atoms"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "select all atoms of a molecule"
+#undef SHORTFORM
+#define TYPEINFO &typeid(molecule)

src/Actions/SelectionAction/AllMoleculesAction.def

@@ -23 +23 @@
 #define TOKEN "select-all-molecules"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "select all molecules"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/SelectionAction/AtomByElementAction.def

@@ -24 +24 @@
 #define TOKEN "select-atom-by-element"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "select an atom by element"
+#undef SHORTFORM
+#define TYPEINFO &typeid(const element)

src/Actions/SelectionAction/AtomByIdAction.def

@@ -24 +24 @@
 #define TOKEN "select-atom-by-id"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "select an atom by index"
+#undef SHORTFORM
+#define TYPEINFO &typeid(atom)

src/Actions/SelectionAction/ClearAllAtomsAction.def

@@ -23 +23 @@
 #define TOKEN "clear-atom-selection"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "clear the atom selection"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/SelectionAction/ClearAllMoleculesAction.def

@@ -23 +23 @@
 #define TOKEN "clear-molecule-selection"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "clear the molecule selection"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/SelectionAction/MoleculeByFormulaAction.def

@@ -24 +24 @@
 #define TOKEN "select-molecule-by-formula"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "select a molecule by chemical formula"
+#undef SHORTFORM
+#define TYPEINFO &typeid(std::string)

src/Actions/SelectionAction/MoleculeByIdAction.def

@@ -24 +24 @@
 #define TOKEN "select-molecule-by-id"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "select a molecule by index"
+#undef SHORTFORM
+#define TYPEINFO &typeid(molecule)

src/Actions/SelectionAction/MoleculeOfAtomAction.def

@@ -23 +23 @@
 #define TOKEN "select-molecule-of-atom"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "select a molecule to which a given atom belongs"
+#undef SHORTFORM
+#define TYPEINFO &typeid(atom)

src/Actions/SelectionAction/NotAllAtomsAction.def

@@ -24 +24 @@
 #define TOKEN "unselect-all-atoms"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "unselect all atoms"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
+
 class Vector;
 
@@ -24 +26 @@
 #define TOKEN "unselect-atoms-inside-cuboid"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "unselect all atoms inside a cuboid"
+#undef SHORTFORM
+#define TYPEINFO &typeid(VectorValue)

src/Actions/SelectionAction/NotAllAtomsInsideSphereAction.def

@@ -24 +24 @@
 #define TOKEN "unselect-atoms-inside-sphere"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "unselect all atoms inside a sphere"
+#undef SHORTFORM
+#define TYPEINFO &typeid(double)

src/Actions/SelectionAction/NotAllAtomsOfMoleculeAction.def

@@ -24 +24 @@
 #define TOKEN "unselect-molecules-atoms"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "unselect all atoms of a molecule"
+#undef SHORTFORM
+#define TYPEINFO &typeid(molecule)

src/Actions/SelectionAction/NotAllMoleculesAction.def

@@ -23 +23 @@
 #define TOKEN "unselect-all-molecules"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "unselect all molecules"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/SelectionAction/NotAtomByElementAction.def

@@ -24 +24 @@
 #define TOKEN "unselect-atom-by-element"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "unselect an atom by element"
+#undef SHORTFORM
+#define TYPEINFO &typeid(const element)

src/Actions/SelectionAction/NotAtomByIdAction.def

@@ -24 +24 @@
 #define TOKEN "unselect-atom-by-id"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "unselect an atom by index"
+#undef SHORTFORM
+#define TYPEINFO &typeid(atom)

src/Actions/SelectionAction/NotMoleculeByFormulaAction.def

@@ -24 +24 @@
 #define TOKEN "unselect-molecule-by-formula"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "unselect a molecule by chemical formula"
+#undef SHORTFORM
+#define TYPEINFO &typeid(std::string)

src/Actions/SelectionAction/NotMoleculeByIdAction.def

@@ -24 +24 @@
 #define TOKEN "unselect-molecule-by-id"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "unselect a molecule by index"
+#undef SHORTFORM
+#define TYPEINFO &typeid(molecule)

src/Actions/SelectionAction/NotMoleculeOfAtomAction.def

@@ -23 +23 @@
 #define TOKEN "unselect-molecule-of-atom"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "unselect a molecule to which a given atom belongs"
+#undef SHORTFORM
+#define TYPEINFO &typeid(atom)

src/Actions/TesselationAction/ConvexEnvelopeAction.def

@@ -24 +24 @@
 #define TOKEN "convex-envelope"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "create the convex envelope for a molecule"
+#define SHORTFORM "x"
+#define TYPEINFO &typeid(void)

src/Actions/TesselationAction/NonConvexEnvelopeAction.def

@@ -24 +24 @@
 #define TOKEN "nonconvex-envelope"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "create the non-convex envelope for a molecule"
+#define SHORTFORM "N"
+#define TYPEINFO &typeid(double)

src/Actions/WorldAction/AddEmptyBoundaryAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
 #include "LinearAlgebra/Vector.hpp"
 
@@ -24 +25 @@
 #define TOKEN "boundary"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "change box to add an empty boundary around all atoms"
+#define SHORTFORM "c"
+#define TYPEINFO &typeid(VectorValue)

src/Actions/WorldAction/BoundInBoxAction.def

@@ -24 +24 @@
 #define TOKEN "bound-in-box"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "bound all atoms in the domain"
+#undef SHORTFORM
+#define TYPEINFO &typeid(void)

src/Actions/WorldAction/CenterInBoxAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
 #include "Box.hpp"
 
@@ -24 +25 @@
 #define TOKEN "center-in-box"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "center all atoms in the domain"
+#define SHORTFORM "b"
+#define TYPEINFO &typeid(BoxValue)

src/Actions/WorldAction/CenterOnEdgeAction.def

@@ -24 +24 @@
 #define TOKEN "center-edge"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "center edge of all atoms on (0,0,0)"
+#define SHORTFORM "O"
+#define TYPEINFO &typeid(void)

src/Actions/WorldAction/ChangeBoxAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
 #include "Box.hpp"
 
@@ -24 +25 @@
 #define TOKEN "change-box"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "change the symmetrc matrix of the simulation domain"
+#define SHORTFORM "B"
+#define TYPEINFO &typeid(BoxValue)

src/Actions/WorldAction/InputAction.def

@@ -24 +24 @@
 #define TOKEN "input"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "specify input files"
+#define SHORTFORM "i"
+#define TYPEINFO &typeid(boost::filesystem::path)

src/Actions/WorldAction/OutputAction.def

@@ -24 +24 @@
 #define TOKEN "output"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "write output files"
+#define SHORTFORM "o"
+#define TYPEINFO &typeid(void)

src/Actions/WorldAction/RepeatBoxAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
 #include "LinearAlgebra/Vector.hpp"
 
@@ -24 +25 @@
 #define TOKEN "repeat-box"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "create periodic copies of the simulation box per axis"
+#define SHORTFORM "d"
+#define TYPEINFO &typeid(VectorValue)

src/Actions/WorldAction/ScaleBoxAction.def

@@ -7 +7 @@
 
 // all includes and forward declarations necessary for non-integral types below
+#include "Actions/Values.hpp"
 #include "LinearAlgebra/Vector.hpp"
 
@@ -24 +25 @@
 #define TOKEN "scale-box"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "scale box and atomic positions inside"
+#define SHORTFORM "s"
+#define TYPEINFO &typeid(VectorValue)

src/Actions/WorldAction/SetDefaultNameAction.def

@@ -24 +24 @@
 #define TOKEN "default-molname"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "set the default name of new molecules"
+#define SHORTFORM "X"
+#define TYPEINFO &typeid(std::string)

src/Actions/WorldAction/SetGaussianBasisAction.def

@@ -24 +24 @@
 #define TOKEN "set-basis"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "set the name of the gaussian basis set for MPQC"
+#define SHORTFORM "M"
+#define TYPEINFO &typeid(std::string)

src/Actions/WorldAction/SetOutputFormatsAction.def

@@ -24 +24 @@
 #define TOKEN "set-output"
 
+
+// finally the information stored in the ActionTrait specialization
+#undef DEFAULTVALUE
+#define DESCRIPTION "specify output formats"
+#define SHORTFORM "o"
+#define TYPEINFO &typeid(std::vector<std::string>)