Changeset e4afb4 for src/Actions/SelectionAction

Timestamp:

Oct 30, 2010, 8:42:44 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:

76cec6, c38826

Parents:

23359f

git-author:

Frederik Heber <heber@…> (10/30/10 19:55:54)

git-committer:

Frederik Heber <heber@…> (10/30/10 20:42:44)

Message:

Huge refactoring: Introduction of Traits to Actions.

This change is really big but the introduction of the Trait concept (at least
in its current light form) is so fundamental that lots of pieces had to be
changed in order to get everything working.

The main point why it was necessary to add these traits in the first place was
to comfortably allow for adding extension of Actions information-wise, i.e.
with stuff that is only important for the QtUI, such as icons, or tooltips, ...
This extra information should not be stored with Action itself, as it has
nothing to do with the workings of the Action. And neither should it get
stored with some blown-out-of-proportions MapOfActions class ...

The gist of the change is as follows:

• OptionTrait contains the token, description, shortform and type of an option, such as ("position", "position in space, none, typeid(Vector)).
• ActionTrait is the derived form for actions where additionally MenuPosition and MenuName are stored (and probably more to come for the GUI), also we have a set of OptionTrait instances, one for each option of the Action.
• Action then contains this ActionTrait, specialized for each Action.
• the preprocessor macros have been enhanced to gather all this information from the .def files.
• MapOfActions is gone. Completely. Most of its use was to store this extra information and the ValueStorage part now is just in class ValueStorage.
• ValueStorage is no more an interface to MapOfActions but as the name says a (type-safe) ValueStorage.

Listing the (remaining) changes in alphabetical order of the class:

• Action
  • member value ::name dropped, ::getName() uses ActionTraits::getName()
  • new define NODEFAULT which is used in paramdefaults in .def files
  • all derived actions classes such as Process, Calculations, MakroAction,... have been adapated to use the ActionTrait concept as well.

• ActionHistory
  • extraced RedoAction and UndoAction, shifted implementation into their own object files and they use .def files as well (i.e. streamlined with method used for other actions)

• CommandLineParser
  • CommandLineParser goes through ActionRegistry to get arguments and types to add
  • we use TypeEnumContainer which before was present in MapOfActions, as CommandLineParser::AddOptionsToParser() needs enums in its switch statement, we can't switch on types and types are not known until run-time. Hence, templates won't do either.
  • ShortFormMap is created here now (and used here only)
  • File was moved over to UIElements/CommandLineUI.

• MenuDescription
  • contain information on Menus such as name, ...
  • new unit test checks for consistency

• molecule
  • const member functions: Copy(), Output() and OutputBonds()

• OptionRegistry
  • new registry class for options only
  • we want the same type throughout the code for each token, e.g. "position"
  • the registry containts checks for consistency

• OptionTrait
  • default values are specified in paramdefaults, none are given by NODEFAULT
  • introduced default for translate-atoms, point-correlation, pair-correlation

• Registry pattern
  • new unit test, but only sceleton code so far

• ...Query, also ...Pipe
  • atoms, molecule and elements are now all const
  • also ValueStorage's signatures all have const therein

• ValueStorage
  • set/queryCurrentValue from MapOfActions
  • at times VectorValue has been in .def files where Vector was in the signature. This is cleared. Such stuff is only present for e.g. BoxVector being queried as a Vector. But this is a feature and intended.

• World
  • most of the (un)selection functions now work on const atoms and molecules
  • in one case we need a const_cast to remove this, but this is intentional, as the vector of selected atoms stores non-const pointers and this is ok.

There is only one test which had to be changed slightly because a specific
option token as "position" must now have the same type everywhere, e.g. always
Vector.

• TESTFIX: Simple_configuration/2: --position -> --domain-position (and associated to BoxVector)

Location:

src/Actions/SelectionAction

Files:

• AllAtomsAction.cpp (modified) (1 diff)
• AllAtomsAction.def (modified) (2 diffs)
• AllAtomsInsideCuboidAction.cpp (modified) (1 diff)
• AllAtomsInsideCuboidAction.def (modified) (2 diffs)
• AllAtomsInsideSphereAction.cpp (modified) (1 diff)
• AllAtomsInsideSphereAction.def (modified) (2 diffs)
• AllAtomsOfMoleculeAction.cpp (modified) (1 diff)
• AllAtomsOfMoleculeAction.def (modified) (2 diffs)
• AllMoleculesAction.cpp (modified) (1 diff)
• AllMoleculesAction.def (modified) (2 diffs)
• AtomByElementAction.cpp (modified) (1 diff)
• AtomByElementAction.def (modified) (2 diffs)
• AtomByIdAction.cpp (modified) (1 diff)
• AtomByIdAction.def (modified) (2 diffs)
• ClearAllAtomsAction.cpp (modified) (1 diff)
• ClearAllAtomsAction.def (modified) (2 diffs)
• ClearAllMoleculesAction.cpp (modified) (1 diff)
• ClearAllMoleculesAction.def (modified) (2 diffs)
• MoleculeByFormulaAction.cpp (modified) (1 diff)
• MoleculeByFormulaAction.def (modified) (2 diffs)
• MoleculeByIdAction.cpp (modified) (1 diff)
• MoleculeByIdAction.def (modified) (2 diffs)
• MoleculeOfAtomAction.cpp (modified) (1 diff)
• MoleculeOfAtomAction.def (modified) (2 diffs)
• NotAllAtomsAction.cpp (modified) (1 diff)
• NotAllAtomsAction.def (modified) (2 diffs)
• NotAllAtomsInsideCuboidAction.cpp (modified) (1 diff)
• NotAllAtomsInsideCuboidAction.def (modified) (2 diffs)
• NotAllAtomsInsideSphereAction.cpp (modified) (1 diff)
• NotAllAtomsInsideSphereAction.def (modified) (2 diffs)
• NotAllAtomsOfMoleculeAction.cpp (modified) (1 diff)
• NotAllAtomsOfMoleculeAction.def (modified) (2 diffs)
• NotAllMoleculesAction.cpp (modified) (1 diff)
• NotAllMoleculesAction.def (modified) (2 diffs)
• NotAtomByElementAction.cpp (modified) (1 diff)
• NotAtomByElementAction.def (modified) (2 diffs)
• NotAtomByIdAction.cpp (modified) (1 diff)
• NotAtomByIdAction.def (modified) (2 diffs)
• NotMoleculeByFormulaAction.cpp (modified) (1 diff)
• NotMoleculeByFormulaAction.def (modified) (2 diffs)
• NotMoleculeByIdAction.cpp (modified) (1 diff)
• NotMoleculeByIdAction.def (modified) (2 diffs)
• NotMoleculeOfAtomAction.cpp (modified) (1 diff)
• NotMoleculeOfAtomAction.def (modified) (2 diffs)

src/Actions/SelectionAction/AllAtomsAction.cpp

@@ -72 +72 @@
   return true;
 }
-
-const string SelectionAllAtomsAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/AllAtomsAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramtokens
 #undef paramdescriptions
+#undef paramdefaults
 #undef paramreferences
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -86 +86 @@
   return true;
 }
-
-const string SelectionAllAtomsInsideCuboidAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/AllAtomsInsideCuboidAction.def

@@ -13 +13 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (Vector)(Vector)(double)(double)(double)
 #define paramtokens ("select-atoms-inside-cuboid")("position")("angle-x")("angle-y")("angle-z")
-#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")
+#define paramdescriptions ("dimensions of 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")
+#undef paramdefaults
 #define paramreferences (extension)(position)(Xangle)(Yangle)(Zangle)
 
@@ -31 +32 @@
 
 // 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.cpp

@@ -80 +80 @@
   return true;
 }
-
-const string SelectionAllAtomsInsideSphereAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/AllAtomsInsideSphereAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (double)(Vector)
 #define paramtokens ("select-atoms-inside-sphere")("position")
-#define paramdescriptions ("select all atoms inside a sphere")("position in R^3 space")
+#define paramdescriptions ("sphere radius")("position in R^3 space")
+#undef paramdefaults
 #define paramreferences (radius)(position)
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -74 +74 @@
   return true;
 }
-
-const string SelectionAllAtomsOfMoleculeAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/AllAtomsOfMoleculeAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
-#define paramtypes (molecule *)
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+#define paramtypes (const molecule *)
 #define paramtokens ("select-molecules-atoms")
-#define paramdescriptions ("select all atoms of a molecule")
+#define paramdescriptions ("molecule to select")
+#undef paramdefaults
 #define paramreferences (mol)
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -72 +72 @@
   return true;
 }
-
-const string SelectionAllMoleculesAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/AllMoleculesAction.def

@@ -10 +10 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramtokens
 #undef paramdescriptions
+#undef paramdefaults
 #undef paramreferences
 
@@ -28 +29 @@
 
 // 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.cpp

@@ -74 +74 @@
   return true;
 }
-
-const string SelectionAtomByElementAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/AtomByElementAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (const element*)
 #define paramtokens ("select-atom-by-element")
-#define paramdescriptions ("select an atom by element")
+#define paramdescriptions ("element")
+#undef paramdefaults
 #define paramreferences (elemental)
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -74 +74 @@
   return true;
 }
-
-const string SelectionAtomByIdAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/AtomByIdAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
-#define paramtypes (atom*)
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+#define paramtypes (const atom*)
 #define paramtokens ("select-atom-by-id")
-#define paramdescriptions ("select an atom by index")
+#define paramdescriptions ("atom index")
+#undef paramdefaults
 #define paramreferences (Walker)
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -72 +72 @@
   return true;
 }
-
-const string SelectionClearAllAtomsAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/ClearAllAtomsAction.def

@@ -10 +10 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramtokens
 #undef paramdescriptions
+#undef paramdefaults
 #undef paramreferences
 
@@ -28 +29 @@
 
 // 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.cpp

@@ -72 +72 @@
   return true;
 }
-
-const string SelectionClearAllMoleculesAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/ClearAllMoleculesAction.def

@@ -10 +10 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramtokens
 #undef paramdescriptions
+#undef paramdefaults
 #undef paramreferences
 
@@ -28 +29 @@
 
 // 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.cpp

@@ -77 +77 @@
   return true;
 }
-
-const string SelectionMoleculeByFormulaAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/MoleculeByFormulaAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (std::string)
 #define paramtokens ("select-molecule-by-formula")
-#define paramdescriptions ("select a molecule by chemical formula")
+#define paramdescriptions ("chemical formula")
+#undef paramdefaults
 #define paramreferences (formula)
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -74 +74 @@
   return true;
 }
-
-const string SelectionMoleculeByIdAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/MoleculeByIdAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
-#define paramtypes (molecule*)
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+#define paramtypes (const molecule*)
 #define paramtokens ("select-molecule-by-id")
-#define paramdescriptions ("select a molecule by index")
+#define paramdescriptions ("molecule index")
+#undef paramdefaults
 #define paramreferences (mol)
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -72 +72 @@
   return true;
 }
-
-const string SelectionMoleculeOfAtomAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/MoleculeOfAtomAction.def

@@ -10 +10 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
-#define paramtypes (atom*)
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+#define paramtypes (const atom*)
 #define paramtokens ("select-molecule-of-atom")
-#define paramdescriptions ("select a molecule to which a given atom belongs")
+#define paramdescriptions ("one atom of desired molecule")
+#undef paramdefaults
 #define paramreferences (Walker)
 
@@ -28 +29 @@
 
 // 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.cpp

@@ -72 +72 @@
   return true;
 }
-
-const string SelectionNotAllAtomsAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/NotAllAtomsAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramtokens
 #undef paramdescriptions
+#undef paramdefaults
 #undef paramreferences
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -86 +86 @@
   return true;
 }
-
-const string SelectionNotAllAtomsInsideCuboidAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/NotAllAtomsInsideCuboidAction.def

@@ -13 +13 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (Vector)(Vector)(double)(double)(double)
 #define paramtokens ("unselect-atoms-inside-cuboid")("position")("angle-x")("angle-y")("angle-z")
-#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")
+#define paramdescriptions ("dimension of 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")
+#undef paramdefaults
 #define paramreferences (extension)(position)(Xangle)(Yangle)(Zangle)
 
@@ -31 +32 @@
 
 // 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.cpp

@@ -80 +80 @@
   return true;
 }
-
-const string SelectionNotAllAtomsInsideSphereAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/NotAllAtomsInsideSphereAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (double)(Vector)
 #define paramtokens ("unselect-atoms-inside-sphere")("position")
-#define paramdescriptions ("unselect all atoms inside a sphere")("position in R^3 space")
+#define paramdescriptions ("radius of sphere")("position in R^3 space")
+#undef paramdefaults
 #define paramreferences (radius)(position)
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -74 +74 @@
   return true;
 }
-
-const string SelectionNotAllAtomsOfMoleculeAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/NotAllAtomsOfMoleculeAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
-#define paramtypes (molecule*)
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+#define paramtypes (const molecule*)
 #define paramtokens ("unselect-molecules-atoms")
-#define paramdescriptions ("unselect all atoms of a molecule")
+#define paramdescriptions ("molecule")
+#undef paramdefaults
 #define paramreferences (mol)
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -72 +72 @@
   return true;
 }
-
-const string SelectionNotAllMoleculesAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/NotAllMoleculesAction.def

@@ -10 +10 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #undef paramtypes
 #undef paramtokens
 #undef paramdescriptions
+#undef paramdefaults
 #undef paramreferences
 
@@ -28 +29 @@
 
 // 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.cpp

@@ -74 +74 @@
   return true;
 }
-
-const string SelectionNotAtomByElementAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/NotAtomByElementAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (const element*)
 #define paramtokens ("unselect-atom-by-element")
-#define paramdescriptions ("unselect an atom by element")
+#define paramdescriptions ("element")
+#undef paramdefaults
 #define paramreferences (elemental)
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -74 +74 @@
   return true;
 }
-
-const string SelectionNotAtomByIdAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/NotAtomByIdAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
-#define paramtypes (atom*)
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+#define paramtypes (const atom*)
 #define paramtokens ("unselect-atom-by-id")
-#define paramdescriptions ("unselect an atom by index")
+#define paramdescriptions ("atom index")
+#undef paramdefaults
 #define paramreferences (Walker)
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -77 +77 @@
   return true;
 }
-
-const string SelectionNotMoleculeByFormulaAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/NotMoleculeByFormulaAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
 #define paramtypes (std::string)
 #define paramtokens ("unselect-molecule-by-formula")
-#define paramdescriptions ("unselect a molecule by chemical formula")
+#define paramdescriptions ("chemical formula")
+#undef paramdefaults
 #define paramreferences (formula)
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -74 +74 @@
   return true;
 }
-
-const string SelectionNotMoleculeByIdAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/NotMoleculeByIdAction.def

@@ -11 +11 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
-#define paramtypes (molecule*)
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+#define paramtypes (const molecule*)
 #define paramtokens ("unselect-molecule-by-id")
-#define paramdescriptions ("unselect a molecule by index")
+#define paramdescriptions ("molecule index")
+#undef paramdefaults
 #define paramreferences (mol)
 
@@ -29 +30 @@
 
 // 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.cpp

@@ -72 +72 @@
   return true;
 }
-
-const string SelectionNotMoleculeOfAtomAction::getName() {
-  return NAME;
-}
 /** =========== end of function ====================== */

src/Actions/SelectionAction/NotMoleculeOfAtomAction.def

@@ -10 +10 @@
 // i.e. there is an integer with variable name Z that can be found in
 // ValueStorage by the token "Z" -> first column: int, Z, "Z"
-// "undefine" if no parameters are required
-#define paramtypes (atom*)
+// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
+#define paramtypes (const atom*)
 #define paramtokens ("unselect-molecule-of-atom")
-#define paramdescriptions ("unselect a molecule to which a given atom belongs")
+#define paramdescriptions ("one atom of desired molecule")
+#undef paramdefaults
 #define paramreferences (Walker)
 
@@ -28 +29 @@
 
 // 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)