/* * AnalyseFragmentationResultsAction.def * * Created on: Mar 8, 2013 * Author: heber */ // all includes and forward declarations necessary for non-integral types below #include #include #include "Parameters/Validators/DummyValidator.hpp" // 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, use (NOPARAM_DEFAULT) for each (undefined) default value #define paramtypes (bool)(std::string)(bool) #define paramtokens ("store-grids")("fragment-prefix")("UseImplicitCharges") #define paramdescriptions ("whether to store sampled grids in homology files")("prefix of each fragment file")("whether to model any non-selected atoms by partial charges implicitly") #define paramdefaults (PARAM_DEFAULT("0"))(PARAM_DEFAULT("BondFragment"))(PARAM_DEFAULT("0")) #define paramreferences (DoStoreGrids)(prefix)(UseImplicitCharges) #define paramvalids \ (DummyValidator< bool >()) \ (DummyValidator< std::string >()) \ (DummyValidator< bool >()) #undef statetypes #undef statereferences // some defines for all the names, you may use ACTION, STATE and PARAMS #define CATEGORY Fragmentation #define MENUNAME "fragmentation" #define MENUPOSITION 4 #define ACTIONNAME AnalyseFragmentationResults #define TOKEN "analyse-fragment-results" // finally the information stored in the ActionTrait specialization #define DESCRIPTION "analyses previously calculated results" #undef SHORTFORM