/* * FragmentationAction.def * * Created on: Aug 26, 2010 * Author: heber */ // all includes and forward declarations necessary for non-integral types below // 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 (NODEFAULT) for each (undefined) default value #define paramtypes (std::string)(double)(int) #define paramtokens ("fragment-mol")("distance")("order") #define paramdescriptions ("path to where the fragment configurations shall be stored")("distance in space")("order of a discretization, dissection, ...") #undef paramdefaults #define paramreferences (path)(distance)(order) #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 3 #define ACTIONNAME Fragmentation #define TOKEN "fragment-mol" // finally the information stored in the ActionTrait specialization #define DESCRIPTION "create for a given molecule into fragments up to given order" #define SHORTFORM "f"