/* * ChemicalSpaceEvaluatorAction.def * * Created on: Sep 26, 2017 * Author: heber */ // all includes and forward declarations necessary for non-integral types below #include "Parameters/Validators/DummyValidator.hpp" #include "Parameters/Validators/STLVectorValidator.hpp" #include "Parameters/Validators/Specific/ElementValidator.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 (std::string)(std::vector) #define paramtokens ("graph6")("elements") #define paramdescriptions ("graph6 string representing a graph")("set of chemical elements for each node") #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT) #define paramreferences (graph_string)(graph_elements) #define paramvalids \ (DummyValidator()) \ (STLVectorValidator< std::vector >(1,100, ElementValidator())) #undef statetypes #undef statereferences // some defines for all the names, you may use ACTION, STATE and PARAMS #define CATEGORY Graph #define MENUNAME "graph" #define MENUPOSITION 7 #define ACTIONNAME ChemicalSpaceEvaluator #define TOKEN "evaluate-chemical-space" // finally the information stored in the ActionTrait specialization #define DESCRIPTION "construct all possible chemical molecules for a given graph6 string and gives their energy." #undef SHORTFORM