/* * LinearInterpolationofTrajectoriesAction.def * * Created on: Aug 26, 2010 * Author: heber */ // all includes and forward declarations necessary for non-integral types below class MoleculeListClass; // 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 (boost::filesystem::path)(int)(int)(bool) #define paramtokens ("linear-interpolate")("start-step")("end-step")("id-mapping") #define paramdescriptions ("path where to store the intermediate configurations")("first or start step")("last or end step")("whether the identity shall be used in mapping atoms onto atoms or not") #undef paramdefaults #define paramreferences (filename)(start)(end)(IdMapping) #undef statetypes #undef statereferences // some defines for all the names, you may use ACTION, STATE and PARAMS #define CATEGORY Molecule #define MENUNAME "molecule" #define MENUPOSITION 6 #define ACTIONNAME LinearInterpolationofTrajectories #define TOKEN "linear-interpolate" // finally the information stored in the ActionTrait specialization #define DESCRIPTION "linear interpolation in discrete steps between start and end position of a molecule" #define SHORTFORM "L"