/* * ChangeBondAngleAction.def * * Created on: Nov 14, 2012 * Author: heber */ // all includes and forward declarations necessary for non-integral types below #include "Parameters/Validators/Specific/RotationAngleValidator.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 (double) #define paramtokens ("change-bond-angle") #define paramdescriptions ("new bond angle in degree") #define paramdefaults (NOPARAM_DEFAULT) #define paramreferences (bondangle) #define paramvalids \ (RotationAngleValidator()) #define statetypes (atomId_t)(atomId_t)(Vector)(Vector)(Vector)(Vector) #define statereferences (firstId)(secondId)(firstOldPosition)(secondOldPosition)(firstNewPosition)(secondNewPosition) // some defines for all the names, you may use ACTION, STATE and PARAMS #define CATEGORY Molecule #define MENUNAME "molecule" #define MENUPOSITION 11 #define ACTIONNAME ChangeBondAngle #define TOKEN "change-bond-angle" // finally the information stored in the ActionTrait specialization #define DESCRIPTION "changes symmetrically the positions of the two outer ones of three linearly bonded atoms such that the angle in between matches the desired one" #undef SHORTFORM