/* * BondifyAction.def * * Created on: Oct 07, 2020 * Author: heber */ // all includes and forward declarations necessary for non-integral types below #include "Atom/AtomicInfo.hpp" #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 (unsigned int) #define paramtokens ("max_hydrogens") #define paramdescriptions ("maximum number of hydrogens to replace by a bond in other atoms") #define paramreferences (max_hydrogens) #define paramdefaults (PARAM_DEFAULT(1)) #define paramvalids \ (DummyValidator()) #define statetypes (std::vector) #define statereferences (addedHydrogens) // some defines for all the names, you may use ACTION, STATE and PARAMS #define CATEGORY Atom #define MENUNAME "atom" #define MENUPOSITION 9 #define ACTIONNAME Bondify #define TOKEN "bondify-atoms" // finally the information stored in the ActionTrait specialization #define DESCRIPTION "try to find bond partners in vicinity replacing their bonds to hydrogen (and removing the hydrogen atom)" #undef SHORTFORM