| [55c494] | 1 | /* | 
|---|
|  | 2 | * GeneratePotentialsAction.def | 
|---|
|  | 3 | * | 
|---|
|  | 4 | *  Created on: May 13, 2021 | 
|---|
|  | 5 | *      Author: heber | 
|---|
|  | 6 | */ | 
|---|
|  | 7 |  | 
|---|
|  | 8 | // all includes and forward declarations necessary for non-integral types below | 
|---|
|  | 9 | #include "Parameters/Validators/STLVectorValidator.hpp" | 
|---|
|  | 10 | #include "Parameters/Validators/Specific/ElementValidator.hpp" | 
|---|
| [9b0dcd] | 11 | #include "Parameters/Validators/Specific/PotentialTypeValidator.hpp" | 
|---|
|  | 12 | #include <string> | 
|---|
|  | 13 | #include <vector> | 
|---|
| [55c494] | 14 |  | 
|---|
|  | 15 | // i.e. there is an integer with variable name Z that can be found in | 
|---|
|  | 16 | // ValueStorage by the token "Z" -> first column: int, Z, "Z" | 
|---|
|  | 17 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value | 
|---|
| [9b0dcd] | 18 | #define paramtypes (std::vector<const element *>)(std::vector<std::string>) | 
|---|
|  | 19 | #define paramtokens ("fragment-charges")("potential-list") | 
|---|
|  | 20 | #define paramdescriptions ("charges specifying the fragment")("list of potentials to generate or empty for all") | 
|---|
|  | 21 | #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT) | 
|---|
|  | 22 | #define paramreferences (fragment)(potential_list) | 
|---|
| [55c494] | 23 | #define paramvalids \ | 
|---|
| [9b0dcd] | 24 | (STLVectorValidator< std::vector<const element *> >(0,99, ElementValidator())) \ | 
|---|
|  | 25 | (STLVectorValidator< std::vector<std::string> >(0,99, PotentialTypeValidator())) | 
|---|
| [55c494] | 26 |  | 
|---|
|  | 27 | #undef statetypes | 
|---|
|  | 28 | #undef statereferences | 
|---|
|  | 29 |  | 
|---|
|  | 30 | // some defines for all the names, you may use ACTION, STATE and PARAMS | 
|---|
|  | 31 | #define CATEGORY Potential | 
|---|
|  | 32 | #define MENUNAME "potential" | 
|---|
|  | 33 | #define MENUPOSITION 13 | 
|---|
|  | 34 | #define ACTIONNAME GeneratePotentials | 
|---|
|  | 35 | #define TOKEN "generate-potentials" | 
|---|
|  | 36 |  | 
|---|
|  | 37 |  | 
|---|
|  | 38 | // finally the information stored in the ActionTrait specialization | 
|---|
|  | 39 | #define DESCRIPTION "instantiates all matching TREMOLO potentials for a specified fragment" | 
|---|
|  | 40 | #undef SHORTFORM | 
|---|