source: src/Actions/PotentialAction/GeneratePotentialsAction.def

stable v1.7.0
Last change on this file was 9b0dcd, checked in by Frederik Heber <frederik.heber@…>, 4 years ago

Added potential-list argument to GeneratePotentialsAction.

  • DOCU: Extended documentation on new option.
  • TEST: Added a test case on this.
  • Property mode set to 100644
File size: 1.6 KB
Line 
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"
11#include "Parameters/Validators/Specific/PotentialTypeValidator.hpp"
12#include <string>
13#include <vector>
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
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)
23#define paramvalids \
24(STLVectorValidator< std::vector<const element *> >(0,99, ElementValidator())) \
25(STLVectorValidator< std::vector<std::string> >(0,99, PotentialTypeValidator()))
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
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