Candidate_v1.7.0
stable
|
Last change
on this file since 55c494 was 55c494, checked in by Frederik Heber <frederik.heber@…>, 4 years ago |
|
Added GeneratePotentialsAction.
- this generates all potential combinations for a given fragment.
- exposed PotentialFactory::getDefaultInstance() for constant instance
to be able to gather more information about the potential such as
the binding model.
- DOCU: Added documentation.
- TEST: Added regression test case.
|
-
Property mode
set to
100644
|
|
File size:
1.3 KB
|
| Rev | Line | |
|---|
| [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"
|
|---|
| 11 |
|
|---|
| 12 | // i.e. there is an integer with variable name Z that can be found in
|
|---|
| 13 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
|
|---|
| 14 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
|
|---|
| 15 | #define paramtypes (std::vector<const element *>)
|
|---|
| 16 | #define paramtokens ("fragment-charges")
|
|---|
| 17 | #define paramdescriptions ("charges specifying the fragment")
|
|---|
| 18 | #define paramdefaults (NOPARAM_DEFAULT)
|
|---|
| 19 | #define paramreferences (fragment)
|
|---|
| 20 | #define paramvalids \
|
|---|
| 21 | (STLVectorValidator< std::vector<const element *> >(0,99, ElementValidator()))
|
|---|
| 22 |
|
|---|
| 23 | #undef statetypes
|
|---|
| 24 | #undef statereferences
|
|---|
| 25 |
|
|---|
| 26 | // some defines for all the names, you may use ACTION, STATE and PARAMS
|
|---|
| 27 | #define CATEGORY Potential
|
|---|
| 28 | #define MENUNAME "potential"
|
|---|
| 29 | #define MENUPOSITION 13
|
|---|
| 30 | #define ACTIONNAME GeneratePotentials
|
|---|
| 31 | #define TOKEN "generate-potentials"
|
|---|
| 32 |
|
|---|
| 33 |
|
|---|
| 34 | // finally the information stored in the ActionTrait specialization
|
|---|
| 35 | #define DESCRIPTION "instantiates all matching TREMOLO potentials for a specified fragment"
|
|---|
| 36 | #undef SHORTFORM
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
