Action_Thermostats
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChemicalSpaceEvaluator
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Exclude_Hydrogens_annealWithBondGraph
Fix_Verbose_Codepatterns
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
Recreated_GuiChecks
StoppableMakroAction
TremoloParser_IncreasedPrecision
| Line | |
|---|
| 1 | /*
|
|---|
| 2 | * BondSetDegreeAction.def
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Oct 01, 2016
|
|---|
| 5 | * Author: heber
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | // all includes and forward declarations necessary for non-integral types below
|
|---|
| 9 | #include "types.hpp"
|
|---|
| 10 | #include <vector>
|
|---|
| 11 | #include <utility>
|
|---|
| 12 |
|
|---|
| 13 | #include "Bond/BondInfo.hpp"
|
|---|
| 14 |
|
|---|
| 15 | typedef std::vector<BondInfo> BondDegrees_t;
|
|---|
| 16 |
|
|---|
| 17 | #include "Parameters/Validators/RangeValidator.hpp"
|
|---|
| 18 |
|
|---|
| 19 | // i.e. there is an integer with variable name Z that can be found in
|
|---|
| 20 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
|
|---|
| 21 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
|
|---|
| 22 | //#define paramtypes (const element *)(BoxVector) TODO: use a validator
|
|---|
| 23 | #define paramtypes (int)
|
|---|
| 24 | #define paramtokens ("set-bond-degree")
|
|---|
| 25 | #define paramdescriptions ("new bond degree for each bond")
|
|---|
| 26 | #define paramreferences (degree)
|
|---|
| 27 | #define paramdefaults (PARAM_DEFAULT(1))
|
|---|
| 28 | #define paramvalids \
|
|---|
| 29 | (RangeValidator<int>(1,10))
|
|---|
| 30 |
|
|---|
| 31 | #define statetypes (BondDegrees_t)
|
|---|
| 32 | #define statereferences (bonddegrees)
|
|---|
| 33 |
|
|---|
| 34 | // some defines for all the names, you may use ACTION, STATE and PARAMS
|
|---|
| 35 | #define CATEGORY Bond
|
|---|
| 36 | #define MENUNAME "bond"
|
|---|
| 37 | #define MENUPOSITION 3
|
|---|
| 38 | #define ACTIONNAME SetDegree
|
|---|
| 39 | #define TOKEN "set-bond-degree"
|
|---|
| 40 |
|
|---|
| 41 | // finally the information stored in the ActionTrait specialization
|
|---|
| 42 | #define DESCRIPTION "sets the bond degree for all selected pairs of atoms"
|
|---|
| 43 | #undef SHORTFORM
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
