Action_Thermostats
Add_AtomRandomPerturbation
Add_RotateAroundBondAction
Add_SelectAtomByNameAction
Adding_Graph_to_ChangeBondActions
Adding_MD_integration_tests
Adding_StructOpt_integration_tests
AutomationFragmentation_failures
Candidate_v1.6.1
ChangeBugEmailaddress
ChemicalSpaceEvaluator
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_oldresults
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
Gui_displays_atomic_force_velocity
IndependentFragmentGrids_IntegrationTest
JobMarket_RobustOnKillsSegFaults
JobMarket_StableWorkerPool
PythonUI_with_named_parameters
QtGui_reactivate_TimeChanged_changes
Recreated_GuiChecks
RotateToPrincipalAxisSystem_UndoRedo
StoppableMakroAction
TremoloParser_IncreasedPrecision
TremoloParser_MultipleTimesteps
|
Last change
on this file since 5e17bf was 066442, checked in by Frederik Heber <heber@…>, 10 years ago |
|
Added TranslateMolecule action.
- added translate-molecule to userguide.
- added translate-miolecule regression tests.
- TranslateAtoms now has extra option position.
|
-
Property mode
set to
100644
|
|
File size:
1.3 KB
|
| Line | |
|---|
| 1 | /*
|
|---|
| 2 | * TranslateAction.def
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Aug 26, 2010
|
|---|
| 5 | * Author: heber
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | // all includes and forward declarations necessary for non-integral types below
|
|---|
| 9 | #include "Actions/Values.hpp"
|
|---|
| 10 | #include "LinearAlgebra/Vector.hpp"
|
|---|
| 11 |
|
|---|
| 12 | #include "Parameters/Validators/DummyValidator.hpp"
|
|---|
| 13 |
|
|---|
| 14 | // i.e. there is an integer with variable name Z that can be found in
|
|---|
| 15 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
|
|---|
| 16 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
|
|---|
| 17 | #define paramtypes (Vector)(bool)
|
|---|
| 18 | #define paramtokens ("position")("periodic")
|
|---|
| 19 | #define paramdescriptions ("translation vector")("system is constraint to periodic boundary conditions")
|
|---|
| 20 | #define paramreferences (x)(periodic)
|
|---|
| 21 | #define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(false))
|
|---|
| 22 | #define paramvalids \
|
|---|
| 23 | (DummyValidator< Vector >()) \
|
|---|
| 24 | (DummyValidator< bool >())
|
|---|
| 25 |
|
|---|
| 26 | #define statetypes (std::vector<atom*>)
|
|---|
| 27 | #define statereferences (selectedAtoms)
|
|---|
| 28 |
|
|---|
| 29 | // some defines for all the names, you may use ACTION, STATE and PARAMS
|
|---|
| 30 | #define CATEGORY Atom
|
|---|
| 31 | #define MENUNAME "atom"
|
|---|
| 32 | #define MENUPOSITION 4
|
|---|
| 33 | #define ACTIONNAME Translate
|
|---|
| 34 | #define TOKEN "translate-atoms"
|
|---|
| 35 |
|
|---|
| 36 |
|
|---|
| 37 | // finally the information stored in the ActionTrait specialization
|
|---|
| 38 | #define DESCRIPTION "translate all selected atoms by given vector"
|
|---|
| 39 | #define SHORTFORM "t"
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
