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
ChangingTestPorts
ChemicalSpaceEvaluator
Disabling_MemDebug
Docu_Python_wait
EmpiricalPotential_contain_HomologyGraph_documentation
Enhance_userguide
Enhanced_StructuralOptimization
Enhanced_StructuralOptimization_continued
Example_ManyWaysToTranslateAtom
Exclude_Hydrogens_annealWithBondGraph
Fix_ChronosMutex
Fix_StatusMsg
Fix_StepWorldTime_single_argument
Fix_Verbose_Codepatterns
ForceAnnealing_goodresults
ForceAnnealing_oldresults
ForceAnnealing_tocheck
ForceAnnealing_with_BondGraph
ForceAnnealing_with_BondGraph_continued
ForceAnnealing_with_BondGraph_continued_betteresults
ForceAnnealing_with_BondGraph_contraction-expansion
GeometryObjects
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
Ubuntu_1604_changes
|
Last change
on this file since aa91de0 was 0ea063, checked in by Frederik Heber <heber@…>, 10 years ago |
|
Extracted SavePotentialsAction.
- PotentialTrainer::StorePotentials removed.
- Fit...Actions do not store anymore.
- TESTFIX: potential regression tests now use save-potentials and compare
against stored file.
|
-
Property mode
set to
100644
|
|
File size:
1.2 KB
|
| Line | |
|---|
| 1 | /*
|
|---|
| 2 | * SavePotentialsAction.def
|
|---|
| 3 | *
|
|---|
| 4 | * Created on: Sep 12, 2014
|
|---|
| 5 | * Author: heber
|
|---|
| 6 | */
|
|---|
| 7 |
|
|---|
| 8 | // all includes and forward declarations necessary for non-integral types below
|
|---|
| 9 | #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
|
|---|
| 10 | #include "Parameters/Validators/Specific/FileSuffixValidator.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 (boost::filesystem::path)
|
|---|
| 16 | #define paramtokens ("save-potentials")
|
|---|
| 17 | #define paramdescriptions ("TREMOLO potentials file to write to")
|
|---|
| 18 | #define paramdefaults (NOPARAM_DEFAULT)
|
|---|
| 19 | #define paramreferences (potential_file)
|
|---|
| 20 | #define paramvalids \
|
|---|
| 21 | (FileSuffixValidator("potentials"))
|
|---|
| 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 1
|
|---|
| 30 | #define ACTIONNAME SavePotentials
|
|---|
| 31 | #define TOKEN "save-potentials"
|
|---|
| 32 |
|
|---|
| 33 |
|
|---|
| 34 | // finally the information stored in the ActionTrait specialization
|
|---|
| 35 | #define DESCRIPTION "parses TREMOLO potentials file and instantiates each potential"
|
|---|
| 36 | #undef SHORTFORM
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
