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 2affd1, checked in by Frederik Heber <heber@…>, 9 years ago |
Removed molecules_deprecated from World and unnecessary includes of MoleculeListClass and all insert/erase.
- this goes along the lines of removing "remove me when we don't need
MoleculeCistClass anymore".
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-
Property mode
set to
100644
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File size:
1.6 KB
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1 | /*
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2 | * LinearInterpolationofTrajectoriesAction.def
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3 | *
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4 | * Created on: Aug 26, 2010
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5 | * Author: heber
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6 | */
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7 |
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8 | // all includes and forward declarations necessary for non-integral types below
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9 | #include "Parameters/Validators/DummyValidator.hpp"
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10 | #include "Parameters/Validators/GenericValidators.hpp"
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11 |
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12 | // i.e. there is an integer with variable name Z that can be found in
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13 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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14 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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15 | #define paramtypes (unsigned int)(unsigned int)(unsigned int)(bool)
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16 | #define paramtokens ("start-step")("interpolation-steps")("end-step")("id-mapping")
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17 | #define paramdescriptions ("first or start step")("number of steps to interpolate in between start and end step")("last or end step")("whether the identity shall be used in mapping atoms onto atoms or not")
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18 | #undef paramdefaults
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19 | #define paramreferences (start)(interpolation_steps)(end)(IdMapping)
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20 | #define paramvalids \
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21 | (DummyValidator< unsigned int >()) \
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22 | (NotZeroValidator< unsigned int >()) \
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23 | (DummyValidator< unsigned int >()) \
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24 | (DummyValidator< bool >())
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25 |
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26 | #undef statetypes
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27 | #undef statereferences
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28 |
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29 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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30 | #define CATEGORY Molecule
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31 | #define MENUNAME "molecule"
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32 | #define MENUPOSITION 6
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33 | #define ACTIONNAME LinearInterpolationofTrajectories
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34 | #define TOKEN "linear-interpolation-of-trajectories"
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35 |
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36 |
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37 | // finally the information stored in the ActionTrait specialization
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38 | #define DESCRIPTION "linear interpolation in discrete steps between start and end position of a molecule"
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39 | #undef SHORTFORM
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