| 1 | /*
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| 2 | * VerletIntegrationAction.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 | class MoleculeListClass;
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| 10 |
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| 11 | #include "Parameters/Validators/DummyValidator.hpp"
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| 12 | #include "Parameters/Validators/GenericValidators.hpp"
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| 13 | #include "Parameters/Validators/Ops_Validator.hpp"
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| 14 | #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
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| 15 |
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| 16 | // i.e. there is an integer with variable name Z that can be found in
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| 17 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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| 18 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| 19 | #define paramtypes (boost::filesystem::path)(double)(bool)
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| 20 | #define paramtokens ("forces-file")("deltat")("keep-fixed-CenterOfMass")
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| 21 | #define paramdescriptions ("file containing")("time step width")("whether forces and velocities shall be corrected such that center of mass remains at rest")
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| 22 | #define paramdefaults (PARAM_DEFAULT(""))(PARAM_DEFAULT(0.1))(PARAM_DEFAULT(true))
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| 23 | #define paramreferences (forcesfile)(Deltat)(FixedCenterOfMass)
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| 24 | #define paramvalids \
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| 25 | (DummyValidator< boost::filesystem::path >()) \
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| 26 | (PositiveValidator< double >()) \
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| 27 | (DummyValidator< bool >())
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| 28 |
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| 29 | #undef statetypes
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| 30 | #undef statereferences
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| 31 |
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| 32 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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| 33 | #define CATEGORY Molecule
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| 34 | #define MENUNAME "molecule"
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| 35 | #define MENUPOSITION 14
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| 36 | #define ACTIONNAME VerletIntegration
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| 37 | #define TOKEN "verlet-integration"
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| 38 |
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| 39 |
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| 40 | // finally the information stored in the ActionTrait specialization
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| 41 | #define DESCRIPTION "perform verlet integration of a given force file"
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| 42 | #define SHORTFORM "P"
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