| [1fd675] | 1 | /*
|
|---|
| 2 | * VerletIntegrationAction.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 | class MoleculeListClass;
|
|---|
| 10 |
|
|---|
| [649aaa] | 11 | #include "Parameters/Validators/DummyValidator.hpp"
|
|---|
| [23958d] | 12 | #include "Parameters/Validators/GenericValidators.hpp"
|
|---|
| [4882d5] | 13 | #include "Parameters/Validators/Ops_Validator.hpp"
|
|---|
| [23958d] | 14 | #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
|
|---|
| [649aaa] | 15 |
|
|---|
| [1fd675] | 16 | // i.e. there is an integer with variable name Z that can be found in
|
|---|
| 17 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
|
|---|
| [6ba9ba] | 18 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
|
|---|
| [bcb593] | 19 | #define paramtypes (boost::filesystem::path)(double)(bool)
|
|---|
| 20 | #define paramtokens ("forces-file")("deltat")("keep-fixed-CenterOfMass")
|
|---|
| 21 | #define paramdescriptions ("file containing")("time step width")("whether forces and velocities shall be corrected such that center of mass remains at rest")
|
|---|
| [5eaa23] | 22 | #define paramdefaults (PARAM_DEFAULT(""))(PARAM_DEFAULT(0.1))(PARAM_DEFAULT(true))
|
|---|
| [bcb593] | 23 | #define paramreferences (forcesfile)(Deltat)(FixedCenterOfMass)
|
|---|
| [23958d] | 24 | #define paramvalids \
|
|---|
| [4882d5] | 25 | (DummyValidator< boost::filesystem::path >()) \
|
|---|
| [23958d] | 26 | (PositiveValidator< double >()) \
|
|---|
| 27 | (DummyValidator< bool >())
|
|---|
| [1fd675] | 28 |
|
|---|
| 29 | #undef statetypes
|
|---|
| 30 | #undef statereferences
|
|---|
| 31 |
|
|---|
| 32 | // some defines for all the names, you may use ACTION, STATE and PARAMS
|
|---|
| 33 | #define CATEGORY Molecule
|
|---|
| [052bfd8] | 34 | #define MENUNAME "molecule"
|
|---|
| 35 | #define MENUPOSITION 14
|
|---|
| [1fd675] | 36 | #define ACTIONNAME VerletIntegration
|
|---|
| [967b3c] | 37 | #define TOKEN "verlet-integration"
|
|---|
| [1fd675] | 38 |
|
|---|
| [24fbf3] | 39 |
|
|---|
| 40 | // finally the information stored in the ActionTrait specialization
|
|---|
| 41 | #define DESCRIPTION "perform verlet integration of a given force file"
|
|---|
| 42 | #define SHORTFORM "P"
|
|---|
