| 1 | /*
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| 2 | * FillRegularGridAction.def
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| 3 | *
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| 4 | * Created on: Jan 20, 2012
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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 <vector>
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| 10 | #include "Atom/AtomicInfo.hpp"
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| 11 | #include "Bond/BondInfo.hpp"
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| 12 | #include "types.hpp"
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| 13 |
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| 14 | #include "LinearAlgebra/defs.hpp"
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| 15 | #include "Parameters/Validators/DummyValidator.hpp"
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| 16 | #include "Parameters/Validators/STLVectorValidator.hpp"
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| 17 | #include "Parameters/Validators/Specific/BoxLengthValidator.hpp"
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| 18 | #include "Parameters/Validators/Specific/VectorZeroOneComponentsValidator.hpp"
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| 19 |
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| 20 | // i.e. there is an integer with variable name Z that can be found in
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| 21 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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| 22 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| 23 | #define paramtypes (std::vector< unsigned int >)(Vector)(double)(double)(double)(double)(bool)
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| 24 | #define paramtokens ("mesh-size")("mesh-offset")("min-distance")("tesselation-radius")("random-atom-displacement")("random-molecule-displacement")("DoRotate")
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| 25 | #define paramdescriptions ("number of points per axis")("offset to start of partition, must be in [0,1)")("Minimum distance to other atoms")("radius of rolling sphere in tesselating selected molecule's surfaces")("magnitude of random atom displacement")("magnitude of random molecule displacement")("whether to rotate or not")
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| 26 | #define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(Vector(0.,0.,0.)))(PARAM_DEFAULT(1.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(false))
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| 27 | #define paramreferences (counts)(offset)(mindistance)(SphereRadius)(RandAtomDisplacement)(RandMoleculeDisplacement)(DoRotate)
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| 28 | #define paramvalids \
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| 29 | (STLVectorValidator< std::vector< unsigned int > >(NDIM, NDIM)) \
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| 30 | (VectorZeroOneComponentsValidator()) \
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| 31 | (BoxLengthValidator()) \
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| 32 | (BoxLengthValidator()) \
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| 33 | (BoxLengthValidator()) \
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| 34 | (BoxLengthValidator()) \
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| 35 | (DummyValidator< bool >())
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| 36 |
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| 37 | #define statetypes (std::vector<AtomicInfo>)(std::vector<BondInfo>)(std::vector<AtomicInfo>)(std::vector<Vector>)
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| 38 | #define statereferences (clonedatoms)(clonedbonds)(movedatoms)(MovedToVector)
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| 39 |
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| 40 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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| 41 | #define CATEGORY Fill
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| 42 | #define MENUNAME "fill"
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| 43 | #define MENUPOSITION 1
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| 44 | #define ACTIONNAME RegularGrid
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| 45 | #define TOKEN "fill-regular-grid"
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| 46 |
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| 47 |
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| 48 | // finally the information stored in the ActionTrait specialization
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| 49 | #define DESCRIPTION "\
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| 50 | fill the domain via a regularly sparsed grid of insertion points with the \
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| 51 | currently selected molecule. If atoms are selected, too, they are surrounded by \
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| 52 | a tesselated surface and only outside of the tesselation is filled."
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| 53 | #undef SHORTFORM
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