[a88452] | 1 | /*
|
---|
| 2 | * FillRegularGridAction.def
|
---|
| 3 | *
|
---|
| 4 | * Created on: Jan 20, 2012
|
---|
| 5 | * Author: heber
|
---|
| 6 | */
|
---|
| 7 |
|
---|
| 8 | // all includes and forward declarations necessary for non-integral types below
|
---|
[80ca29] | 9 | #include <vector>
|
---|
| 10 | #include "Atom/AtomicInfo.hpp"
|
---|
| 11 | #include "Bond/BondInfo.hpp"
|
---|
| 12 | #include "types.hpp"
|
---|
[a88452] | 13 |
|
---|
[23958d] | 14 | #include "LinearAlgebra/defs.hpp"
|
---|
[649aaa] | 15 | #include "Parameters/Validators/DummyValidator.hpp"
|
---|
[23958d] | 16 | #include "Parameters/Validators/STLVectorValidator.hpp"
|
---|
| 17 | #include "Parameters/Validators/Specific/BoxLengthValidator.hpp"
|
---|
| 18 | #include "Parameters/Validators/Specific/VectorZeroOneComponentsValidator.hpp"
|
---|
[649aaa] | 19 |
|
---|
[a88452] | 20 | // i.e. there is an integer with variable name Z that can be found in
|
---|
| 21 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
|
---|
[6ba9ba] | 22 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
|
---|
[2382d7] | 23 | #define paramtypes (std::vector< unsigned int >)(Vector)(double)(double)(double)(double)(bool)
|
---|
[896f4a] | 24 | #define paramtokens ("mesh-size")("mesh-offset")("min-distance")("tesselation-radius")("random-atom-displacement")("random-molecule-displacement")("DoRotate")
|
---|
| 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")
|
---|
[6ba9ba] | 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))
|
---|
[896f4a] | 27 | #define paramreferences (counts)(offset)(mindistance)(SphereRadius)(RandAtomDisplacement)(RandMoleculeDisplacement)(DoRotate)
|
---|
[23958d] | 28 | #define paramvalids \
|
---|
| 29 | (STLVectorValidator< std::vector< unsigned int > >(NDIM, NDIM)) \
|
---|
| 30 | (VectorZeroOneComponentsValidator()) \
|
---|
| 31 | (BoxLengthValidator()) \
|
---|
| 32 | (BoxLengthValidator()) \
|
---|
| 33 | (BoxLengthValidator()) \
|
---|
| 34 | (BoxLengthValidator()) \
|
---|
| 35 | (DummyValidator< bool >())
|
---|
[a88452] | 36 |
|
---|
[80ca29] | 37 | #define statetypes (std::vector<AtomicInfo>)(std::vector<BondInfo>)(std::vector<AtomicInfo>)(std::vector<Vector>)
|
---|
| 38 | #define statereferences (clonedatoms)(clonedbonds)(movedatoms)(MovedToVector)
|
---|
[a88452] | 39 |
|
---|
| 40 | // some defines for all the names, you may use ACTION, STATE and PARAMS
|
---|
| 41 | #define CATEGORY Fill
|
---|
| 42 | #define MENUNAME "fill"
|
---|
| 43 | #define MENUPOSITION 1
|
---|
| 44 | #define ACTIONNAME RegularGrid
|
---|
| 45 | #define TOKEN "fill-regular-grid"
|
---|
| 46 |
|
---|
| 47 |
|
---|
| 48 | // finally the information stored in the ActionTrait specialization
|
---|
[e9ad43] | 49 | #define DESCRIPTION "\
|
---|
| 50 | fill the domain via a regularly sparsed grid of insertion points with the \
|
---|
| 51 | currently selected molecule. If atoms are selected, too, they are surrounded by \
|
---|
| 52 | a tesselated surface and only outside of the tesselation is filled."
|
---|
[a88452] | 53 | #undef SHORTFORM
|
---|