/* * FillRegularGridAction.def * * Created on: Jan 20, 2012 * Author: heber */ // all includes and forward declarations necessary for non-integral types below #include #include "Atom/AtomicInfo.hpp" #include "Bond/BondInfo.hpp" #include "types.hpp" #include "LinearAlgebra/defs.hpp" #include "Parameters/Validators/DummyValidator.hpp" #include "Parameters/Validators/STLVectorValidator.hpp" #include "Parameters/Validators/Specific/BoxLengthValidator.hpp" #include "Parameters/Validators/Specific/VectorZeroOneComponentsValidator.hpp" // i.e. there is an integer with variable name Z that can be found in // ValueStorage by the token "Z" -> first column: int, Z, "Z" // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value #define paramtypes (std::vector< unsigned int >)(Vector)(double)(double)(double)(double)(bool) #define paramtokens ("mesh-size")("mesh-offset")("min-distance")("tesselation-radius")("random-atom-displacement")("random-molecule-displacement")("DoRotate") #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") #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)) #define paramreferences (counts)(offset)(mindistance)(SphereRadius)(RandAtomDisplacement)(RandMoleculeDisplacement)(DoRotate) #define paramvalids \ (STLVectorValidator< std::vector< unsigned int > >(NDIM, NDIM)) \ (VectorZeroOneComponentsValidator()) \ (BoxLengthValidator()) \ (BoxLengthValidator()) \ (BoxLengthValidator()) \ (BoxLengthValidator()) \ (DummyValidator< bool >()) #define statetypes (std::vector)(std::vector)(std::vector)(std::vector) #define statereferences (clonedatoms)(clonedbonds)(movedatoms)(MovedToVector) // some defines for all the names, you may use ACTION, STATE and PARAMS #define CATEGORY Fill #define MENUNAME "fill" #define MENUPOSITION 1 #define ACTIONNAME RegularGrid #define TOKEN "fill-regular-grid" // finally the information stored in the ActionTrait specialization #define DESCRIPTION "\ fill the domain via a regularly sparsed grid of insertion points with the \ currently selected molecule. If atoms are selected, too, they are surrounded by \ a tesselated surface and only outside of the tesselation is filled." #undef SHORTFORM