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  • src/Actions/MoleculeAction/FillVoidWithMoleculeAction.def

    r6ba9ba rd6f886  
    88// all includes and forward declarations necessary for non-integral types below
    99#include "LinearAlgebra/Vector.hpp"
    10 
    11 #include "LinearAlgebra/defs.hpp"
    12 #include "Parameters/Validators/DummyValidator.hpp"
    13 #include "Parameters/Validators/Ops_Validator.hpp"
    14 #include "Parameters/Validators/Specific/BoxLengthValidator.hpp"
    15 #include "Parameters/Validators/Specific/BoxVectorValidator.hpp"
    16 #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
    17 #include "Parameters/Validators/Specific/ParserFileValidator.hpp"
     10class MoleculeListClass;
    1811
    1912// i.e. there is an integer with variable name Z that can be found in
    2013// ValueStorage by the token "Z" -> first column: int, Z, "Z"
    21 // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
     14// "undefine" if no parameters are required, use (NODEFAULT) for each (undefined) default value
    2215#define paramtypes (boost::filesystem::path)(Vector)(double)(double)(double)(double)(bool)
    2316#define paramtokens ("fill-void")("distances")("distance-to-molecule")("random-atom-displacement")("random-molecule-displacement")("distance-to-boundary")("DoRotate")
    2417#define paramdescriptions ("name of xyz file of filler molecule")("list of three of distances in space, one for each axis direction")("minimum distance to present molecules")("magnitude of random atom displacement")("magnitude of random molecule displacement")("minimum distance to boundary")("whether to rotate or not")
    25 #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(false))
     18#define paramdefaults (NODEFAULT)(NODEFAULT)("0.")("0.")("0.")("0.")("0")
    2619#define paramreferences (fillername)(distances)(boundary)(RandAtomDisplacement)(RandMoleculeDisplacement)(MinDistance)(DoRotate)
    27 #define paramvalids \
    28 (FilePresentValidator() && ParserFileValidator()) \
    29 (BoxVectorValidator()) \
    30 (BoxLengthValidator()) \
    31 (BoxLengthValidator()) \
    32 (BoxLengthValidator()) \
    33 (BoxLengthValidator()) \
    34 (DummyValidator< bool >())
    3520
    3621#define statetypes (std::vector<molecule *>)
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