source: src/Actions/FillAction/SuspendInMoleculeAction.def@ 601ef8

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Last change on this file since 601ef8 was aa55d0, checked in by Frederik Heber <heber@…>, 11 years ago

Moved and renamed SuspendInWaterAction from Molecule.. to FillAction/SuspendInMoleculeAction.
  • Property mode set to 100644
File size: 2.3 KB
Line 
1/*
2 * SuspendInMoleculeAction.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#include <limits>
10#include <vector>
11#include "Atom/AtomicInfo.hpp"
12#include "Bond/BondInfo.hpp"
13#include "types.hpp"
14
15#include "LinearAlgebra/defs.hpp"
16#include "Parameters/Validators/DummyValidator.hpp"
17#include "Parameters/Validators/RangeValidator.hpp"
18#include "Parameters/Validators/STLVectorValidator.hpp"
19#include "Parameters/Validators/Specific/BoxLengthValidator.hpp"
20#include "Parameters/Validators/Specific/VectorZeroOneComponentsValidator.hpp"
21
22// i.e. there is an integer with variable name Z that can be found in
23// ValueStorage by the token "Z" -> first column: int, Z, "Z"
24// "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
25#define paramtypes (double)(double)(double)(double)(bool)
26#define paramtokens ("density")("min-distance")("random-atom-displacement")("random-molecule-displacement")("DoRotate")
27#define paramdescriptions ("desired density for the total domain")("minimum distance of water molecules to present atoms")("magnitude of random atom displacement")("magnitude of random molecule displacement")("whether to rotate or not")
28#define paramdefaults (PARAM_DEFAULT(1.))(PARAM_DEFAULT(1.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(0.))(PARAM_DEFAULT(false))
29#define paramreferences (density)(mindistance)(RandAtomDisplacement)(RandMoleculeDisplacement)(DoRotate)
30#define paramvalids \
31(RangeValidator< double >(0., std::numeric_limits<double>::max())) \
32(BoxLengthValidator()) \
33(BoxLengthValidator()) \
34(BoxLengthValidator()) \
35(DummyValidator< bool >())
36
37#define statetypes (std::vector<AtomicInfo>)(std::vector<BondInfo>)(std::vector<AtomicInfo>)(std::vector<Vector>)
38#define statereferences (clonedatoms)(clonedbonds)(movedatoms)(MovedToVector)
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 SuspendInMolecule
45#define TOKEN "suspend-in-molecule"
46
47// finally the information stored in the ActionTrait specialization
48#define DESCRIPTION "\
49suspend the simulation domain with already present molecules in the one \
50selected molecule (must be sphere- or cube-like) such that in the domain the \
51mean density is as specified"
52#define SHORTFORM "u"
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