| 1 | /*
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| 2 | * DipoleAngularCorrelationAction.def
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| 3 | *
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| 4 | * Created on: Feb 11, 2011
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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 <string>
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| 10 | #include <vector>
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| 11 |
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| 12 | #include "Parameters/Validators/DummyValidator.hpp"
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| 13 | #include "Parameters/Validators/Ops_Validator.hpp"
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| 14 | #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
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| 15 | #include "Parameters/Validators/Specific/FormulaValidator.hpp"
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| 16 | #include "Parameters/Validators/Specific/RotationAngleValidator.hpp"
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| 17 | #include "Parameters/Validators/Specific/TimeStepPresentValidator.hpp"
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| 18 |
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| 19 | // i.e. there is an integer with variable name Z that can be found in
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| 20 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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| 21 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| 22 | #define paramtypes (std::string)(double)(double)(double)(boost::filesystem::path)(boost::filesystem::path)(unsigned int)
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| 23 | #define paramreferences (DipoleFormula)(BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(timestepzero)
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| 24 | #define paramtokens ("dipole-angular-correlation")("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("time-step-zero")
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| 25 | #define paramdescriptions ("formula of molecules to calculate dipole of")("start of the first bin")("width of the bins")("start of the last bin")("name of the output file")("name of the bin output file")("initial time step to correlate following ones against")
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| 26 | #define paramdefaults (NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0.5))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(0))
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| 27 | #define paramvalids \
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| 28 | (FormulaValidator()) \
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| 29 | (RotationAngleValidator()) \
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| 30 | (RotationAngleValidator()) \
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| 31 | (RotationAngleValidator()) \
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| 32 | (!FilePresentValidator()) \
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| 33 | (!FilePresentValidator()) \
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| 34 | (TimeStepPresentValidator())
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| 35 |
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| 36 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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| 37 | #define CATEGORY Analysis
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| 38 | #define MENUNAME "analysis"
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| 39 | #define MENUPOSITION 3
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| 40 | #define ACTIONNAME DipoleAngularCorrelation
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| 41 | #define TOKEN "dipole-angular-correlation"
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| 42 |
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| 43 | // finally the information stored in the ActionTrait specialization
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| 44 | #define DESCRIPTION "dipole angular correlation analysis between molecules"
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| 45 | #undef SHORTFORM
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