| [208237b] | 1 | /* | 
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|  | 2 | * DipoleCorrelationAction.def | 
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|  | 3 | * | 
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|  | 4 | *  Created on: Aug 25, 2010 | 
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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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| [649aaa] | 12 | #include "Parameters/Validators/DummyValidator.hpp" | 
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| [23958d] | 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/RotationAngleValidator.hpp" | 
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| [649aaa] | 16 |  | 
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| [208237b] | 17 | // i.e. there is an integer with variable name Z that can be found in | 
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|  | 18 | // ValueStorage by the token "Z" -> first column: int, Z, "Z" | 
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| [6ba9ba] | 19 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value | 
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| [208237b] | 20 | #define paramtypes (double)(double)(double)(boost::filesystem::path)(boost::filesystem::path)(bool) | 
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|  | 21 | #define paramreferences (BinStart)(BinWidth)(BinEnd)(outputname)(binoutputname)(periodic) | 
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|  | 22 | #define paramtokens ("bin-start")("bin-width")("bin-end")("output-file")("bin-output-file")("periodic") | 
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|  | 23 | #define paramdescriptions ("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")("system is constraint to periodic boundary conditions") | 
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| [6ba9ba] | 24 | #define paramdefaults (NOPARAM_DEFAULT)(PARAM_DEFAULT(0.5))(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(NOPARAM_DEFAULT)(PARAM_DEFAULT(false)) | 
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| [23958d] | 25 | #define paramvalids \ | 
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|  | 26 | (RotationAngleValidator()) \ | 
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|  | 27 | (RotationAngleValidator()) \ | 
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|  | 28 | (RotationAngleValidator()) \ | 
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|  | 29 | (!FilePresentValidator()) \ | 
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|  | 30 | (!FilePresentValidator()) \ | 
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|  | 31 | (DummyValidator<bool>()) | 
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| [208237b] | 32 |  | 
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|  | 33 | // some defines for all the names, you may use ACTION, STATE and PARAMS | 
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|  | 34 | #define CATEGORY Analysis | 
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|  | 35 | #define MENUNAME "analysis" | 
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|  | 36 | #define MENUPOSITION 3 | 
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|  | 37 | #define ACTIONNAME DipoleCorrelation | 
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|  | 38 | #define TOKEN "dipole-correlation" | 
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|  | 39 |  | 
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|  | 40 | // finally the information stored in the ActionTrait specialization | 
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|  | 41 | #define DESCRIPTION "dipole orientation correlation analysis between molecules" | 
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|  | 42 | #undef SHORTFORM | 
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