| [a3427f] | 1 | /* | 
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|  | 2 | * AnalyseFragmentationResultsAction.def | 
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|  | 3 | * | 
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|  | 4 | *  Created on: Mar 8, 2013 | 
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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 <boost/filesystem/path.hpp> | 
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| [0588e9] | 10 | #include <string> | 
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| [a3427f] | 11 |  | 
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|  | 12 | #include "Parameters/Validators/DummyValidator.hpp" | 
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|  | 13 |  | 
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|  | 14 | // i.e. there is an integer with variable name Z that can be found in | 
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|  | 15 | // ValueStorage by the token "Z" -> first column: int, Z, "Z" | 
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|  | 16 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value | 
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| [d203350] | 17 | #define paramtypes (bool)(std::string)(bool) | 
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|  | 18 | #define paramtokens ("store-grids")("fragment-prefix")("UseImplicitCharges") | 
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|  | 19 | #define paramdescriptions ("whether to store sampled grids in homology files")("prefix of each fragment file")("whether to model any non-selected atoms by partial charges implicitly") | 
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|  | 20 | #define paramdefaults (PARAM_DEFAULT("0"))(PARAM_DEFAULT("BondFragment"))(PARAM_DEFAULT("0")) | 
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|  | 21 | #define paramreferences (DoStoreGrids)(prefix)(UseImplicitCharges) | 
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| [a3427f] | 22 | #define paramvalids \ | 
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| [0588e9] | 23 | (DummyValidator< bool >()) \ | 
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| [666e9e] | 24 | (DummyValidator< std::string >()) \ | 
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|  | 25 | (DummyValidator< bool >()) | 
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| [a3427f] | 26 |  | 
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|  | 27 | #undef statetypes | 
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|  | 28 | #undef statereferences | 
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|  | 29 |  | 
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|  | 30 | // some defines for all the names, you may use ACTION, STATE and PARAMS | 
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|  | 31 | #define CATEGORY Fragmentation | 
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|  | 32 | #define MENUNAME "fragmentation" | 
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|  | 33 | #define MENUPOSITION 4 | 
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|  | 34 | #define ACTIONNAME AnalyseFragmentationResults | 
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|  | 35 | #define TOKEN "analyse-fragment-results" | 
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|  | 36 |  | 
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|  | 37 |  | 
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|  | 38 | // finally the information stored in the ActionTrait specialization | 
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|  | 39 | #define DESCRIPTION "analyses previously calculated results" | 
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|  | 40 | #undef SHORTFORM | 
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