| [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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