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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10 | #include <string>
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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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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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22 | #define paramvalids \
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23 | (DummyValidator< bool >()) \
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24 | (DummyValidator< std::string >()) \
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25 | (DummyValidator< bool >())
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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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