stable
        v1.7.0
      
      
        
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            Last change
 on this file was             463bfb, checked in by Frederik Heber <frederik.heber@…>, 3 months ago           | 
        
        
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FIX: SaturateAction had typo in default. 
 
- this originated in 2390e63956.
  
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            File size:
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| [2fcef3] | 1 | /*
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 | 2 |  * SaturateAction.def
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 | 3 |  *
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 | 4 |  *  Created on: Jan 26, 2015
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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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| [2390e6] | 9 | 
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 | 10 | #include "Parameters/Validators/DummyValidator.hpp"
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| [2fcef3] | 11 | 
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 | 12 | // i.e. there is an integer with variable name Z that can be found in
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 | 13 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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 | 14 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| [2390e6] | 15 | #define paramtypes (bool)
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 | 16 | #define paramtokens ("use-outer-shell")
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 | 17 | #define paramdescriptions ("whether to just look at valencies (false) or take the occupancy of the outer shell into account (true) for the polyhedra")
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 | 18 | #define paramreferences (useOuterShell)
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| [463bfb] | 19 | #define paramdefaults (PARAM_DEFAULT(0))
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| [2390e6] | 20 | #define paramvalids (DummyValidator<bool>())
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| [2fcef3] | 21 | 
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 | 22 | #define statetypes (std::vector<AtomicInfo>)
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 | 23 | #define statereferences (addedHydrogens)
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 | 24 | 
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 | 25 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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 | 26 | #define CATEGORY Atom
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 | 27 | #define MENUNAME "atom"
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 | 28 | #define MENUPOSITION 4
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 | 29 | #define ACTIONNAME Saturate
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 | 30 | #define TOKEN "saturate-atoms"
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 | 31 | 
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 | 32 | 
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 | 33 | // finally the information stored in the ActionTrait specialization
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 | 34 | #define DESCRIPTION "saturate all selected atoms by adding hydrogens at the typical distance"
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 | 35 | #undef SHORTFORM
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