Candidate_v1.7.0
        stable
      
      
        
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            Last change
 on this file since 38bcbe was             2affd1, checked in by Frederik Heber <heber@…>, 10 years ago           | 
        
        
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Removed molecules_deprecated from World and unnecessary includes of MoleculeListClass and all insert/erase. 
 
- this goes along the lines of removing "remove me when we don't need
MoleculeCistClass anymore".
  
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            File size:
            1.2 KB
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| 1 | /*
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| 2 |  * SaveAdjacencyAction.def
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| 3 |  *
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| 4 |  *  Created on: Aug 26, 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 "Parameters/Validators/Ops_Validator.hpp"
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| 10 | #include "Parameters/Validators/Specific/FilePresentValidator.hpp"
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| 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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| 15 | #define paramtypes (boost::filesystem::path)
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| 16 | #define paramtokens ("save-adjacency")
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| 17 | #define paramdescriptions ("name of the adjacency file to write to")
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| 18 | #undef paramdefaults
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| 19 | #define paramreferences (adjacencyfile)
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| 20 | #define paramvalids \
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| 21 | (!FilePresentValidator())
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| 22 | 
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| 23 | #undef statetypes
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| 24 | #undef statereferences
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| 25 | 
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| 26 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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| 27 | #define CATEGORY Molecule
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| 28 | #define MENUNAME "molecule"
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| 29 | #define MENUPOSITION 10
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| 30 | #define ACTIONNAME SaveAdjacency
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| 31 | #define TOKEN "save-adjacency"
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| 32 | 
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| 33 | 
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| 34 | // finally the information stored in the ActionTrait specialization
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| 35 | #define DESCRIPTION "store adjacency of each atom to file"
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| 36 | #define SHORTFORM "J"
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