Candidate_v1.7.0
        stable
      
      
        
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            Last change
 on this file since bcc29ca was             f01769, checked in by Frederik Heber <heber@…>, 10 years ago           | 
        
        
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Replaced World::getAtom() wherever possible by const version. 
 
- some AtomSet member functions now have const atom ptr instead of atom ptr.
 - molecule can return const and non-const AtomSet.
 - added FromIdToConstAtom to allow iterate through atoms in molecule (which
are stored by id, not by ptr) in const fashion.
 - in molecule::isInMolecule() is now const, ::CopyMolecule..() is non-const
(because copying involves father atom who is stored non-const).
  
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            File size:
            1.4 KB
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| [1fd675] | 1 | /*
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 | 2 |  * RepeatBoxAction.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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| [45f835] | 9 | #include "LinearAlgebra/RealSpaceMatrix.hpp"
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 | 10 | #include <set>
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| [e1f414] | 11 | #include <vector>
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| [45f835] | 12 | 
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 | 13 | class molecule;
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| [1fd675] | 14 | 
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| [23958d] | 15 | #include "LinearAlgebra/defs.hpp"
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| [649aaa] | 16 | #include "Parameters/Validators/DummyValidator.hpp"
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| [23958d] | 17 | #include "Parameters/Validators/STLVectorValidator.hpp"
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| [649aaa] | 18 | 
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| [1fd675] | 19 | // i.e. there is an integer with variable name Z that can be found in
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 | 20 | // ValueStorage by the token "Z" -> first column: int, Z, "Z"
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| [6ba9ba] | 21 | // "undefine" if no parameters are required, use (NOPARAM_DEFAULT) for each (undefined) default value
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| [e1f414] | 22 | #define paramtypes (std::vector< unsigned int >)
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| [d57341] | 23 | #define paramtokens ("repeat-box")
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| [e4afb4] | 24 | #define paramdescriptions ("number of copies to create per axis")
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 | 25 | #undef paramdefaults
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| [1fd675] | 26 | #define paramreferences (Repeater)
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| [23958d] | 27 | #define paramvalids \
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 | 28 | (STLVectorValidator< std::vector< unsigned int > >(NDIM, NDIM))
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| [1fd675] | 29 | 
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| [f01769] | 30 | #define statetypes (RealSpaceMatrix)(std::set< molecule *>)
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| [45f835] | 31 | #define statereferences (olddomain)(oldmolecules)
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| [1fd675] | 32 | 
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 | 33 | // some defines for all the names, you may use ACTION, STATE and PARAMS
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 | 34 | #define CATEGORY World
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| [052bfd8] | 35 | #define MENUNAME "world"
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 | 36 | #define MENUPOSITION 8
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| [1fd675] | 37 | #define ACTIONNAME RepeatBox
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 | 38 | #define TOKEN "repeat-box"
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 | 39 | 
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| [24fbf3] | 40 | 
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 | 41 | // finally the information stored in the ActionTrait specialization
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 | 42 | #define DESCRIPTION "create periodic copies of the simulation box per axis"
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 | 43 | #define SHORTFORM "d"
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