Fix_FitPartialCharges
      
      
        
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            Last change
 on this file since eb40e3 was             47cee7, checked in by Frederik Heber <heber@…>, 12 years ago           | 
        
        
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Writing out energy file with value and contribution per index set 
 
- placed in printReceivedShortResultsPerIndex().
 - added writeIndexedTable which writes per indexset not per level.
 - HeaderPrinter is not initialized with some string anymore.
 - ValuePrinter does not write the level anymore.
 - these are now done in write(Indexed)Table.
 - TESTFIX: Added BondFragment_IndexedEnergy.dat diff to regression tests.
  
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Property                 mode
 set to                 
100644
               
             
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            File size:
            1.1 KB
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| [20b3df] | 1 | /*
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 | 2 |  * HeaderPrinter.hpp
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 | 3 |  *
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 | 4 |  *  Created on: Aug 3, 2012
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 | 5 |  *      Author: heber
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 | 6 |  */
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 | 7 | 
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 | 8 | #ifndef HEADERPRINTER_HPP_
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 | 9 | #define HEADERPRINTER_HPP_
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 | 10 | 
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 | 11 | 
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 | 12 | // include config.h
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 | 13 | #ifdef HAVE_CONFIG_H
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 | 14 | #include <config.h>
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 | 15 | #endif
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 | 16 | 
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 | 17 | #include <boost/fusion/sequence.hpp>
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 | 18 | #include <string>
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 | 19 | 
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 | 20 | #include "Fragmentation/Summation/printKeyNames.hpp"
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 | 21 | 
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 | 22 | /** HeaderPrinter prints the header for a table of values each associated to a
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 | 23 |  * specific boost::fusion-style key \a MapKey.
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 | 24 |  *
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 | 25 |  * We require the printName() function
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 | 26 |  * specialized for each \a MapKey to print the name for this value.
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 | 27 |  *
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 | 28 |  * This is made such that we may use boost::mpl::for_each to quickly create
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 | 29 |  * the header line if specialized printName()s and a boost::fusion::vector
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 | 30 |  * containing all these keys is present
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 | 31 |  */
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 | 32 | struct HeaderPrinter {
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| [47cee7] | 33 |   HeaderPrinter(const std::string _suffix = std::string("")) :
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 | 34 |     header(""),
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 | 35 |     suffix(_suffix)
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| [20b3df] | 36 |   {}
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 | 37 | 
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 | 38 |   template <typename MapKey>
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 | 39 |   void operator()(MapKey &) {
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| [47cee7] | 40 |     header += std::string("\t") + printKeyNames::printName<MapKey>() + suffix;
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| [20b3df] | 41 |   }
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 | 42 | 
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 | 43 |   const std::string &get() const {
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 | 44 |     return header;
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 | 45 |   }
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 | 46 | 
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 | 47 | private:
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 | 48 |   std::string header;
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| [47cee7] | 49 |   std::string suffix;
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| [20b3df] | 50 | };
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 | 51 | 
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 | 52 | 
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 | 53 | #endif /* HEADERPRINTER_HPP_ */
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