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        Add_AtomRandomPerturbation
        Add_SelectAtomByNameAction
        Adding_Graph_to_ChangeBondActions
        Adding_MD_integration_tests
        Adding_StructOpt_integration_tests
        AutomationFragmentation_failures
        Candidate_v1.6.1
        Candidate_v1.7.0
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        EmpiricalPotential_contain_HomologyGraph_documentation
        Enhance_userguide
        Enhanced_StructuralOptimization
        Enhanced_StructuralOptimization_continued
        Example_ManyWaysToTranslateAtom
        Exclude_Hydrogens_annealWithBondGraph
        Fix_Verbose_Codepatterns
        ForceAnnealing_oldresults
        ForceAnnealing_with_BondGraph
        ForceAnnealing_with_BondGraph_continued
        ForceAnnealing_with_BondGraph_continued_betteresults
        ForceAnnealing_with_BondGraph_contraction-expansion
        GeometryObjects
        Gui_displays_atomic_force_velocity
        IndependentFragmentGrids_IntegrationTest
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        QtGui_reactivate_TimeChanged_changes
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        StoppableMakroAction
        TremoloParser_IncreasedPrecision
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        stable
      
      
        
          | 
            Last change
 on this file since 48eab8 was             47cee7, checked in by Frederik Heber <heber@…>, 12 years ago           | 
        
        
          | 
             
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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          | 
            File size:
            1.7 KB
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| Rev | Line |   | 
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| [27afbf] | 1 | /*
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 | 2 |  * writeTable.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 WRITETABLE_HPP_
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 | 9 | #define WRITETABLE_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/mpl/for_each.hpp>
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 | 18 | 
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 | 19 | #include <string>
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 | 20 | #include <sstream>
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 | 21 | #include <vector>
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 | 22 | 
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 | 23 | #include "Fragmentation/Summation/HeaderPrinter.hpp"
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 | 24 | #include "Fragmentation/Summation/ValuePrinter.hpp"
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 | 25 | 
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 | 26 | /** Templated functor to write from a given vector of summed up results the
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 | 27 |  * table with decent header line.
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 | 28 |  *
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 | 29 |  * @param results vector of results of MapType
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 | 30 |  * @param MaxLevel print values up till this level
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 | 31 |  * @return string of the resulting table
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 | 32 |  */
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 | 33 | template <typename MapType, typename VectorType, int numprecision=10>
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 | 34 | struct writeTable{
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 | 35 |   std::string operator()(const std::vector<MapType> &results, const size_t MaxLevel, const size_t StartLevel=1)
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 | 36 |   {
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 | 37 |     std::stringstream resultstream;
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| [bf12d1] | 38 | 
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 | 39 |     /// create header line for energy
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| [47cee7] | 40 |     resultstream << "level";
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 | 41 |     HeaderPrinter header;
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| [27afbf] | 42 |     boost::mpl::for_each<VectorType>(boost::ref(header));
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 | 43 |     resultstream << header.get() << std::endl;
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 | 44 | 
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| [bf12d1] | 45 |     /// print values per line
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 | 46 |     if (MaxLevel >= StartLevel) {
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 | 47 |       ASSERT( results.size() >= (MaxLevel-StartLevel),
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 | 48 |           "writeTable<M,V>() - results has insufficient size.");
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 | 49 |       for (size_t level = StartLevel; level <= MaxLevel; ++level) {
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| [47cee7] | 50 |         resultstream << level;
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 | 51 |         ValuePrinter<MapType, numprecision> values(results[level-1]);
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| [bf12d1] | 52 |         boost::mpl::for_each<VectorType>(boost::ref(values));
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 | 53 |         resultstream << values.get() << std::endl;
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 | 54 |       }
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 | 55 |     } else {
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 | 56 |       ELOG(2, "writeTable does not output as MaxLevel(" << MaxLevel
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 | 57 |           << ") < StartLevel(" << StartLevel << ".");
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| [27afbf] | 58 |     }
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 | 59 |     return resultstream.str();
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 | 60 |   }
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 | 61 | };
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 | 62 | 
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 | 63 | 
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 | 64 | #endif /* WRITETABLE_HPP_ */
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