Action_Thermostats
        Add_AtomRandomPerturbation
        Add_FitFragmentPartialChargesAction
        Add_RotateAroundBondAction
        Add_SelectAtomByNameAction
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        AddingActions_SaveParseParticleParameters
        Adding_Graph_to_ChangeBondActions
        Adding_MD_integration_tests
        Adding_ParticleName_to_Atom
        Adding_StructOpt_integration_tests
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        Automaking_mpqc_open
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        CombiningParticlePotentialParsing
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        Enhanced_StructuralOptimization
        Enhanced_StructuralOptimization_continued
        Example_ManyWaysToTranslateAtom
        Exclude_Hydrogens_annealWithBondGraph
        FitPartialCharges_GlobalError
        Fix_BoundInBox_CenterInBox_MoleculeActions
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        Fix_ChronosMutex
        Fix_FitPartialCharges
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        Fix_ForceAnnealing
        Fix_IndependentFragmentGrids
        Fix_ParseParticles
        Fix_ParseParticles_split_forward_backward_Actions
        Fix_PopActions
        Fix_QtFragmentList_sorted_selection
        Fix_Restrictedkeyset_FragmentMolecule
        Fix_StatusMsg
        Fix_StepWorldTime_single_argument
        Fix_Verbose_Codepatterns
        Fix_fitting_potentials
        Fixes
        ForceAnnealing_goodresults
        ForceAnnealing_oldresults
        ForceAnnealing_tocheck
        ForceAnnealing_with_BondGraph
        ForceAnnealing_with_BondGraph_continued
        ForceAnnealing_with_BondGraph_continued_betteresults
        ForceAnnealing_with_BondGraph_contraction-expansion
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        FragmentMolecule_checks_bonddegrees
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        Gui_displays_atomic_force_velocity
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        IndependentFragmentGrids_IndividualZeroInstances
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        PdbParser_setsAtomName
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        SaturateAtoms_singleDegree
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        Subpackage_JobMarket
        Subpackage_LinearAlgebra
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        Subpackage_mpqc_open
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        TremoloParser_IncreasedPrecision
        TremoloParser_MultipleTimesteps
        TremoloParser_setsAtomName
        Ubuntu_1604_changes
        stable
      
      
        
          | 
            Last change
 on this file since c56922 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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100644
               
             
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          | 
            File size:
            1.3 KB
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| Line |   | 
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| 1 | /*
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| 2 |  * ValuePrinter.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 VALUEPRINTER_HPP_
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| 9 | #define VALUEPRINTER_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/container/map.hpp>
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| 18 | #include <iomanip>
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| 19 | #include <sstream>
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| 20 | #include <string>
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| 21 | 
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| 22 | #include "CodePatterns/toString.hpp"
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| 23 | 
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| 24 | /** ValuePrinter prints the value for one row in a table of values each associated to a
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| 25 |  * specific boost::fusion-style key \a MapKey.
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| 26 |  *
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| 27 |  * This is made such that we may use boost::mpl::for_each to quickly create
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| 28 |  * the value line if specialized printName()s and a boost::fusion::vector
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| 29 |  * containing all these keys is present
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| 30 |  */
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| 31 | template <typename MapType, int numprecision=5>
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| 32 | struct ValuePrinter {
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| 33 |   ValuePrinter(const MapType &_instance) :
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| 34 |     instance(_instance),
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| 35 |     value("")
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| 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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| 40 |     //typedef typename boost::fusion::result_of::value_at_key<MapType, MapKey>::type MapValue;
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| 41 |     std::stringstream valuestream;
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| 42 |     valuestream << std::setprecision(numprecision) << boost::fusion::at_key<MapKey>(instance);
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| 43 |     value += std::string("\t") + valuestream.str();
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| 44 |   }
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| 45 | 
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| 46 |   const std::string &get() const {
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| 47 |     return value;
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| 48 |   }
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| 49 | 
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| 50 | private:
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| 51 |   const MapType &instance;
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| 52 |   std::string value;
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| 53 | };
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| 54 | 
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| 55 | 
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| 56 | #endif /* VALUEPRINTER_HPP_ */
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