Action_Thermostats
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        Add_FitFragmentPartialChargesAction
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        Added_ParseSaveFragmentResults
        AddingActions_SaveParseParticleParameters
        Adding_Graph_to_ChangeBondActions
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        Adding_StructOpt_integration_tests
        AtomFragments
        Automaking_mpqc_open
        AutomationFragmentation_failures
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        Candidate_v1.6.0
        Candidate_v1.6.1
        Candidate_v1.7.0
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        Debian_Package_split
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        EmpiricalPotential_contain_HomologyGraph_documentation
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        Example_ManyWaysToTranslateAtom
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        FitPartialCharges_GlobalError
        Fix_BoundInBox_CenterInBox_MoleculeActions
        Fix_ChargeSampling_PBC
        Fix_ChronosMutex
        Fix_FitPartialCharges
        Fix_FitPotential_needs_atomicnumbers
        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
        FragmentAction_writes_AtomFragments
        FragmentMolecule_checks_bonddegrees
        GeometryObjects
        Gui_Fixes
        Gui_displays_atomic_force_velocity
        ImplicitCharges
        IndependentFragmentGrids
        IndependentFragmentGrids_IndividualZeroInstances
        IndependentFragmentGrids_IntegrationTest
        IndependentFragmentGrids_Sole_NN_Calculation
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        JobMarket_unresolvable_hostname_fix
        MoreRobust_FragmentAutomation
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        Recreated_GuiChecks
        Rewrite_FitPartialCharges
        RotateToPrincipalAxisSystem_UndoRedo
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        Subpackage_LinearAlgebra
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        TremoloParser_IncreasedPrecision
        TremoloParser_MultipleTimesteps
        TremoloParser_setsAtomName
        Ubuntu_1604_changes
        stable
      
      
        
          | 
            Last change
 on this file since 8927ae was             fb73b8, checked in by Frederik Heber <heber@…>, 16 years ago           | 
        
        
          | 
             
class config, ConfigFileBuffer, periodentafel and Vector are refactored with respect to ticket #38, #4 and #39. 
 
- <type> * const ptr ... means the pointer itself is const (not its contents that he points at).
 - const <type> * ptr ... means the pointer's content is const.
 - "ofstream *out" ... can be changed to "ofstream * const out" (pointer is constant, not output).
 
 
Signed-off-by: Frederik Heber <heber@…> 
 
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            File size:
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| Rev | Line |   | 
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| [68cb0f] | 1 | #ifndef PERIODENTAFEL_HPP_
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 | 2 | #define PERIODENTAFEL_HPP_
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 | 3 | 
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 | 4 | using namespace std;
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 | 5 | 
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| [f66195] | 6 | /*********************************************** includes ***********************************/
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 | 7 | 
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| [68cb0f] | 8 | // include config.h
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 | 9 | #ifdef HAVE_CONFIG_H
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 | 10 | #include <config.h>
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 | 11 | #endif
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 | 12 | 
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| [cd4ccc] | 13 | #include <iostream>
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| [68cb0f] | 14 | 
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| [cd4ccc] | 15 | #include "defs.hpp"
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| [68cb0f] | 16 | 
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| [f66195] | 17 | /****************************************** forward declarations *****************************/
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 | 18 | 
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 | 19 | class element;
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 | 20 | 
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 | 21 | /********************************************** declarations *******************************/
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| [6ac7ee] | 22 | 
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| [68cb0f] | 23 | 
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 | 24 | /** Periodentafel is a list of all elements sorted by their atomic number.
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 | 25 |  */
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 | 26 | class periodentafel {
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| [042f82] | 27 |   public:
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 | 28 |     element *start; //!< start of element list
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 | 29 |     element *end;   //!< end of element list
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 | 30 |     char header1[MAXSTRINGSIZE]; //!< store first header line
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 | 31 |     char header2[MAXSTRINGSIZE]; //!< store second header line
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| [6ac7ee] | 32 | 
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| [042f82] | 33 |   periodentafel();
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 | 34 |   ~periodentafel();
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| [6ac7ee] | 35 | 
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| [fb73b8] | 36 |   bool AddElement(element * const pointer);
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 | 37 |   bool RemoveElement(element * const pointer);
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| [042f82] | 38 |   bool CleanupPeriodtable();
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| [fb73b8] | 39 |   element * const FindElement(const int Z) const;
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 | 40 |   element * const FindElement(const char * const shorthand) const;
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 | 41 |   element * const AskElement() const;
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 | 42 |   element * const EnterElement();
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 | 43 |   bool Output(ofstream * const output) const;
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 | 44 |   bool Checkout(ofstream * const output, const int * const checkliste) const;
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 | 45 |   bool LoadPeriodentafel(const char * const path);
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 | 46 |   bool StorePeriodentafel(const char * const path) const;
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| [6ac7ee] | 47 | 
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| [042f82] | 48 |   private:
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| [68cb0f] | 49 | };
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 | 50 | 
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 | 51 | 
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 | 52 | #endif /*PERIODENTAFEL_HPP_*/
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