Action_Thermostats
        Add_AtomRandomPerturbation
        Add_SelectAtomByNameAction
        Adding_Graph_to_ChangeBondActions
        Adding_MD_integration_tests
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        Candidate_v1.6.1
        Candidate_v1.7.0
        ChangeBugEmailaddress
        ChemicalSpaceEvaluator
        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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        PythonUI_with_named_parameters
        QtGui_reactivate_TimeChanged_changes
        Recreated_GuiChecks
        StoppableMakroAction
        TremoloParser_IncreasedPrecision
        TremoloParser_MultipleTimesteps
        stable
      
      
        
          | 
            Last change
 on this file since 987145 was             9e1d01, checked in by Frederik Heber <heber@…>, 14 years ago           | 
        
        
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Added CopyAtoms structure. 
 
- this creates a copy of a vector of atoms with as much depth as desired by
the user.
 - this is a hierarchy of functors that each add additional functionality such
as also re-creating the bonds, ...
  
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            File size:
            1004 bytes
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| Rev | Line |   | 
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| [9e1d01] | 1 | /*
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 | 2 |  * CopyAtoms_Simple.hpp
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 | 3 |  *
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 | 4 |  *  Created on: Mar 17, 2012
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 | 5 |  *      Author: heber
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 | 6 |  */
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 | 7 | 
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 | 8 | #ifndef COPYATOMS_SIMPLE_HPP_
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 | 9 | #define COPYATOMS_SIMPLE_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 <algorithm>
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 | 18 | #include <boost/bind.hpp>
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 | 19 | 
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 | 20 | #include "Atom/atom.hpp"
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 | 21 | #include "Atom/CopyAtoms/CopyAtomsInterface.hpp"
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 | 22 | 
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 | 23 | /** This is an implementation of CopyAtomsInterface that simply copies each atom.
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 | 24 |  *
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 | 25 |  */
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 | 26 | class CopyAtoms_Simple : public CopyAtomsInterface
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 | 27 | {
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 | 28 | public:
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 | 29 |   /** Destructor.
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 | 30 |    *
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 | 31 |    */
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 | 32 |   virtual ~CopyAtoms_Simple()
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 | 33 |   {}
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 | 34 | 
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 | 35 |   /** This operator simply copies all the atoms in \a CopyAtomsInterface::atoms and
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 | 36 |    * translates them to the same position.
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 | 37 |    *
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 | 38 |    * @param _atoms atoms to copy
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 | 39 |    */
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 | 40 |   virtual void operator()(const AtomVector &_atoms)
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 | 41 |   {
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 | 42 |     CopyAtomsInterface::operator()(_atoms);
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 | 43 | 
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 | 44 |     // copy each atom
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 | 45 |     std::transform(_atoms.begin(), _atoms.end(), CopiedAtoms.begin(),
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 | 46 |         boost::bind(&atom::clone, _1) );
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 | 47 |   }
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 | 48 | };
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 | 49 | 
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 | 50 | 
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 | 51 | #endif /* COPYATOMS_SIMPLE_HPP_ */
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