FixbbSimAnnealer.hh

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//
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/// @file   core/pack/annealer/FixbbSimAnnealer.hh
/// @brief  Packer's standard annealer class declaration, originally written by Brian Kuhlman
/// and factored into base and derived classes by Jenny Hu.
/// @author Andrew Leaver-Fay (aleaverfay@gmail.com)

#ifndef INCLUDED_core_pack_annealer_FixbbSimAnnealer_hh
#define INCLUDED_core_pack_annealer_FixbbSimAnnealer_hh

// Unit Headers
#include <core/pack/annealer/FixbbSimAnnealer.fwd.hh>

// Package Headers
#include <core/pack/annealer/RotamerAssigningAnnealer.hh>

#include <core/pack/interaction_graph/InteractionGraphBase.fwd.hh>

#include <core/pack/rotamer_set/FixbbRotamerSets.fwd.hh>

#include <utility/vector0.hh>
#include <utility/vector1.hh>


namespace core {
namespace pack {
namespace annealer {

class FixbbSimAnnealer;

class FixbbSimAnnealer : public RotamerAssigningAnnealer
{
public:
  typedef interaction_graph::InteractionGraphBaseOP InteractionGraphBaseOP;

public:
  FixbbSimAnnealer(
    utility::vector0< int > & rot_to_pack,
    ObjexxFCL::FArray1D_int & bestrotamer_at_seqpos,
    core::PackerEnergy & bestenergy,
    bool start_with_current, // start simulation with current rotamers
    InteractionGraphBaseOP ig,
    FixbbRotamerSetsCOP rotamer_sets,
    ObjexxFCL::FArray1_int & current_rot_index,
    bool calc_rot_freq,
    ObjexxFCL::FArray1D< core::PackerEnergy > & rot_freq
  );

  FixbbSimAnnealer(
    ObjexxFCL::FArray1D_int & bestrotamer_at_seqpos,
    core::PackerEnergy & bestenergy,
    bool start_with_current, // start simulation with current rotamers
    InteractionGraphBaseOP ig,
    FixbbRotamerSetsCOP rotamer_sets,
    ObjexxFCL::FArray1_int & current_rot_index,
    bool calc_rot_freq,
    ObjexxFCL::FArray1D< core::PackerEnergy > & rot_freq
  );

  virtual ~FixbbSimAnnealer();
  void run();

 private:
  InteractionGraphBaseOP ig_;
  FixbbSimAnnealer(const FixbbSimAnnealer& rhs);
};

}//end namespace annealer
}//end namespace pack
}//end namespace core

#endif