MedalExchangeMover.hh

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
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/// @file protocols/medal/MedalExchangeMover.hh
/// @author Christopher Miles (cmiles@uw.edu)

#ifndef INCLUDED_PROTOCOLS_MEDAL_MEDALEXCHANGEMOVER_HH
#define INCLUDED_PROTOCOLS_MEDAL_MEDALEXCHANGEMOVER_HH

// Unit header
#include <protocols/medal/MedalExchangeMover.fwd.hh>

// C/C++ headers
#include <string>

// Utility headers
#include <utility/vector1.fwd.hh>

// Project headers
#include <core/types.hh>
#include <core/fragment/FragSet.fwd.hh>
#include <core/fragment/SecondaryStructure.fwd.hh>
#include <core/kinematics/FoldTree.fwd.hh>
#include <core/pose/Pose.fwd.hh>
#include <protocols/loops/Loops.fwd.hh>
#include <protocols/moves/Mover.hh>

namespace protocols {
namespace medal {

class MedalExchangeMover : public protocols::moves::Mover {
 public:
  MedalExchangeMover();
  void apply(core::pose::Pose& pose);

  /// @brief Uses the copy constructor to create a new instance
  protocols::moves::MoverOP clone() const;

  /// @brief Uses the no-argument constructor to create a new instance
  protocols::moves::MoverOP fresh_instance() const;

  /// @brief Returns the name of this mover
  std::string get_name() const;

 private:
  /// @brief Computes the probability of selecting each residue as a candidate
  /// for fragment insertion. P(unaligned) = 0, P(aligned) > 0.
  void setup_sampling_probs(core::Size num_residues,
                            const core::kinematics::FoldTree& tree,
                            protocols::loops::LoopsCOP aligned,
                            utility::vector1<double>* probs) const;

  core::fragment::FragSetOP fragments_;
  core::fragment::SecondaryStructureOP pred_ss_;
};

}  // namespace medal
}  // namespace protocols

#endif  // PROTOCOLS_MEDAL_MEDAL_EXCHANGE_MOVER_HH_