RRComparerAutomorphicRMSD.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 src/protocols/rotamer_recovery/RRComparerAutomorphicRMSD.hh
/// @author Matthew O'Meara (mattjomeara@gmail.com)

#ifndef INCLUDED_protocols_rotamer_recovery_RRComparerAutomorphicRMSD_hh
#define INCLUDED_protocols_rotamer_recovery_RRComparerAutomorphicRMSD_hh

// Unit Headers
#include <protocols/rotamer_recovery/RRComparer.hh>
#include <protocols/rotamer_recovery/RRComparerAutomorphicRMSD.fwd.hh>


// Project Headers
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>

// Utility headers
#include <utility/pointer/ReferenceCount.hh>

// C++ Headers
// AUTO-REMOVED #include <ostream>

#include <utility/vector1.hh>


namespace protocols {
namespace rotamer_recovery {


class RRComparerAutomorphicRMSD : public RRComparer {

public: // constructors destructors

  RRComparerAutomorphicRMSD();

  ~RRComparerAutomorphicRMSD();

  RRComparerAutomorphicRMSD( RRComparerAutomorphicRMSD const & );

public: // public interface

  virtual
  std::string
  get_name() const;

  virtual
  std::string
  get_parameters() const;

  virtual
  bool
  measure_rotamer_recovery(
    core::pose::Pose const & pose1,
    core::pose::Pose const & pose2,
    core::conformation::Residue const & res1,
    core::conformation::Residue const & res2,
    core::Real & score,
    bool & recovered);

  virtual
  void
  set_include_backbone_atoms(
    bool const include_backbone_atoms
  );

  virtual
  bool
  get_include_backbone_atoms() const;

  virtual
  void
  set_recovery_threshold(
    core::Real const recovery_threshold
  );

  virtual
  core::Real
  get_recovery_threshold() const;

private: // data members

  bool include_backbone_atoms_;
  core::Real recovery_threshold_;

};

} // rotamer_recovery
} // protocols

#endif // include guard