MotifHit.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.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
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/// @file MotifHit.hh
/// @brief Class declaration for class that holds information about a motif in the context of the search
/// @author sthyme (sthyme@gmail.com)

#ifndef INCLUDED_protocols_motifs_MotifHit_hh
#define INCLUDED_protocols_motifs_MotifHit_hh

// Unit Headers
#include <protocols/motifs/MotifHit.fwd.hh>

// Package Headers
#include <protocols/motifs/Motif.fwd.hh>

// Project Headers
#include <core/conformation/Residue.fwd.hh>
// AUTO-REMOVED #include <core/pack/rotamer_set/RotamerSet.fwd.hh>
#include <core/types.hh>

// Utility Headers
#include <utility/pointer/ReferenceCount.hh>
#include <utility/vector1.hh>

// C++ Headers

namespace protocols {
namespace motifs {

class MotifHit : public utility::pointer::ReferenceCount {

public:

  // Constructor that defaults to empty allowed_types (aka, all allowed)
  MotifHit(
    Motif const & motif,
    Size const & vbpos,
    bool const passed_automorphism
  );

  // Destructor, copy constructor, clone method
  virtual ~MotifHit();
  MotifHit( MotifHit const & src );
  MotifHitOP clone() const;

  // Set final_test_
  void final_test(
    core::Real const & final_test
  );

  // Set the best rotamer and conformer
  void build_rotamer(
    core::conformation::Residue const & build_rotamer
  );

  void target_conformer(
    core::conformation::Residue const & target_conformer
  );
  
  void dump_motif_hit();

  // Accessors
  MotifCOP const & motifcop() const { return motifcop_; }
  Size const & vbpos() const { return vbpos_; }
  bool const & passed_automorphism() const { return passed_automorphism_; }
  core::Real const & final_test() const { return final_test_; }
  core::conformation::ResidueOP const & build_rotamer() const { return build_rotamer_; }
  core::conformation::ResidueOP const & target_conformer() const { return target_conformer_; }

private:
  // The motif that this class is based around
  MotifCOP motifcop_;
  // The pose residue that is the one that the motif is targeting
  // ie, for DNA this would be the closest DNA base of the correct type
  Size vbpos_;
  // Whether the automorphic version of the jump is a better hit
  bool passed_automorphism_;
  core::Real final_test_;
  // The best rotamer and conformer
  core::conformation::ResidueOP build_rotamer_;
  core::conformation::ResidueOP target_conformer_;
};

} // namespace motifs
} // namespace protocols

#endif // INCLUDED_protocols_motifs_MotifHit