ScoreStruct.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:
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//
// (c) Copyright Rosetta Commons Member Institutions.
// (c) This file is part of the Rosetta software suite and is made available under license.
// (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
// (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.

/// @file core/io/raw_data/ScoreStruct.hh
///
/// @brief Write out only the scores (equivalent to a scorefile)
/// @author James Thompson, Monica Berrondo

#ifndef INCLUDED_core_io_raw_data_ScoreStruct_hh
#define INCLUDED_core_io_raw_data_ScoreStruct_hh

// mini headers
#include <core/types.hh>
#include <core/pose/Pose.fwd.hh>

#include <core/io/raw_data/RawStruct.hh>

#include <core/chemical/ResidueTypeSet.fwd.hh>

#include <utility/vector1.hh>



// C++ Headers

namespace core {
namespace io {
namespace raw_data {

  /////////////////////////////////////////////////////////////////////////////
  // holds all the data for a single entry in a silent file
  class ScoreStruct : public RawStruct {

  public:
    // constructor
    ScoreStruct();

    ScoreStruct(
      core::pose::Pose, // pose,
      std::string tag = "empty_tag"
    );

    // destructor
    ~ScoreStruct() {}

    //ScoreStruct & operator= (ScoreStruct const & src);


    /// @brief Fill a Pose with the conformation information in this RawStruct and the FA_STANDARD
    /// ResidueTypeSet. This is a virtual method which must be implemented by classes derived from RawStruct.
    void fill_pose(
      core::pose::Pose & //pose
    );

    /// @brief Fill a Pose with the conformation information in this RawStruct and the ResidueTypeSet
    /// provided by the caller. This is a virtual method which must be implemented by classes derived from RawStruct.
    virtual void fill_pose(
      core::pose::Pose &, //pose,
      core::chemical::ResidueTypeSet const& residue_set
    );

    virtual Real get_debug_rmsd();
    virtual void print_conformation( std::ostream& out ) const;

}; // class ScoreStruct

} // namespace silent
} // namespace io
} // namespace core

#endif