RMS_Energy.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.
// (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/scoring/methods/RMS_Energy.hh
/// @brief  RMS Energy function. Used to optimize the RMSD between two structures.
/// @author James Thompson


#ifndef INCLUDED_core_scoring_methods_RMS_Energy_hh
#define INCLUDED_core_scoring_methods_RMS_Energy_hh


// Package headers
#include <core/scoring/methods/WholeStructureEnergy.hh>
#include <core/scoring/ScoreType.hh>
#include <core/scoring/ScoreFunction.fwd.hh>


// Project headers
#include <core/pose/Pose.hh>

#include <utility/vector1.hh>


// Utility headers


namespace core {
namespace scoring {
namespace methods {


class RMS_Energy : public WholeStructureEnergy  {
public:
  typedef WholeStructureEnergy  parent;

public:

  ///
  RMS_Energy();

  /// clone
  virtual
  EnergyMethodOP
  clone() const;

  /////////////////////////////////////////////////////////////////////////////
  // scoring
  /////////////////////////////////////////////////////////////////////////////

  void
  finalize_total_energy(
    pose::Pose & pose,
    ScoreFunction const &,
    EnergyMap & totals
  ) const;

  void
  indicate_required_context_graphs(
    utility::vector1< bool > & /*context_graphs_required*/
  ) const {}

private:
  pose::Pose native_pose_;
  core::Real rms_target_;
virtual
core::Size version() const;
};


} // methods
} // scoring
} // core

#endif