DNAChiEnergy.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:
//
// This file is part of the Rosetta software suite and is made available under license.
// The Rosetta software is developed by the contributing members of the Rosetta Commons consortium.
// (C) 199x-2009 Rosetta Commons participating institutions and developers.
// For more information, see http://www.rosettacommons.org/.

/// @file   core/scoring/dna/DNAChiEnergy.hh
/// @brief  Energy term for simple DNA chi torsion
/// @author Jim Havranek


#ifndef INCLUDED_core_scoring_dna_DNAChiEnergy_HH
#define INCLUDED_core_scoring_dna_DNAChiEnergy_HH

// Unit headers
#include <core/scoring/dna/DNAChiEnergy.fwd.hh>
#include <core/scoring/dna/DNABFormPotential.fwd.hh>

// Package headers
#include <core/scoring/methods/ContextIndependentOneBodyEnergy.hh>

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


namespace core {
namespace scoring {
namespace dna {

///
class DNAChiEnergy : public methods::ContextIndependentOneBodyEnergy {
public:
  typedef ContextIndependentOneBodyEnergy parent;
public:

  /// @brief ctor
  DNAChiEnergy();

  /// @brief dtor
  virtual ~DNAChiEnergy();

  /// clone
  virtual
  methods::EnergyMethodOP
  clone() const;

  /////////////////////////////////////////////////////////////////////////////
  // methods for ContextIndependentOneBodyEnergies
  /////////////////////////////////////////////////////////////////////////////

  ///
  virtual
  void
  residue_energy(
    conformation::Residue const & rsd,
    pose::Pose const & pose,
    EnergyMap & emap
  ) const;


  ///
  virtual
  Real
  eval_dof_derivative(
    id::DOF_ID const & dof_id,
    id::TorsionID const & tor_id,
    pose::Pose const & pose,
    ScoreFunction const & sfxn,
    EnergyMap const & weights
  ) const;

  /// @brief DunbrackEnergy is context independent; indicates that no
  /// context graphs are required
  virtual
  void indicate_required_context_graphs( utility::vector1< bool > & ) const;


  virtual
  core::Size version() const;

  // data
private:
  // Will probably need to store data here, although I may hard-wire this for the first pass
  core::scoring::dna::DNABFormPotential const & potential_;

};

} // dna
} // scoring
} // core


#endif // INCLUDED_core_scoring_dna_DNAChiEnergy_HH