SurfaceEnergy.hh

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// 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   core/scoring/methods/SurfaceEnergy.hh
/// @brief  Header file for SurfaceEnergy; Not really a CD1B energy; this class is needed for optE
/// @author Ron Jacak


#ifndef INCLUDED_core_pack_interaction_graph_SurfaceEnergy_hh
#define INCLUDED_core_pack_interaction_graph_SurfaceEnergy_hh

// Unit Headers
#include <core/pack/interaction_graph/SurfaceEnergy.fwd.hh>

// Package headers
#include <core/scoring/methods/ContextDependentOneBodyEnergy.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
//#include <core/scoring/InterchainPotential.fwd.hh>
#include <core/conformation/Residue.fwd.hh>

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

#include <utility/vector1.hh>


// Utility headers


namespace core {
namespace pack {
namespace interaction_graph {


//----------------------------------------------------------------------------//
//------------------------ SurfaceEnergy Class ----------------------------//
//----------------------------------------------------------------------------//

///
/// @begin SurfaceEnergy
///
/// @brief
/// Defines a (pseudo) context-dependent one-body surface energy.  Really, this class
/// is only being used as a hack for the optE protocol so that the non-PD surface
/// energy can be optimized together with the other PD-terms.
///
class SurfaceEnergy : public scoring::methods::ContextDependentOneBodyEnergy  {
public:
  typedef scoring::methods::ContextDependentOneBodyEnergy  parent;

public:

  SurfaceEnergy();

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

  virtual
  void
  setup_for_scoring( pose::Pose & pose, scoring::ScoreFunction const & ) const;

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

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

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


private:

  // const-ref to scoring database
  //InterchainPotential const & potential_;
virtual
core::Size version() const;

};


} // namespace interaction_graph
} // namespace pack
} // namespace core

#endif // INCLUDED_core_scoring_ScoreFunction_HH