MembraneEnvEnergy.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/MembraneEnvEnergy.hh
/// @brief  Membrane Environment Cbeta Energy
/// @author Bjorn Wallner


#ifndef INCLUDED_core_scoring_methods_MembraneEnvEnergy_hh
#define INCLUDED_core_scoring_methods_MembraneEnvEnergy_hh

// Unit Headers
#include <core/scoring/methods/MembraneEnvEnergy.fwd.hh>
//#include <core/scoring/methods/MembraneEnvEnergy.hh>
#include <core/scoring/MembraneTopology.fwd.hh>
// Package headers
#include <core/scoring/methods/ContextDependentOneBodyEnergy.hh>
#include <core/scoring/MembranePotential.fwd.hh>

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

#include <core/scoring/methods/EnergyMethod.fwd.hh>

#include <core/scoring/ScoreFunction.fwd.hh>

#include <utility/vector1.hh>



// Utility headers


namespace core {
namespace scoring {
namespace methods {

///
class MembraneEnvEnergy : public ContextDependentOneBodyEnergy  {
public:
  typedef ContextDependentOneBodyEnergy  parent;

public:

  ///
  MembraneEnvEnergy();


  /// clone
  virtual
  EnergyMethodOP
  clone() const;

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

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

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

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


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

  virtual
  void indicate_required_context_graphs( utility::vector1< bool > & ) const {}

  MembraneTopology const & MembraneTopology_from_pose( pose::Pose const & pose ) const;

  /////////////////////////////////////////////////////////////////////////////
  // data
  /////////////////////////////////////////////////////////////////////////////

private:

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

};


}
}
}

#endif // INCLUDED_core_scoring_ScoreFunction_HH