RamachandranEnergy2B.hh

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// vi: set ts=2 noet:
//
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/// @file   core/scoring/methods/RamachandranEnergy2B.hh
/// @brief  Ramachandran energy method class declaration
/// @author Guoli Wang

#ifndef INCLUDED_core_scoring_methods_RamachandranEnergy2B_hh
#define INCLUDED_core_scoring_methods_RamachandranEnergy2B_hh

// Unit headers
#include <core/scoring/methods/RamachandranEnergy2B.fwd.hh>

// Package headers
#include <core/scoring/methods/ContextIndependentTwoBodyEnergy.hh>
#include <core/scoring/Ramachandran2B.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/id/DOF_ID.fwd.hh>

#include <utility/vector1.hh>



namespace core {
namespace scoring {
namespace methods {

///
class RamachandranEnergy2B : public ContextIndependentTwoBodyEnergy  {
public:
  typedef ContextIndependentTwoBodyEnergy  parent;
public:

  /// ctor
  RamachandranEnergy2B();

  /// clone
  virtual
  EnergyMethodOP
  clone() const;

  /////////////////////////////////////////////////////////////////////////////
  // methods for ContextIndependentTwoBodyEnergies
  /////////////////////////////////////////////////////////////////////////////

  virtual
  void
  residue_pair_energy(
    conformation::Residue const & rsd1,
    conformation::Residue const & rsd2,
    pose::Pose const &,
    ScoreFunction const &,
    EnergyMap & emap
  ) const;

  virtual
  bool
  defines_intrares_energy( EnergyMap const & /*weights*/ ) const;

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


  virtual
  Distance
  atomic_interaction_cutoff() 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 Ramachandran Energy is context independent and thus indicates that no context graphs need to
  /// be maintained by class Energies
  virtual
  void indicate_required_context_graphs( utility::vector1< bool > & /*context_graphs_required*/ ) const;

  // data
private:
  Ramachandran2B const & potential_;
virtual
core::Size version() const;

};

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


#endif // INCLUDED_core_scoring_EtableEnergy_HH