CentroidDisulfideEnergy.hh

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/// @file   core/scoring/disulfides/CentroidDisulfideEnergy.hh
/// @brief  Centroid Disulfide Energy class declaration
/// @author Spencer Bliven <blivens@u.washington.edu>
/// @date   2/4/09

#ifndef INCLUDED_core_scoring_disulfides_CentroidDisulfideEnergy_hh
#define INCLUDED_core_scoring_disulfides_CentroidDisulfideEnergy_hh

// Unit headers
#include <core/scoring/disulfides/CentroidDisulfideEnergy.fwd.hh>

// Package headers
#include <core/scoring/disulfides/CentroidDisulfidePotential.fwd.hh>
#include <core/scoring/methods/Methods.hh>
#include <core/scoring/methods/ContextIndependentLRTwoBodyEnergy.hh>
#include <core/scoring/ScoreFunction.fwd.hh>

#include <utility/vector1.hh>



namespace core {
namespace scoring {
namespace disulfides {

class CentroidDisulfideEnergy : public methods::ContextIndependentLRTwoBodyEnergy {
public:
  typedef methods::ContextIndependentLRTwoBodyEnergy parent;

public:

  CentroidDisulfideEnergy( CentroidDisulfidePotential const & potential );
  virtual ~CentroidDisulfideEnergy();

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

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

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

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

  virtual
  bool
  defines_intrares_energy( EnergyMap const & weights ) const;

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

  // LongRangeTwoBodyEnergy methods
  virtual methods::LongRangeEnergyType long_range_type() const;

  virtual
  bool
  defines_residue_pair_energy(
    pose::Pose const & pose,
    Size res1,
    Size res2
  ) const;

private:
  CentroidDisulfidePotential const & potential_;
virtual
core::Size version() const;
};



} // namespace disulfides
} // namespace scoring
} // namespace core

#endif //INCLUDED_core_scoring_disulfides_CentroidDisulfideEnergy_HH