SpecialRotamerEnergy.hh

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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/// @file   protocols/scoring/methods/SpecialRotamerEnergy.hh
/// @brief  Adds a bonus to any rotamer that is flagged
/// @author sthyme, sthyme@gmail.com, Feb 2010


#ifndef INCLUDED_protocols_scoring_methods_SpecialRotamerEnergy_hh
#define INCLUDED_protocols_scoring_methods_SpecialRotamerEnergy_hh

// Unit headers
#include <protocols/scoring/methods/SpecialRotamerEnergy.fwd.hh>

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

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

#include <utility/vector1.hh>



namespace protocols {
namespace scoring {
namespace methods {

///
class SpecialRotamerEnergy : public core::scoring::methods::ContextIndependentOneBodyEnergy  {
public:
  typedef core::scoring::methods::ContextIndependentOneBodyEnergy  parent;

public:

  /// ctor
  SpecialRotamerEnergy();

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

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

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


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

  /// @brief SpecialRotamerEnergy 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:

};

} // methods
} // scoring
} // protocols


#endif // INCLUDED_protocols_scoring_methods_SpecialRotamerEnergy_HH