SymmetricLigandEnergy.hh

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// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// This file is part of the Rosetta software suite and is made available under license.
// The Rosetta software is developed by the contributing members of the Rosetta Commons consortium.
// (C) 199x-2009 Rosetta Commons participating institutions and developers.
// For more information, see http://www.rosettacommons.org/.

/// @file   core/scoring/methods/SymmetricLigandEnergy.hh
/// @brief  score for implicit ligand interactions from symmetric geometry
/// @author Will Sheffler


#ifndef INCLUDED_core_scoring_methods_SymmetricLigandEnergy_hh
#define INCLUDED_core_scoring_methods_SymmetricLigandEnergy_hh

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

// AUTO-REMOVED #include <core/scoring/methods/EnergyMethodCreator.hh>

// Package headers
#include <core/scoring/methods/ContextIndependentOneBodyEnergy.hh>
// AUTO-REMOVED #include <core/pack/dunbrack/RotamerLibrary.fwd.hh>
// AUTO-REMOVED #include <core/pack/dunbrack/RotamerLibraryScratchSpace.fwd.hh>
#include <core/scoring/ScoreFunction.fwd.hh>

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

#include <core/types.hh>

#include <utility/vector1.hh>


namespace core {
namespace scoring {
namespace methods {

///
class SymmetricLigandEnergy : public ContextIndependentOneBodyEnergy {
public:

  typedef ContextIndependentOneBodyEnergy  parent;

  /// @brief ctor
  SymmetricLigandEnergy();

  /// @brief dtor
  virtual ~SymmetricLigandEnergy();

  /// clone
  virtual
  EnergyMethodOP
  clone() const;

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

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


  virtual
  void
  eval_atom_derivative(
    id::AtomID const & id,
    pose::Pose const & pose,
    kinematics::DomainMap const & domain_map,
    ScoreFunction const & sfxn,
    EnergyMap const & emap,
    Vector & F1,
    Vector & F2
  ) const;

  /// @brief SymmetricLigandEnergy 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;



};

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


#endif // INCLUDED_core_scoring_SymmetricLigandEnergy_HH