MembraneCenPairEnergy.hh

Go to the documentation of this file.

// -*- mode:c++;tab-width:2;indent-tabs-mode:t;show-trailing-whitespace:t;rm-trailing-spaces:t -*-
// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
// (c) This file is part of the Rosetta software suite and is made available under license.
// (c) The Rosetta software is developed by the contributing members of the Rosetta Commons.
// (c) For more information, see http://www.rosettacommons.org. Questions about this can be
// (c) addressed to University of Washington UW TechTransfer, email: license@u.washington.edu.

/// @file   core/scoring/methods/MembraneCenPairEnergy.hh
/// @brief  Membrane Pair Term
/// @author Bjorn Wallner


#ifndef INCLUDED_core_scoring_methods_MembraneCenPairEnergy_hh
#define INCLUDED_core_scoring_methods_MembraneCenPairEnergy_hh

// Unit Headers
#include <core/scoring/methods/MembraneCenPairEnergy.fwd.hh>
#include <core/scoring/MembraneTopology.fwd.hh>

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

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

#include <utility/vector1.hh>


// Utility headers


namespace core {
namespace scoring {
namespace methods {

///
class MembraneCenPairEnergy : public ContextDependentTwoBodyEnergy  {
public:
  typedef ContextDependentTwoBodyEnergy  parent;

public:

  ///
  MembraneCenPairEnergy();


  /// clone
  virtual
  EnergyMethodOP
  clone() const;

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

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

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


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

//  /// This method *should* admit to defining intraresidue energies
  virtual
  bool
  defines_intrares_energy( EnergyMap const & ) const { return false; }
//
  void
  eval_intrares_energy(
    conformation::Residue const &,
    pose::Pose const &,
    ScoreFunction const &,
    EnergyMap &
  ) const {}

  virtual
  Distance
  atomic_interaction_cutoff() 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