DirectReadoutEnergy.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:
//
// (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/DirectReadoutEnergy.hh
/// @brief  Statistically derived DNA contact potential class declaration
/// @author Phil Bradley


#ifndef INCLUDED_core_scoring_methods_DirectReadoutEnergy_hh
#define INCLUDED_core_scoring_methods_DirectReadoutEnergy_hh

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

// Package headers
#include <core/scoring/methods/WholeStructureEnergy.hh>
#include <core/scoring/dna/DirectReadoutPotential.fwd.hh>


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

#include <core/conformation/Residue.fwd.hh>
#include <utility/vector1.hh>


// Utility headers

namespace core {
namespace scoring {
namespace methods {

/// @brief  Implementation of Kono and Sarai's knowledge-based protein-DNA interaction energy
/// @details  Could be a CI2B, but interaction threshold is large, so in the short term defining as
/// WholeStructure energy.

class DirectReadoutEnergy : public WholeStructureEnergy  {
public:
  typedef WholeStructureEnergy  parent;
public:

  ///
  DirectReadoutEnergy();


  /// clone
  virtual
  EnergyMethodOP
  clone() const;

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


  /// @brief  Implementation which is currently not used
  ///
  void
  my_residue_pair_energy(
    conformation::Residue const & rsd1,
    conformation::Residue const & rsd2,
    pose::Pose const & pose,
    ScoreFunction const &,
    EnergyMap & emap
  ) const;

  using parent::finalize_total_energy;

  /// @brief  All the work happens here
  virtual
  void
  finalize_total_energy(
    pose::Pose const & pose,
    ScoreFunction const & scorefxn,
    EnergyMap & emap
  ) const;


  /// @brief  No graphs required.
  virtual
  void indicate_required_context_graphs( utility::vector1< bool > & ) const {};


  /////////////////////////////////////////////////////////////////////////////
  // data
  /////////////////////////////////////////////////////////////////////////////

private:

  dna::DirectReadoutPotential const & potential_;
virtual
core::Size version() const;

};


}
}
}

#endif // INCLUDED_core_scoring_ScoreFunction_HH