InterchainEnvEnergy.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/InterchainEnvEnergy.hh
/// @brief  Statistically derived rotamer pair potentials
/// @detailed For docking (or between chains) only those residues at the interface
///           and between the two interfaces need to be evaluated
/// @author Monica Berrondo


#ifndef INCLUDED_protocols_scoring_methods_InterchainEnvEnergy_hh
#define INCLUDED_protocols_scoring_methods_InterchainEnvEnergy_hh

// Unit Headers

// Package headers
#include <core/scoring/methods/ContextDependentOneBodyEnergy.hh>
#include <protocols/scoring/InterchainPotential.hh>
#include <core/scoring/ScoreFunction.fwd.hh>

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

#include <utility/vector1.hh>


// Utility headers


namespace protocols {
namespace scoring {
namespace methods {

///
class InterchainEnvEnergy : public core::scoring::methods::ContextDependentOneBodyEnergy  {
public:
  typedef core::scoring::methods::ContextDependentOneBodyEnergy  parent;
public:

  ///
  InterchainEnvEnergy();


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

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

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

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

  // is there a better way to do this?
  // (using the finalize to calculate the contact score)
  virtual
  void
  finalize_total_energy(
    core::pose::Pose & pose,
    core::scoring::ScoreFunction const &,
    core::scoring::EnergyMap & emap
  ) const;

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


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

private:

  // const-ref to scoring database
  protocols::scoring::InterchainPotential const * potential_;
virtual
core::Size version() const;

};


}
}
}

#endif