InterchainPairEnergy.hh

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// vi: set ts=2 noet:
//
// (c) Copyright Rosetta Commons Member Institutions.
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/// @file   core/scoring/methods/InterchainPairEnergy.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_InterchainPairEnergy_hh
#define INCLUDED_protocols_scoring_methods_InterchainPairEnergy_hh

#include <core/scoring/methods/ContextIndependentTwoBodyEnergy.hh>
#include <protocols/scoring/InterchainPotential.hh>
#include <core/scoring/ScoreFunction.fwd.hh>
#include <core/conformation/Residue.fwd.hh>

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

#include <utility/vector1.hh>


// Utility headers


namespace protocols {
namespace scoring {
namespace methods {

///
class InterchainPairEnergy : public core::scoring::methods::ContextIndependentTwoBodyEnergy  {
public:
  typedef core::scoring::methods::ContextIndependentTwoBodyEnergy  parent;
public:

  ///
  InterchainPairEnergy();


  /// 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_pair_energy(
    core::conformation::Residue const & rsd1,
    core::conformation::Residue const & rsd2,
    core::pose::Pose const &,// pose,
    core::scoring::ScoreFunction const &,
    core::scoring::EnergyMap & emap
  ) const;

  virtual
  void
  finalize_total_energy(
    core::pose::Pose & pose,
    core::scoring::ScoreFunction const &,
    core::scoring::EnergyMap &// emap
  ) const;

  /// This method *should* admit to defining intraresidue energies
  virtual
  bool
  defines_intrares_energy( core::scoring::EnergyMap const & ) const { return false; }

  void
  eval_intrares_energy(
    core::conformation::Residue const &,
    core::pose::Pose const &,
    core::scoring::ScoreFunction const &,
    core::scoring::EnergyMap &
  ) const {}

  virtual
  core::Distance
  atomic_interaction_cutoff() 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