CountPairIntraResC4.hh

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//
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/// @file   core/scoring/etable/count_pair/CountPairIntraResC4.hh
/// @brief  Count pair for residue pairs connected with one bond, where the
/// crossover from excluding to counting atom pair interactions is at 4 bonds.
/// @author Andrew Leaver-Fay (leaverfa@email.unc.edu)


#ifndef INCLUDED_core_scoring_etable_count_pair_CountPairIntraResC4_hh
#define INCLUDED_core_scoring_etable_count_pair_CountPairIntraResC4_hh

#include <core/scoring/etable/count_pair/CountPairCrossover4.hh>

#include <core/types.hh>
#include <core/conformation/Atom.hh>

namespace core {
namespace scoring {
namespace etable {
namespace count_pair {

class CountPairIntraResC4 : public CountPairCrossover4
{
public:
  public:
  typedef CountPairCrossover4 parent;

public:
  CountPairIntraResC4(
    conformation::Residue const & res1
  );

  virtual ~CountPairIntraResC4();

  ///@brief function required by templated functions in atom_pair_energy_inline
  inline
  bool
  operator () (
    int const at1,
    int const at2,
    Real & weight,
    Size & path_dist
  ) const
  {
    path_dist = path_dists_[ at1 ][ at2 ];
    return count_at_path_distance( path_dist, weight );
  }

  virtual
  bool
  count(
    int const at1,
    int const at2,
    Real &,
    Size & path_dist
  ) const;

  /// Type Resolution Functions ///

  virtual
  void
  residue_atom_pair_energy(
    conformation::Residue const & res1,
    conformation::Residue const & res2,
    etable::TableLookupEvaluator const &,
    EnergyMap &
  ) const;


  virtual
  void
  residue_atom_pair_energy_sidechain_backbone(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::TableLookupEvaluator const &,
    EnergyMap &
  ) const;


  virtual
  void
  residue_atom_pair_energy_sidechain_whole(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::TableLookupEvaluator const &,
    EnergyMap &
  ) const;

  virtual
  void
  residue_atom_pair_energy(
    conformation::Residue const & res1,
    conformation::Residue const & res2,
    etable::AnalyticEtableEvaluator const &,
    EnergyMap &
  ) const;


  virtual
  void
  residue_atom_pair_energy_sidechain_backbone(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::AnalyticEtableEvaluator const &,
    EnergyMap &
  ) const;


  virtual
  void
  residue_atom_pair_energy_sidechain_whole(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::AnalyticEtableEvaluator const &,
    EnergyMap &
  ) const;

private:
  utility::vector1< utility::vector1< int > > const & path_dists_;

};

} // namespace count_pair
} // namespace etable
} // namespace scoring
} // namespace core

#endif