CountPairIntraRes.hh

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/// @file   core/scoring/etable/count_pair/CountPairIntraRes.hh
/// @brief  Count pair for residue pairs connected with one bond, where the
/// crossover from excluding to counting atom pair interactions is at 3 bonds.
/// @author Andrew Leaver-Fay (leaverfa@email.unc.edu)


#ifndef INCLUDED_core_scoring_etable_count_pair_CountPairIntraRes_hh
#define INCLUDED_core_scoring_etable_count_pair_CountPairIntraRes_hh

// Package Headers
// AUTO-REMOVED #include <core/scoring/etable/count_pair/CountPairFunction.hh>

// Project Headers
#include <core/conformation/Residue.hh>

//#include <core/scoring/etable/count_pair/CountPairCrossover3.hh>

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

#include <core/scoring/EnergyMap.fwd.hh>
#include <core/scoring/etable/EtableEnergy.fwd.hh>
#include <utility/vector1.hh>


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

template < class CrossoverBehavior >
class CountPairIntraRes : public CrossoverBehavior
{
public:
  public:
  typedef CrossoverBehavior parent;

public:
  CountPairIntraRes(
    conformation::Residue const & res
  );

  virtual ~CountPairIntraRes();

  ///@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 parent::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_backbone_backbone(
    conformation::Residue const &,
    conformation::Residue const &,
    etable::TableLookupEvaluator const &,
    EnergyMap &
  ) const;


  virtual
  void
  residue_atom_pair_energy_sidechain_sidechain(
    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;

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


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

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

};

/// @brief take a reference to the path distances table
template < class CrossoverBehavior >
CountPairIntraRes< CrossoverBehavior >::CountPairIntraRes(
  conformation::Residue const & res
) :
  parent(),
  path_dists_( res.path_distances() )
{
}

template < class CrossoverBehavior >
CountPairIntraRes< CrossoverBehavior >::~CountPairIntraRes() {}

template < class CrossoverBehavior >
bool
CountPairIntraRes< CrossoverBehavior >::count(
  int const at1,
  int const at2,
  Real & w,
  Size & path_dist
) const
{
  //bool temp = operator() ( at1, at2, w, path_dist );
  //std::cout << "CPIR: " << at1 << "\t" << at2 << "\t" << w << "\t" << path_dist << "\t" << temp << std::endl;
  //return temp;
  return operator() ( at1, at2, w, path_dist );
}


template < class CrossoverBehavior >
void
CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy(
  conformation::Residue const & res,
  conformation::Residue const & ,
  etable::TableLookupEvaluator const & etable_energy,
  EnergyMap & emap
) const
{
  inline_intraresidue_atom_pair_energy( res, etable_energy, *this, emap );
}


template < class CrossoverBehavior >
void
CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_sidechain_backbone(
  conformation::Residue const & ,
  conformation::Residue const & ,
  etable::TableLookupEvaluator const & ,
  EnergyMap &
) const
{
  std::cerr << "Error: illegal call to CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_sidechain_backbone" << std::endl;
  utility_exit();
}


template < class CrossoverBehavior >
void
CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_sidechain_whole(
  conformation::Residue const & ,
  conformation::Residue const & ,
  etable::TableLookupEvaluator const & ,
  EnergyMap &
) const
{
  std::cerr << "Error: illegal call to CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_sidechain_whole" << std::endl;
  utility_exit();
}


template < class CrossoverBehavior >
void
CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_backbone_backbone(
  conformation::Residue const &,
  conformation::Residue const &,
  etable::TableLookupEvaluator const &,
  EnergyMap &
) const
{
  std::cerr << "Error: illegal call to CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_backbone_backbone" << std::endl;
  utility_exit();
}


template < class CrossoverBehavior >
void
CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_sidechain_sidechain(
  conformation::Residue const &,
  conformation::Residue const &,
  etable::TableLookupEvaluator const &,
  EnergyMap &
) const
{
  std::cerr << "Error: illegal call to CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_sidechain_sidechain" << std::endl;
  utility_exit();
}


template < class CrossoverBehavior >
void
CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy(
  conformation::Residue const & res,
  conformation::Residue const & ,
  etable::AnalyticEtableEvaluator const & etable_energy,
  EnergyMap & emap
) const
{
  inline_intraresidue_atom_pair_energy( res, etable_energy, *this, emap );
}


template < class CrossoverBehavior >
void
CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_sidechain_backbone(
  conformation::Residue const & ,
  conformation::Residue const & ,
  etable::AnalyticEtableEvaluator const & ,
  EnergyMap &
) const
{
  std::cerr << "Error: illegal call to CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_sidechain_backbone" << std::endl;
  utility_exit();
}


template < class CrossoverBehavior >
void
CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_sidechain_whole(
  conformation::Residue const & ,
  conformation::Residue const & ,
  etable::AnalyticEtableEvaluator const & ,
  EnergyMap &
) const
{
  std::cerr << "Error: illegal call to CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_sidechain_whole" << std::endl;
  utility_exit();
}


template < class CrossoverBehavior >
void
CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_backbone_backbone(
  conformation::Residue const &,
  conformation::Residue const &,
  etable::AnalyticEtableEvaluator const &,
  EnergyMap &
) const
{
  std::cerr << "Error: illegal call to CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_backbone_backbone" << std::endl;
  utility_exit();
}


template < class CrossoverBehavior >
void
CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_sidechain_sidechain(
  conformation::Residue const &,
  conformation::Residue const &,
  etable::AnalyticEtableEvaluator const &,
  EnergyMap &
) const
{
  std::cerr << "Error: illegal call to CountPairIntraRes< CrossoverBehavior >::residue_atom_pair_energy_sidechain_sidechain" << std::endl;
  utility_exit();
}


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

#endif