CountPairIntraResC4.cc

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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.
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/// @file   core/scoring/etable/count_pair/CountPairIntraResC4.cc
/// @brief  Count pair for intra-residue LJ/LK, where the
/// crossover from excluding to counting atom pair interactions is at 4 bonds.
/// @author Andrew Leaver-Fay (aleaverfay@gmail.com)


#include <core/scoring/etable/count_pair/CountPairIntraResC4.hh>
#include <core/scoring/etable/atom_pair_energy_inline.hh>

#include <core/scoring/etable/EtableEnergy.hh>

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


/// @brief take a row from the path distances table
/// to retrieve the lower and upper path distances
/// for all atoms in each residue
CountPairIntraResC4::CountPairIntraResC4(
  conformation::Residue const & res
) :
  parent(),
  path_dists_( res.path_distances())
{
}

CountPairIntraResC4::~CountPairIntraResC4() {}

bool
CountPairIntraResC4::count(
  int const at1,
  int const at2,
  Real & w,
  Size & path_dist
) const
{
  return operator() ( at1, at2, w, path_dist );
}


void
CountPairIntraResC4::residue_atom_pair_energy(
  conformation::Residue const & res,
  conformation::Residue const & /*res2*/,
  etable::TableLookupEvaluator const & etable_energy,
  EnergyMap & emap
) const
{
  inline_intraresidue_atom_pair_energy( res, etable_energy, *this, emap );
}


void
CountPairIntraResC4::residue_atom_pair_energy_sidechain_backbone(
  conformation::Residue const & /*res1*/,
  conformation::Residue const & /*res2*/,
  etable::TableLookupEvaluator const & /*etable_energy*/,
  EnergyMap & /*emap*/
) const
{
  std::cerr << "Error: illegal call to CountPairIntraResC4::residue_atom_pair_energy_sidechain_backbone" << std::endl;
  utility_exit();
}


void
CountPairIntraResC4::residue_atom_pair_energy_sidechain_whole(
  conformation::Residue const & ,
  conformation::Residue const & ,
  etable::TableLookupEvaluator const & ,
  EnergyMap &
) const
{
  std::cerr << "Error: illegal call to CountPairIntraResC4::residue_atom_pair_energy_sidechain_whole" << std::endl;
  utility_exit();
}

void
CountPairIntraResC4::residue_atom_pair_energy(
  conformation::Residue const & res,
  conformation::Residue const & res2,
  etable::AnalyticEtableEvaluator const & etable_energy,
  EnergyMap & emap
) const
{
  inline_intraresidue_atom_pair_energy( res, etable_energy, *this, emap );
}


void
CountPairIntraResC4::residue_atom_pair_energy_sidechain_backbone(
  conformation::Residue const & res1,
  conformation::Residue const & res2,
  etable::AnalyticEtableEvaluator const & etable_energy,
  EnergyMap & emap
) const
{
  std::cerr << "Error: illegal call to CountPairIntraResC4::residue_atom_pair_energy_sidechain_backbone" << std::endl;
  utility_exit();
}


void
CountPairIntraResC4::residue_atom_pair_energy_sidechain_whole(
  conformation::Residue const & ,
  conformation::Residue const & ,
  etable::AnalyticEtableEvaluator const & ,
  EnergyMap &
) const
{
  std::cerr << "Error: illegal call to CountPairIntraResC4::residue_atom_pair_energy_sidechain_whole" << std::endl;
  utility_exit();
}


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