core::scoring::PairEPotential Class Reference

#include <PairEPotential.hh>

Inheritance diagram for core::scoring::PairEPotential:

Public Member Functions
	PairEPotential ()
Energy	pair_term_energy (conformation::Residue const &res1, int res1_num_10A_neighbors, conformation::Residue const &res2, int res2_num_10A_neighbors) const
Energy	pair_term_energy_and_deriv (conformation::Residue const &res1, int res1_num_10A_neighbors, conformation::Residue const &res2, int res2_num_10A_neighbors, EnergyDerivative &dpairE_dr) const
bool	pair_term_energy_exists (conformation::Residue const &rsd) const
Real	range () const

Private Member Functions
Energy	pair_term_energy (conformation::Residue const &res1, int res1_num_10A_neighbors, conformation::Residue const &res2, int res2_num_10A_neighbors, Probability &pair_lhood_ratio, Probability &pair_lhood_ratio_high, Probability &pair_lhood_ratio_low) const

Private Attributes
FArray5D_TableProbability	pair_corr_
Size	pair_score_min_sep_
int	pair_score_cb_thresh_
Distance	pair_score_bin_range_
Distance	pair_score_bin_base_
int	max_bin_

Constructor & Destructor Documentation

core::scoring::PairEPotential::PairEPotential

(

)

References core::chemical::aa_arg, core::chemical::aa_asp, core::chemical::aa_glu, core::chemical::aa_lys, and pair_corr_.

Member Function Documentation

Energy core::scoring::PairEPotential::pair_term_energy	(	conformation::Residue const &	res1,
		int	res1_num_10A_neighbors,
		conformation::Residue const &	res2,
		int	res2_num_10A_neighbors
	)		const

Referenced by pair_term_energy_and_deriv(), and core::scoring::methods::PairEnergy::residue_pair_energy().

Energy core::scoring::PairEPotential::pair_term_energy ( conformation::Residue const &  res1, int  res1_num_10A_neighbors, conformation::Residue const &  res2, int  res2_num_10A_neighbors, Probability &  pair_lhood_ratio, Probability &  pair_lhood_ratio_high, Probability &  pair_lhood_ratio_low  ) const

private

References core::conformation::Residue::aa(), core::chemical::aa_asp, core::chemical::aa_glu, core::chemical::aa_his, core::conformation::Residue::actcoord(), core::conformation::Residue::is_aromatic(), core::conformation::Residue::is_polar(), protocols::mean_field::max(), max_bin_, pair_corr_, pair_score_bin_base_, pair_score_bin_range_, pair_score_cb_thresh_, pair_score_min_sep_, core::conformation::Residue::polymeric_sequence_distance(), and core::conformation::Residue::seqpos().

Energy core::scoring::PairEPotential::pair_term_energy_and_deriv	(	conformation::Residue const &	res1,
		int	res1_num_10A_neighbors,
		conformation::Residue const &	res2,
		int	res2_num_10A_neighbors,
		EnergyDerivative &	dpairE_dr
	)		const

References pair_score_bin_range_, and pair_term_energy().

Referenced by core::scoring::methods::PairEnergy::eval_residue_pair_derivatives().

bool core::scoring::PairEPotential::pair_term_energy_exists

(

conformation::Residue const &

rsd

)

const

References core::conformation::Residue::is_aromatic(), core::conformation::Residue::is_polar(), and core::conformation::Residue::is_protein().

Real core::scoring::PairEPotential::range ( ) const

inline

References max_bin_, pair_score_bin_base_, and pair_score_bin_range_.

Referenced by core::scoring::methods::PairEnergy::interaction_cutoff().

Member Data Documentation

int core::scoring::PairEPotential::max_bin_

private

Referenced by pair_term_energy(), and range().

FArray5D_TableProbability core::scoring::PairEPotential::pair_corr_

private

Referenced by pair_term_energy(), and PairEPotential().

Distance core::scoring::PairEPotential::pair_score_bin_base_

private

Referenced by pair_term_energy(), and range().

Distance core::scoring::PairEPotential::pair_score_bin_range_

private

Referenced by pair_term_energy(), pair_term_energy_and_deriv(), and range().

int core::scoring::PairEPotential::pair_score_cb_thresh_

private

Referenced by pair_term_energy().

Size core::scoring::PairEPotential::pair_score_min_sep_

private

Referenced by pair_term_energy().

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The documentation for this class was generated from the following files:

• src/core/scoring/PairEPotential.hh
• src/core/scoring/PairEPotential.cc