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Public Member Functions | Private Member Functions | Private Attributes | Friends | List of all members
core::scoring::hbonds::HBEvalTuple Class Reference

#include <HBEvalTuple.hh>

Public Member Functions

 HBEvalTuple ()
 
 HBEvalTuple (int const datm, core::conformation::Residue const &don_rsd, int const aatm, core::conformation::Residue const &acc_rsd)
 
 HBEvalTuple (HBDonChemType don, HBAccChemType acc, HBSeqSep sequence_sep)
 
 HBEvalTuple (HBEvalTuple const &src)
 
HBEvalTupleoperator= (HBEvalTuple const &rhs)
 
 ~HBEvalTuple ()
 
void don_type (HBDonChemType don)
 
void acc_type (HBAccChemType acc)
 
void sequence_sep (HBSeqSep seqsep)
 
HBDonChemType don_type () const
 
HBAccChemType acc_type () const
 
HBSeqSep sequence_sep () const
 
HBEvalType eval_type () const
 
void show (std::ostream &out) const
 

Private Member Functions

void update_hbevaltype ()
 

Private Attributes

HBDonChemType don_type_
 
HBAccChemType acc_type_
 
HBSeqSep seq_sep_
 
HBEvalType eval_type_
 

Friends

bool operator== (HBEvalTuple const &a, HBEvalTuple const &b)
 

Constructor & Destructor Documentation

◆ HBEvalTuple() [1/4]

core::scoring::hbonds::HBEvalTuple::HBEvalTuple ( )
inline

◆ HBEvalTuple() [2/4]

core::scoring::hbonds::HBEvalTuple::HBEvalTuple ( int const  datm,
core::conformation::Residue const &  don_rsd,
int const  aatm,
core::conformation::Residue const &  acc_rsd 
)

◆ HBEvalTuple() [3/4]

core::scoring::hbonds::HBEvalTuple::HBEvalTuple ( HBDonChemType  don,
HBAccChemType  acc,
HBSeqSep  sequence_sep 
)

References update_hbevaltype().

◆ HBEvalTuple() [4/4]

core::scoring::hbonds::HBEvalTuple::HBEvalTuple ( HBEvalTuple const &  src)
inline

◆ ~HBEvalTuple()

core::scoring::hbonds::HBEvalTuple::~HBEvalTuple ( )
inline

Member Function Documentation

◆ acc_type() [1/2]

HBAccChemType core::scoring::hbonds::HBEvalTuple::acc_type ( ) const
inline

References acc_type_.

◆ acc_type() [2/2]

void core::scoring::hbonds::HBEvalTuple::acc_type ( HBAccChemType  acc)

◆ don_type() [1/2]

HBDonChemType core::scoring::hbonds::HBEvalTuple::don_type ( ) const
inline

References don_type_.

◆ don_type() [2/2]

void core::scoring::hbonds::HBEvalTuple::don_type ( HBDonChemType  don)

◆ eval_type()

HBEvalType core::scoring::hbonds::HBEvalTuple::eval_type ( ) const
inline

References eval_type_.

Referenced by core::scoring::hbonds::assign_abase_derivs(), core::scoring::hbonds::HBondEnergy::atomistic_pair_energy(), core::energy_methods::compute_exact_geosol(), core::energy_methods::ExactOccludedHbondSolEnergy::compute_grid_constant(), core::energy_methods::ExactOccludedHbondSolEnergy::compute_polar_group_sol_energy(), core::energy_methods::ExactOccludedHbondSolEnergy::compute_sho_acceptor_atom_energy(), core::energy_methods::ExactOccludedHbondSolEnergy::compute_sho_donor_atom_energy(), core::pack::interaction_graph::create_hbonds_one_way(), protocols::ligand_docking::ga_ligand_dock::GridScorer::derivatives(), core::scoring::hbonds::HBondEnergy::drawn_out_heavyatom_hydrogenatom_energy(), core::energy_methods::NPDHBondEnergy::eval_atom_derivative(), core::scoring::hbonds::HBond::eval_type(), core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::get_acceptor_base_atm_xyz(), core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::get_atom_atom_geometric_solvation_for_acceptor(), core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::get_atom_atom_geometric_solvation_for_donor(), core::scoring::hbonds::get_environment_dependent_weight(), protocols::ligand_docking::ga_ligand_dock::get_hbond_score_weighted(), core::scoring::hbonds::hb_energy_deriv(), core::scoring::hbonds::hb_energy_deriv_u2(), core::scoring::hbonds::hbond_compute_energy(), core::scoring::hbonds::HBondEnergy::hbond_derivs_1way(), protocols::pose_metric_calculators::SHOBuriedUnsatisfiedPolarsCalculator::hbond_energy(), core::scoring::hbonds::identify_hbonds_1way(), core::scoring::hbonds::identify_hbonds_1way_membrane(), core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::occluded_water_hbond_penalty(), core::scoring::hbonds::HBond::show(), and core::energy_methods::WaterWeightGridSet::WaterWeightGridSet().

◆ operator=()

HBEvalTuple& core::scoring::hbonds::HBEvalTuple::operator= ( HBEvalTuple const &  rhs)
inline

References acc_type_, don_type_, eval_type_, and seq_sep_.

◆ sequence_sep() [1/2]

HBSeqSep core::scoring::hbonds::HBEvalTuple::sequence_sep ( ) const
inline

References seq_sep_.

◆ sequence_sep() [2/2]

void core::scoring::hbonds::HBEvalTuple::sequence_sep ( HBSeqSep  seqsep)

References seq_sep_, and update_hbevaltype().

◆ show()

void core::scoring::hbonds::HBEvalTuple::show ( std::ostream &  out) const

◆ update_hbevaltype()

void core::scoring::hbonds::HBEvalTuple::update_hbevaltype ( )
private

Friends And Related Function Documentation

◆ operator==

bool operator== ( HBEvalTuple const &  a,
HBEvalTuple const &  b 
)
friend

Member Data Documentation

◆ acc_type_

HBAccChemType core::scoring::hbonds::HBEvalTuple::acc_type_
private

◆ don_type_

HBDonChemType core::scoring::hbonds::HBEvalTuple::don_type_
private

◆ eval_type_

HBEvalType core::scoring::hbonds::HBEvalTuple::eval_type_
private

◆ seq_sep_

HBSeqSep core::scoring::hbonds::HBEvalTuple::seq_sep_
private

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