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)
HBEvalTuple const &	operator= (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

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

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

inline

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

References acc_type_, don_type_, eval_type_, core::scoring::hbonds::get_hb_acc_chem_type(), core::scoring::hbonds::get_hb_don_chem_type(), core::scoring::hbonds::get_seq_sep(), core::scoring::hbonds::HBEval_lookup, core::conformation::Residue::polymeric_oriented_sequence_distance(), and seq_sep_.

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

References update_hbevaltype().

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

inline

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

inline

Member Function Documentation

void core::scoring::hbonds::HBEvalTuple::acc_type

(

HBAccChemType

acc

)

References acc_type_, and update_hbevaltype().

Referenced by core::scoring::hbonds::hb_energy_deriv_u2(), core::scoring::hbonds::hbond_compute_energy(), and core::scoring::geometric_solvation::GeometricSolEnergyEvaluator::occluded_water_hbond_penalty().

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

inline

References acc_type_.

void core::scoring::hbonds::HBEvalTuple::don_type

(

HBDonChemType

don

)

References don_type_, and update_hbevaltype().

Referenced by core::scoring::hbonds::hbond_compute_energy().

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

inline

References don_type_.

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

inline

References eval_type_.

Referenced by core::scoring::hbonds::assign_abase_derivs(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::compute_grid_constant(), core::scoring::geometric_solvation::ExactOccludedHbondSolEnergy::compute_polar_group_sol_energy(), core::scoring::hbonds::HBondEnergy::drawn_out_heavyatom_hydrogenatom_energy(), 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(), 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(), 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::scoring::geometric_solvation::WaterWeightGridSet::WaterWeightGridSet().

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

inline

References acc_type_, don_type_, eval_type_, and seq_sep_.

void core::scoring::hbonds::HBEvalTuple::sequence_sep

(

HBSeqSep

seqsep

)

References seq_sep_, and update_hbevaltype().

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

inline

References seq_sep_.

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

private

References acc_type_, don_type_, eval_type_, core::scoring::hbonds::HBEval_lookup, and seq_sep_.

Referenced by acc_type(), don_type(), HBEvalTuple(), and sequence_sep().

Friends And Related Function Documentation

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

friend

Member Data Documentation

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

private

Referenced by acc_type(), HBEvalTuple(), operator=(), core::scoring::hbonds::operator==(), and update_hbevaltype().

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

private

Referenced by don_type(), HBEvalTuple(), operator=(), core::scoring::hbonds::operator==(), and update_hbevaltype().

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

private

Referenced by eval_type(), HBEvalTuple(), operator=(), core::scoring::hbonds::operator==(), and update_hbevaltype().

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

private

Referenced by HBEvalTuple(), operator=(), core::scoring::hbonds::operator==(), sequence_sep(), and update_hbevaltype().

---

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

• src/core/scoring/hbonds/HBEvalTuple.hh
• src/core/scoring/hbonds/HBEvalTuple.cc