#include <HBondSet.hh>

Inheritance diagram for core::scoring::hbonds::HBond:

Public Member Functions
	~HBond () override
	Automatically generated virtual destructor for class deriving directly from VirtualBase. More...

	HBond (Size const dhatm, bool const dhatm_is_protein_backbone, bool const dres_is_protein, bool const dres_is_dna, bool const dhatm_is_backbone, Size const dres, Size const aatm, bool const aatm_is_protein_backbone, bool const ares_is_protein, bool const ares_is_dna, bool const aatm_is_backbone, Size const ares, HBEvalTuple const &hbe_tuple, Real const energy_in, Real const weight_in, HBondDerivs const &derivs_in)

HBondCOP	get_self_ptr () const
	self pointers More...

HBondOP	get_self_ptr ()

Size	don_res () const

Size	don_hatm () const

bool	don_hatm_is_protein_backbone () const
	needed for silly allow logic More...

bool	don_res_is_protein () const

bool	don_res_is_dna () const

bool	don_hatm_is_backbone () const
	needed for silly allow logic More...

Size	acc_res () const

Size	acc_atm () const

bool	acc_atm_is_protein_backbone () const
	needed for silly allow logic More...

bool	acc_res_is_protein () const

bool	acc_res_is_dna () const

bool	acc_atm_is_backbone () const
	needed for silly allow logic More...

Real	energy () const
	NOTE: this is unweighted energy, see weight() for the weight. More...

Real	weight () const
	The environmental weight for a hydrogen bond – always 1 if environmental dependence is not enabled. More...

Real	don_npd_weight () const

Real	acc_npd_weight () const

void	don_npd_weight (Real setting)

void	acc_npd_weight (Real setting)

Size	index () const

void	index (Size setting)

Size	don_index () const

void	don_index (Size setting)

Size	acc_index () const

void	acc_index (Size setting)

HBondDerivs const &	derivs () const

HBEvalType	eval_type () const
	The HBEval type encodes the evaluation type as a single enum value. More...

HBEvalTuple const &	eval_tuple () const
	The HBEvalTuple is a tuple of enums for each dimension of the evaluation type. More...

bool	atom_is_donorH (id::AtomID const &atom) const

bool	atom_is_acceptor (id::AtomID const &atom) const

void	show (std::ostream &out) const
	a bare bones description of the data contained in the hbond object More...

void	show (pose::Pose const &pose, bool const print_header, std::ostream &out) const
	a prettier, more interpretable description of an hbond, including pdb identified residues and the geometric dimensions of the hydrogen bond. More...

void	show (pose::Pose const &pose, bool const print_header=true) const

Real	get_HAdist (pose::Pose const &pose) const

Real	get_AHDangle (pose::Pose const &pose) const

Real	get_BAHangle (pose::Pose const &pose) const

Real	get_BAtorsion (pose::Pose const &pose) const

Static Public Member Functions
static bool	hbond_energy_comparer (HBondCOP a, HBondCOP b)

Private Attributes
Size	don_hatm_

bool	don_hatm_is_protein_backbone_

bool	don_res_is_protein_

bool	don_res_is_dna_

bool	don_hatm_is_backbone_

Size	don_res_

Size	acc_atm_

bool	acc_atm_is_protein_backbone_

bool	acc_res_is_protein_

bool	acc_res_is_dna_

bool	acc_atm_is_backbone_

Size	acc_res_

HBEvalTuple	eval_tuple_

Real	energy_

Real	weight_

Real	don_npd_weight_

Real	acc_npd_weight_

HBondDerivs	derivs_

Size	index_

Size	don_index_

Size	acc_index_

Friends
std::ostream &	operator<< (std::ostream &out, const HBond &hbond)

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

Constructor & Destructor Documentation

◆ ~HBond()

core::scoring::hbonds::HBond::~HBond ( )

overridedefault

Automatically generated virtual destructor for class deriving directly from VirtualBase.

Auto-generated virtual destructor

◆ HBond()

core::scoring::hbonds::HBond::HBond	(	Size const	dhatm,
		bool const	dhatm_is_protein_backbone,
		bool const	dres_is_protein,
		bool const	dres_is_dna,
		bool const	dhatm_is_backbone,
		Size const	dres,
		Size const	aatm,
		bool const	aatm_is_protein_backbone,
		bool const	ares_is_protein,
		bool const	ares_is_dna,
		bool const	aatm_is_backbone,
		Size const	ares,
		HBEvalTuple const &	hbe_tuple,
		Real const	energy_in,
		Real const	weight_in,
		HBondDerivs const &	derivs_in
	)

Member Function Documentation

◆ acc_atm()

Size core::scoring::hbonds::HBond::acc_atm ( ) const

References acc_atm_.

Referenced by protocols::hydrate::calculate_water_overcoordinated_hb_correction(), protocols::cyclic_peptide::OversaturatedHbondAcceptorFilter::compute(), protocols::hbnet::UnsatSelector::compute(), protocols::simple_filters::InterfaceHbondsFilter::compute_hbonds(), core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::detect_intra_residue_hydrogen_bonds(), core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::detect_intra_residue_hydrogen_bonds_symmetric(), protocols::normalmode::NormalModeMultifunc::dump(), core::optimization::AtomTreeMultifunc::dump(), core::optimization::CartesianMultifunc::dump(), core::optimization::symmetry::SymAtomTreeMultifunc::dump(), core::energy_methods::NPDHBondEnergy::eval_atom_derivative(), protocols::pockets::GenPharmacophore::extract_Hbond_atoms_from_protein_rna_complex(), get_AHDangle(), get_BAHangle(), get_BAtorsion(), get_HAdist(), core::energy_methods::FreeDOF_Energy::get_hbond_energy(), protocols::protein_interface_design::hbonded_atom(), protocols::hydrate::hydrate_cavities(), core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraph::initialize_graph_for_packing(), protocols::moves::PyMOLMover::send_hbonds(), show(), and protocols::hydrate::show_water_hb_network().

◆ acc_atm_is_backbone()

bool core::scoring::hbonds::HBond::acc_atm_is_backbone ( ) const

needed for silly allow logic

References acc_atm_is_backbone_.

◆ acc_atm_is_protein_backbone()

bool core::scoring::hbonds::HBond::acc_atm_is_protein_backbone ( ) const

needed for silly allow logic

References acc_atm_is_protein_backbone_.

Referenced by core::scoring::hbonds::HBondSet::allow_hbond(), protocols::task_operations::SelectByDeltaScoreOperation::apply(), protocols::hydrate::calculate_water_overcoordinated_hb_correction(), protocols::hbnet::UnsatSelector::compute(), protocols::simple_filters::TaskAwareScoreTypeFilter::compute(), protocols::protein_interface_design::hbonded(), protocols::protein_interface_design::hbonded_atom(), and protocols::hydrate::show_water_hb_network().

◆ acc_index() [1/2]

Size core::scoring::hbonds::HBond::acc_index ( ) const

References acc_index_.

◆ acc_index() [2/2]

void core::scoring::hbonds::HBond::acc_index ( Size setting )

References acc_index_.

◆ acc_npd_weight() [1/2]

Real core::scoring::hbonds::HBond::acc_npd_weight ( ) const

References acc_npd_weight_.

Referenced by core::energy_methods::NPDHBondEnergy::eval_atom_derivative(), core::energy_methods::NPDHBondEnergy::finalize_total_energy(), and core::scoring::hbonds::NPDHBondSet::sum_dEtot_dEhb_for_atom().

◆ acc_npd_weight() [2/2]

void core::scoring::hbonds::HBond::acc_npd_weight ( Real setting )

References acc_npd_weight_.

◆ acc_res()

Size core::scoring::hbonds::HBond::acc_res ( ) const

References acc_res_.

Referenced by core::scoring::hbonds::HBondSet::allow_hbond(), protocols::task_operations::SelectByDeltaScoreOperation::apply(), protocols::hydrate::calculate_water_overcoordinated_hb_correction(), protocols::simple_filters::TaskAwareScoreTypeFilter::compute(), protocols::simple_filters::InterfaceHbondsFilter::compute_hbonds(), core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::detect_intra_residue_hydrogen_bonds_symmetric(), protocols::normalmode::NormalModeMultifunc::dump(), core::optimization::AtomTreeMultifunc::dump(), core::optimization::CartesianMultifunc::dump(), core::optimization::symmetry::SymAtomTreeMultifunc::dump(), core::energy_methods::NPDHBondEnergy::eval_atom_derivative(), protocols::pockets::GenPharmacophore::extract_Hbond_atoms_from_protein_rna_complex(), core::energy_methods::NPDHBondEnergy::finalize_total_energy(), get_AHDangle(), get_BAHangle(), get_BAtorsion(), get_HAdist(), core::energy_methods::FreeDOF_Energy::get_hbond_energy(), protocols::loop_grower::LoopGrower::get_resrange_hbond_energy(), protocols::protein_interface_design::hbonded(), protocols::protein_interface_design::hbonded_atom(), core::scoring::hbonds::HBondSet::HBondSet(), protocols::hydrate::hydrate_cavities(), core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraph::initialize_graph_for_packing(), core::scoring::hbonds::next_hb_res(), protocols::loop_grower::LoopGrower::nton3_hbond_score(), protocols::moves::PyMOLMover::send_hbonds(), protocols::loop_grower::SheetSampler::sheethbonds(), show(), core::scoring::hbonds::HBondSet::show(), core::scoring::hbonds::NPDHBondSet::show(), and protocols::hydrate::show_water_hb_network().

◆ acc_res_is_dna()

bool core::scoring::hbonds::HBond::acc_res_is_dna ( ) const

References acc_res_is_dna_.

◆ acc_res_is_protein()

bool core::scoring::hbonds::HBond::acc_res_is_protein ( ) const

References acc_res_is_protein_.

◆ atom_is_acceptor()

bool core::scoring::hbonds::HBond::atom_is_acceptor ( id::AtomID const & atom ) const

References acc_atm_, acc_res_, core::id::AtomID::atomno(), and core::id::AtomID::rsd().

◆ atom_is_donorH()

bool core::scoring::hbonds::HBond::atom_is_donorH ( id::AtomID const & atom ) const

References core::id::AtomID::atomno(), don_hatm_, don_res_, and core::id::AtomID::rsd().

◆ derivs()

HBondDerivs const & core::scoring::hbonds::HBond::derivs ( ) const

References derivs_.

◆ don_hatm()

Size core::scoring::hbonds::HBond::don_hatm ( ) const

References don_hatm_.

Referenced by protocols::hbnet::UnsatSelector::compute(), protocols::simple_filters::InterfaceHbondsFilter::compute_hbonds(), core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::detect_intra_residue_hydrogen_bonds(), core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::detect_intra_residue_hydrogen_bonds_symmetric(), protocols::normalmode::NormalModeMultifunc::dump(), core::optimization::AtomTreeMultifunc::dump(), core::optimization::CartesianMultifunc::dump(), core::optimization::symmetry::SymAtomTreeMultifunc::dump(), core::energy_methods::NPDHBondEnergy::eval_atom_derivative(), protocols::pockets::GenPharmacophore::extract_Hbond_atoms_from_protein_rna_complex(), get_AHDangle(), get_BAHangle(), get_BAtorsion(), get_HAdist(), core::energy_methods::FreeDOF_Energy::get_hbond_energy(), protocols::protein_interface_design::hbonded_atom(), protocols::hydrate::hydrate_cavities(), core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraph::initialize_graph_for_packing(), protocols::moves::PyMOLMover::send_hbonds(), show(), and protocols::hydrate::show_water_hb_network().

◆ don_hatm_is_backbone()

bool core::scoring::hbonds::HBond::don_hatm_is_backbone ( ) const

needed for silly allow logic

References don_hatm_is_backbone_.

◆ don_hatm_is_protein_backbone()

bool core::scoring::hbonds::HBond::don_hatm_is_protein_backbone ( ) const

needed for silly allow logic

References don_hatm_is_protein_backbone_.

Referenced by core::scoring::hbonds::HBondSet::allow_hbond(), protocols::task_operations::SelectByDeltaScoreOperation::apply(), protocols::hydrate::calculate_water_overcoordinated_hb_correction(), protocols::hbnet::UnsatSelector::compute(), protocols::simple_filters::TaskAwareScoreTypeFilter::compute(), protocols::protein_interface_design::hbonded(), protocols::protein_interface_design::hbonded_atom(), and protocols::hydrate::show_water_hb_network().

◆ don_index() [1/2]

Size core::scoring::hbonds::HBond::don_index ( ) const

References don_index_.

◆ don_index() [2/2]

void core::scoring::hbonds::HBond::don_index ( Size setting )

References don_index_.

◆ don_npd_weight() [1/2]

Real core::scoring::hbonds::HBond::don_npd_weight ( ) const

References don_npd_weight_.

Referenced by core::energy_methods::NPDHBondEnergy::eval_atom_derivative(), core::energy_methods::NPDHBondEnergy::finalize_total_energy(), and core::scoring::hbonds::NPDHBondSet::sum_dEtot_dEhb_for_atom().

◆ don_npd_weight() [2/2]

void core::scoring::hbonds::HBond::don_npd_weight ( Real setting )

References don_npd_weight_.

◆ don_res()

Size core::scoring::hbonds::HBond::don_res ( ) const

References don_res_.

Referenced by core::scoring::hbonds::HBondSet::allow_hbond(), protocols::task_operations::SelectByDeltaScoreOperation::apply(), protocols::hydrate::calculate_water_overcoordinated_hb_correction(), protocols::simple_filters::TaskAwareScoreTypeFilter::compute(), protocols::simple_filters::InterfaceHbondsFilter::compute_hbonds(), core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::detect_intra_residue_hydrogen_bonds_symmetric(), protocols::normalmode::NormalModeMultifunc::dump(), core::optimization::AtomTreeMultifunc::dump(), core::optimization::CartesianMultifunc::dump(), core::optimization::symmetry::SymAtomTreeMultifunc::dump(), core::energy_methods::NPDHBondEnergy::eval_atom_derivative(), protocols::pockets::GenPharmacophore::extract_Hbond_atoms_from_protein_rna_complex(), core::energy_methods::NPDHBondEnergy::finalize_total_energy(), get_AHDangle(), get_BAHangle(), get_BAtorsion(), get_HAdist(), core::energy_methods::FreeDOF_Energy::get_hbond_energy(), protocols::loop_grower::LoopGrower::get_resrange_hbond_energy(), protocols::protein_interface_design::hbonded(), protocols::protein_interface_design::hbonded_atom(), core::scoring::hbonds::HBondSet::HBondSet(), protocols::hydrate::hydrate_cavities(), core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraph::initialize_graph_for_packing(), core::scoring::hbonds::next_hb_res(), protocols::loop_grower::LoopGrower::nton3_hbond_score(), protocols::moves::PyMOLMover::send_hbonds(), protocols::loop_grower::SheetSampler::sheethbonds(), show(), and protocols::hydrate::show_water_hb_network().

◆ don_res_is_dna()

bool core::scoring::hbonds::HBond::don_res_is_dna ( ) const

References don_res_is_dna_.

◆ don_res_is_protein()

bool core::scoring::hbonds::HBond::don_res_is_protein ( ) const

References don_res_is_protein_.

◆ energy()

Real core::scoring::hbonds::HBond::energy ( ) const

NOTE: this is unweighted energy, see weight() for the weight.

NOTE: this is unweighted energy, see weight() for the weight (weight ==> environmental weight; hbonds closer to the surface are weaker)

References energy_.

Referenced by protocols::task_operations::SelectByDeltaScoreOperation::apply(), protocols::hydrate::calculate_water_overcoordinated_hb_correction(), protocols::cyclic_peptide::OversaturatedHbondAcceptorFilter::compute(), protocols::hbnet::UnsatSelector::compute(), protocols::simple_filters::TaskAwareScoreTypeFilter::compute(), protocols::simple_filters::InterfaceHbondsFilter::compute_hbonds(), core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyNode::detect_intra_residue_hydrogen_bonds(), protocols::normalmode::NormalModeMultifunc::dump(), core::optimization::AtomTreeMultifunc::dump(), core::optimization::CartesianMultifunc::dump(), core::optimization::symmetry::SymAtomTreeMultifunc::dump(), core::energy_methods::NPDHBondEnergy::eval_atom_derivative(), core::energy_methods::NPDHBondEnergy::finalize_total_energy(), core::scoring::hbonds::get_hbond_energies(), core::energy_methods::FreeDOF_Energy::get_hbond_energy(), protocols::loop_grower::LoopGrower::get_resrange_hbond_energy(), protocols::hydrate::hydrate_cavities(), core::scoring::hbonds::identify_intra_res_hbonds(), core::pack::guidance_scoreterms::buried_unsat_penalty::graph::BuriedUnsatPenaltyGraph::initialize_graph_for_packing(), protocols::loop_grower::LoopGrower::nton3_hbond_score(), protocols::moves::PyMOLMover::send_hbonds(), protocols::loop_grower::SheetSampler::sheethbonds(), show(), protocols::hydrate::show_water_hb_network(), and core::scoring::hbonds::NPDHBondSet::sum_dEtot_dEhb_for_atom().

◆ eval_tuple()

HBEvalTuple const & core::scoring::hbonds::HBond::eval_tuple ( ) const

The HBEvalTuple is a tuple of enums for each dimension of the evaluation type.

References eval_tuple_.

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

◆ eval_type()

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

The HBEval type encodes the evaluation type as a single enum value.

References eval_tuple_, and core::scoring::hbonds::HBEvalTuple::eval_type().

Referenced by core::energy_methods::NPDHBondEnergy::finalize_total_energy(), core::scoring::hbonds::get_hbond_energies(), and core::energy_methods::FreeDOF_Energy::get_hbond_energy().

◆ get_AHDangle()

Real core::scoring::hbonds::HBond::get_AHDangle ( pose::Pose const & pose ) const

References acc_atm(), acc_res(), don_hatm(), don_res(), core::pose::Pose::residue(), and protocols::kinmatch::xyz().

Referenced by show().

◆ get_BAHangle()

Real core::scoring::hbonds::HBond::get_BAHangle ( pose::Pose const & pose ) const

References acc_atm(), acc_res(), don_hatm(), don_res(), core::pose::Pose::residue(), and protocols::kinmatch::xyz().

Referenced by show().

◆ get_BAtorsion()

Real core::scoring::hbonds::HBond::get_BAtorsion ( pose::Pose const & pose ) const

References acc_atm(), acc_res(), don_hatm(), don_res(), core::pose::Pose::residue(), and protocols::kinmatch::xyz().

Referenced by show().

◆ get_HAdist()

Real core::scoring::hbonds::HBond::get_HAdist ( pose::Pose const & pose ) const

References acc_atm(), acc_res(), don_hatm(), don_res(), core::pose::Pose::residue(), and protocols::kinmatch::xyz().

Referenced by show().

◆ get_self_ptr() [1/2]

HBondOP core::scoring::hbonds::HBond::get_self_ptr ( )

inline

◆ get_self_ptr() [2/2]

HBondCOP core::scoring::hbonds::HBond::get_self_ptr ( ) const

inline

self pointers

Referenced by protocols::design_opt::Supercharge::set_resfile().

◆ hbond_energy_comparer()

bool core::scoring::hbonds::HBond::hbond_energy_comparer	(	HBondCOP	a,
		HBondCOP	b
	)

static

References core::pose::motif::a(), and protocols::match::upstream::b.

Referenced by protocols::features::HBondFeatures::report_features(), and core::scoring::hbonds::HBondSet::sort_by_weighted_energy().

◆ index() [1/2]

Size core::scoring::hbonds::HBond::index ( ) const

References index_.

Referenced by core::energy_methods::NPDHBondEnergy::eval_atom_derivative(), and core::scoring::hbonds::NPDHBondSet::sum_dEtot_dEhb_for_atom().

◆ index() [2/2]

void core::scoring::hbonds::HBond::index ( Size setting )

References index_.

◆ show() [1/3]

void core::scoring::hbonds::HBond::show	(	pose::Pose const &	pose,
		bool const	print_header,
		std::ostream &	out
	)		const

a prettier, more interpretable description of an hbond, including pdb identified residues and the geometric dimensions of the hydrogen bond.

References protocols::comparative_modeling::features::A, acc_atm(), acc_res(), don_hatm(), don_res(), energy(), core::chemical::element::F, get_AHDangle(), get_BAHangle(), get_BAtorsion(), get_HAdist(), core::chemical::element::I, core::conformation::membrane::out, core::pose::Pose::pdb_info(), core::pose::Pose::residue(), and weight().

◆ show() [2/3]

void core::scoring::hbonds::HBond::show	(	pose::Pose const &	pose,
		bool const	print_header = `true`
	)		const

References show(), and core::scoring::hbonds::t().

◆ show() [3/3]

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

a bare bones description of the data contained in the hbond object

References acc_atm_, acc_atm_is_backbone_, acc_res_, acc_res_is_dna_, acc_res_is_protein_, don_hatm_, don_hatm_is_protein_backbone_, don_res_, don_res_is_dna_, don_res_is_protein_, energy_, eval_tuple_, core::scoring::hbonds::HBEvalTuple::eval_type(), core::conformation::membrane::out, and weight_.

Referenced by core::scoring::hbonds::HBondSet::show(), core::scoring::hbonds::NPDHBondSet::show(), and show().

◆ weight()

Real core::scoring::hbonds::HBond::weight ( ) const

The environmental weight for a hydrogen bond – always 1 if environmental dependence is not enabled.

References weight_.

Referenced by protocols::hydrate::calculate_water_overcoordinated_hb_correction(), protocols::cyclic_peptide::OversaturatedHbondAcceptorFilter::compute(), protocols::hbnet::UnsatSelector::compute(), protocols::normalmode::NormalModeMultifunc::dump(), core::optimization::AtomTreeMultifunc::dump(), core::optimization::CartesianMultifunc::dump(), core::optimization::symmetry::SymAtomTreeMultifunc::dump(), core::scoring::hbonds::get_hbond_energies(), core::energy_methods::FreeDOF_Energy::get_hbond_energy(), protocols::loop_grower::LoopGrower::get_resrange_hbond_energy(), core::scoring::hbonds::identify_intra_res_hbonds(), protocols::loop_grower::LoopGrower::nton3_hbond_score(), protocols::loop_grower::SheetSampler::sheethbonds(), show(), and protocols::hydrate::show_water_hb_network().

Friends And Related Function Documentation

◆ operator<<

std::ostream& operator<<	(	std::ostream &	out,
		const HBond &	hbond
	)

friend

◆ operator==

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

friend

Member Data Documentation

◆ acc_atm_

Size core::scoring::hbonds::HBond::acc_atm_

private

Referenced by acc_atm(), atom_is_acceptor(), and show().

◆ acc_atm_is_backbone_

bool core::scoring::hbonds::HBond::acc_atm_is_backbone_

private

Referenced by acc_atm_is_backbone(), and show().

◆ acc_atm_is_protein_backbone_

bool core::scoring::hbonds::HBond::acc_atm_is_protein_backbone_

private

Referenced by acc_atm_is_protein_backbone().

◆ acc_index_

Size core::scoring::hbonds::HBond::acc_index_

private

Referenced by acc_index().

◆ acc_npd_weight_

Real core::scoring::hbonds::HBond::acc_npd_weight_

private

Referenced by acc_npd_weight().

◆ acc_res_

Size core::scoring::hbonds::HBond::acc_res_

private

Referenced by acc_res(), atom_is_acceptor(), and show().

◆ acc_res_is_dna_

bool core::scoring::hbonds::HBond::acc_res_is_dna_

private

Referenced by acc_res_is_dna(), and show().

◆ acc_res_is_protein_

bool core::scoring::hbonds::HBond::acc_res_is_protein_

private

Referenced by acc_res_is_protein(), and show().

◆ derivs_

HBondDerivs core::scoring::hbonds::HBond::derivs_

private

Referenced by derivs().

◆ don_hatm_

Size core::scoring::hbonds::HBond::don_hatm_

private

Referenced by atom_is_donorH(), don_hatm(), and show().

◆ don_hatm_is_backbone_

bool core::scoring::hbonds::HBond::don_hatm_is_backbone_

private

Referenced by don_hatm_is_backbone().

◆ don_hatm_is_protein_backbone_

bool core::scoring::hbonds::HBond::don_hatm_is_protein_backbone_

private

Referenced by don_hatm_is_protein_backbone(), and show().

◆ don_index_

Size core::scoring::hbonds::HBond::don_index_

private

Referenced by don_index().

◆ don_npd_weight_

Real core::scoring::hbonds::HBond::don_npd_weight_

private

Referenced by don_npd_weight().

◆ don_res_

Size core::scoring::hbonds::HBond::don_res_

private

Referenced by atom_is_donorH(), don_res(), and show().

◆ don_res_is_dna_

bool core::scoring::hbonds::HBond::don_res_is_dna_

private

Referenced by don_res_is_dna(), and show().

◆ don_res_is_protein_

bool core::scoring::hbonds::HBond::don_res_is_protein_

private

Referenced by don_res_is_protein(), and show().

◆ energy_

Real core::scoring::hbonds::HBond::energy_

private

Referenced by energy(), and show().

◆ eval_tuple_

HBEvalTuple core::scoring::hbonds::HBond::eval_tuple_

private

Referenced by eval_tuple(), eval_type(), and show().

◆ index_

Size core::scoring::hbonds::HBond::index_

private

Referenced by index().

◆ weight_

Real core::scoring::hbonds::HBond::weight_

private

Referenced by show(), and weight().

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

src/core/scoring/hbonds/HBondSet.hh
src/core/scoring/hbonds/HBondSet.cc

Public Member Functions

Static Public Member Functions

Private Attributes

Friends

Constructor & Destructor Documentation

◆ ~HBond()

◆ HBond()

Member Function Documentation

◆ acc_atm()

◆ acc_atm_is_backbone()

◆ acc_atm_is_protein_backbone()

◆ acc_index() [1/2]

◆ acc_index() [2/2]

◆ acc_npd_weight() [1/2]

◆ acc_npd_weight() [2/2]

◆ acc_res()

◆ acc_res_is_dna()

◆ acc_res_is_protein()

◆ atom_is_acceptor()

◆ atom_is_donorH()

◆ derivs()

◆ don_hatm()

◆ don_hatm_is_backbone()

◆ don_hatm_is_protein_backbone()

◆ don_index() [1/2]

◆ don_index() [2/2]

◆ don_npd_weight() [1/2]

◆ don_npd_weight() [2/2]

◆ don_res()

◆ don_res_is_dna()

◆ don_res_is_protein()

◆ energy()

◆ eval_tuple()

◆ eval_type()

◆ get_AHDangle()

◆ get_BAHangle()

◆ get_BAtorsion()

◆ get_HAdist()

◆ get_self_ptr() [1/2]

◆ get_self_ptr() [2/2]

◆ hbond_energy_comparer()

◆ index() [1/2]

◆ index() [2/2]

◆ show() [1/3]

◆ show() [2/3]

◆ show() [3/3]

◆ weight()

Friends And Related Function Documentation

◆ operator<<

◆ operator==

Member Data Documentation

◆ acc_atm_

◆ acc_atm_is_backbone_

◆ acc_atm_is_protein_backbone_

◆ acc_index_

◆ acc_npd_weight_

◆ acc_res_

◆ acc_res_is_dna_

◆ acc_res_is_protein_

◆ derivs_

◆ don_hatm_

◆ don_hatm_is_backbone_

◆ don_hatm_is_protein_backbone_

◆ don_index_

◆ don_npd_weight_

◆ don_res_

◆ don_res_is_dna_

◆ don_res_is_protein_

◆ energy_

◆ eval_tuple_

◆ index_

◆ weight_