core::pack::dunbrack::PeptoidOmegaReporter Class Reference

#include <PeptoidDOFReporters.hh>

Inheritance diagram for core::pack::dunbrack::PeptoidOmegaReporter:

Public Member Functions
	PeptoidOmegaReporter (Real const neutral_omega)
	~PeptoidOmegaReporter () override
Real	get_dof (conformation::Residue const &rsd, pose::Pose const &pose) const override
void	insert_atoms_defining_dof (conformation::Residue const &rsd, pose::Pose const &pose, std::set< id::PartialAtomID > &atoms) const override
Public Member Functions inherited from core::pack::dunbrack::ResidueDOFReporter
	ResidueDOFReporter ()
	~ResidueDOFReporter () override

Private Attributes
Real const	peptoid_neutral_omega_

Constructor & Destructor Documentation

PeptoidOmegaReporter()

core::pack::dunbrack::PeptoidOmegaReporter::PeptoidOmegaReporter

(

Real const

neutral_omega

)

~PeptoidOmegaReporter()

core::pack::dunbrack::PeptoidOmegaReporter::~PeptoidOmegaReporter ( )

overridedefault

Member Function Documentation

get_dof()

Real core::pack::dunbrack::PeptoidOmegaReporter::get_dof ( conformation::Residue const &  rsd, pose::Pose const &  pose  ) const

overridevirtual

Note

Ugh, it's real ugly to require that the atoms that define the omega dof live in the Pose

Implements core::pack::dunbrack::ResidueDOFReporter.

References core::conformation::Residue::chain(), core::conformation::Conformation::chain_end(), core::pose::Pose::conformation(), core::chemical::CTERM_CONNECT, core::conformation::Residue::has_variant_type(), core::conformation::Residue::is_lower_terminus(), core::conformation::Residue::is_peptoid(), core::conformation::Residue::is_protein(), core::chemical::ResidueType::lower_connect_id(), core::conformation::Residue::mainchain_torsion(), core::conformation::Residue::mainchain_torsions(), core::chemical::NTERM_CONNECT, core::conformation::Conformation::num_chains(), peptoid_neutral_omega_, core::pose::Pose::residue(), core::conformation::Residue::residue_connection_partner(), core::pose::Pose::size(), and core::conformation::Residue::type().

insert_atoms_defining_dof()

void core::pack::dunbrack::PeptoidOmegaReporter::insert_atoms_defining_dof ( conformation::Residue const &  rsd, pose::Pose const &  pose, std::set< id::PartialAtomID > &  atoms  ) const

overridevirtual

Implements core::pack::dunbrack::ResidueDOFReporter.

References core::conformation::Residue::chain(), core::conformation::Conformation::chain_end(), core::pose::Pose::conformation(), core::chemical::CTERM_CONNECT, core::conformation::Residue::has_variant_type(), core::chemical::ResidueConnection::index(), core::conformation::Residue::is_lower_terminus(), core::conformation::Residue::is_peptoid(), core::conformation::Residue::is_protein(), core::conformation::Residue::lower_connect(), core::chemical::ResidueType::lower_connect_id(), core::conformation::Residue::mainchain_atoms(), core::chemical::NTERM_CONNECT, core::conformation::Conformation::num_chains(), core::pose::Pose::residue(), core::conformation::Residue::residue_connection_conn_id(), core::conformation::Residue::residue_connection_partner(), core::conformation::Residue::seqpos(), core::pose::Pose::size(), and core::conformation::Residue::type().

Member Data Documentation

peptoid_neutral_omega_

Real const core::pack::dunbrack::PeptoidOmegaReporter::peptoid_neutral_omega_

private

Referenced by get_dof().

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

• src/core/pack/dunbrack/PeptoidDOFReporters.hh
• src/core/pack/dunbrack/PeptoidDOFReporters.cc