Rosetta: core::scoring::ResidueExclParams Class Reference

Rosetta

#include <GenericBondedPotential.hh>

Inheritance diagram for core::scoring::ResidueExclParams:

Inheritance graph

[legend]

Public Member Functions
	ResidueExclParams (core::chemical::ResidueTypeCOP rsd_type, bool const score_full, bool const score_hybrid)

void	create_excl_info (bool const score_full, bool const score_hybrid)

void	fully_counted (bool const value)

bool	fully_counted () const

void	fully_excluded_1b (bool const value)

bool	fully_excluded_1b () const

void	atm_excluded (Size i, bool value)

bool	atm_excluded (Size i) const

void	store_by_bondno (Size i)

bool	find_by_bondno (Size i) const

void	store_by_atmpairno (Size i, Size j)

bool	find_by_atmpairno (Size i, Size j) const

void	rsd1type (core::chemical::ResidueType const &rsdtype)

void	rsd2type (core::chemical::ResidueType const &rsdtype)

bool	same_rsdpairs (core::conformation::Residue const &rsd1, core::conformation::Residue const &rsd2) const

Private Attributes
bool	fully_counted_

bool	fully_excluded_1b_

std::string	rsdtype1_

std::string	rsdtype2_

utility::vector1< bool >	atm_excluded_

utility::vector1< bool >	bondnos_

std::unordered_map< uint64_t, bool >	atmpairnos_

core::chemical::ResidueTypeCOP	rsd_type_

Constructor & Destructor Documentation

◆ ResidueExclParams()

core::scoring::ResidueExclParams::ResidueExclParams	(	core::chemical::ResidueTypeCOP	rsd_type,
		bool const	score_full,
		bool const	score_hybrid
	)

References atm_excluded_, atmpairnos_, bondnos_, and create_excl_info().

Member Function Documentation

◆ atm_excluded() [1/2]

bool core::scoring::ResidueExclParams::atm_excluded ( Size i ) const

inline

References atm_excluded_.

◆ atm_excluded() [2/2]

void core::scoring::ResidueExclParams::atm_excluded	(	Size	i,
		bool	value
	)

inline

References atm_excluded_.

Referenced by create_excl_info().

◆ create_excl_info()

void core::scoring::ResidueExclParams::create_excl_info	(	bool const	score_full,
		bool const	score_hybrid
	)

References core::chemical::ResidueTypeBase::aa(), core::chemical::aa_unk, atm_excluded(), core::chemical::ResidueType::atom_name(), core::chemical::ResidueType::atom_type_index(), core::chemical::ResidueTypeBase::backbone_aa(), core::chemical::ResidueType::dihedral(), find_by_bondno(), fully_counted(), fully_counted_, fully_excluded_1b(), fully_excluded_1b_, core::chemical::get_L_equivalent(), core::chemical::ResidueTypeBase::get_rama_prepro_map_file_name(), core::chemical::is_canonical_D_aa(), core::chemical::ResidueType::is_metal(), core::chemical::ResidueTypeBase::is_polymer(), core::chemical::ResidueType::is_virtual(), core::chemical::ResidueType::is_virtual_residue(), core::chemical::ResidueType::is_water(), core::chemical::ResidueType::last_backbone_atom(), core::chemical::ResidueType::lower_connect_atom(), core::chemical::ResidueType::lower_connect_id(), core::chemical::ResidueTypeBase::name(), core::chemical::ResidueTypeBase::name3(), core::chemical::name_from_aa(), core::chemical::ResidueType::natoms(), core::chemical::ResidueType::ndihe(), core::chemical::ResidueType::path_distance(), core::chemical::ResidueTypeBase::rotamer_library_specification(), rsd_type_, store_by_atmpairno(), store_by_bondno(), core::scoring::TR(), core::chemical::ResidueType::upper_connect_atom(), and core::chemical::ResidueType::upper_connect_id().

Referenced by ResidueExclParams().

◆ find_by_atmpairno()

bool core::scoring::ResidueExclParams::find_by_atmpairno	(	Size	i,
		Size	j
	)		const

References atmpairnos_, and core::scoring::get_parameter_hash().

◆ find_by_bondno()

bool core::scoring::ResidueExclParams::find_by_bondno ( Size i ) const

inline

References bondnos_.

Referenced by create_excl_info().

◆ fully_counted() [1/2]

bool core::scoring::ResidueExclParams::fully_counted ( ) const

inline

References fully_counted_.

Referenced by create_excl_info().

◆ fully_counted() [2/2]

void core::scoring::ResidueExclParams::fully_counted ( bool const value )

inline

References fully_counted_.

◆ fully_excluded_1b() [1/2]

bool core::scoring::ResidueExclParams::fully_excluded_1b ( ) const

inline

References fully_excluded_1b_.

Referenced by create_excl_info().

◆ fully_excluded_1b() [2/2]

void core::scoring::ResidueExclParams::fully_excluded_1b ( bool const value )

inline

References fully_excluded_1b_.

◆ rsd1type()

void core::scoring::ResidueExclParams::rsd1type ( core::chemical::ResidueType const & rsdtype )

inline

References core::chemical::ResidueTypeBase::name(), and rsdtype1_.

◆ rsd2type()

void core::scoring::ResidueExclParams::rsd2type ( core::chemical::ResidueType const & rsdtype )

inline

References core::chemical::ResidueTypeBase::name(), and rsdtype2_.

◆ same_rsdpairs()

bool core::scoring::ResidueExclParams::same_rsdpairs	(	core::conformation::Residue const &	rsd1,
		core::conformation::Residue const &	rsd2
	)		const

inline

References core::chemical::ResidueTypeBase::name(), rsdtype1_, rsdtype2_, and core::conformation::Residue::type().

◆ store_by_atmpairno()

void core::scoring::ResidueExclParams::store_by_atmpairno	(	Size	i,
		Size	j
	)

References atmpairnos_, and core::scoring::get_parameter_hash().

Referenced by create_excl_info().

◆ store_by_bondno()

void core::scoring::ResidueExclParams::store_by_bondno ( Size i )

inline

References bondnos_.

Referenced by create_excl_info().

Member Data Documentation

◆ atm_excluded_

utility::vector1< bool > core::scoring::ResidueExclParams::atm_excluded_

private

Referenced by atm_excluded(), and ResidueExclParams().

◆ atmpairnos_

std::unordered_map< uint64_t, bool > core::scoring::ResidueExclParams::atmpairnos_

private

Referenced by find_by_atmpairno(), ResidueExclParams(), and store_by_atmpairno().

◆ bondnos_

utility::vector1< bool > core::scoring::ResidueExclParams::bondnos_

private

Referenced by find_by_bondno(), ResidueExclParams(), and store_by_bondno().

◆ fully_counted_

bool core::scoring::ResidueExclParams::fully_counted_

private

Referenced by create_excl_info(), and fully_counted().

◆ fully_excluded_1b_

bool core::scoring::ResidueExclParams::fully_excluded_1b_

private

Referenced by create_excl_info(), and fully_excluded_1b().

◆ rsd_type_

core::chemical::ResidueTypeCOP core::scoring::ResidueExclParams::rsd_type_

private

Referenced by create_excl_info().

◆ rsdtype1_

std::string core::scoring::ResidueExclParams::rsdtype1_

private

Referenced by rsd1type(), and same_rsdpairs().

◆ rsdtype2_

std::string core::scoring::ResidueExclParams::rsdtype2_

private

Referenced by rsd2type(), and same_rsdpairs().

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

src/core/scoring/GenericBondedPotential.hh
src/core/scoring/GenericBondedPotential.cc