core::scoring::ResidueExclParams Class Reference

#include <GenericBondedPotential.hh>

Inheritance diagram for core::scoring::ResidueExclParams:

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

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

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

inline

References atm_excluded_.

Referenced by create_excl_info().

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

inline

References atm_excluded_.

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().

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

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

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

inline

References bondnos_.

Referenced by create_excl_info().

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

inline

References fully_counted_.

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

inline

References fully_counted_.

Referenced by create_excl_info().

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

inline

References fully_excluded_1b_.

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

inline

References fully_excluded_1b_.

Referenced by create_excl_info().

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

inline

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

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

inline

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

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().

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

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

Referenced by create_excl_info().

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

inline

References bondnos_.

Referenced by create_excl_info().

Member Data Documentation

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

private

Referenced by atm_excluded(), and ResidueExclParams().

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

private

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

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

private

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

bool core::scoring::ResidueExclParams::fully_counted_

private

Referenced by create_excl_info(), and fully_counted().

bool core::scoring::ResidueExclParams::fully_excluded_1b_

private

Referenced by create_excl_info(), and fully_excluded_1b().

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

private

Referenced by create_excl_info().

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

private

Referenced by rsd1type(), and same_rsdpairs().

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