#include <SecondaryMatcherToUpstreamResidue.hh>

Inheritance diagram for protocols::match::downstream::TargetRotamerCoords:

Public Types
typedef core::Size	Size

typedef core::Vector	Vector

Public Member Functions
	TargetRotamerCoords ()

	~TargetRotamerCoords () override

void	set_num_restypes (core::Size n_restypes)

void	set_restype (core::Size restype_index, core::chemical::ResidueTypeCOP restype)

void	set_required_atoms (core::Size restype_index, utility::vector1< bool > const &atom_required)

void	set_num_target_rotamers (utility::vector1< core::Size > const &n_rotamers_per_target_restype)

void	set_num_target_rotamers (core::Size target_restype_id, core::Size n_rotamers)

void	set_coordinates_for_rotamer (core::Size restype_index, core::Size rotamer_index, Hit const &hit, core::conformation::Residue const &rescoords)

core::Size	n_restypes () const

core::chemical::ResidueTypeCOP	restype (core::Size restype_index) const

core::Size	n_rots_total () const

core::Size	n_rotamers_for_restype (core::Size restype_id) const

core::Size	n_atoms_for_restype (core::Size restype_id) const

Vector const &	coord (core::Size restype_index, core::Size rotamer_index, core::Size which_atom) const

core::Size	restype_atomno (core::Size restype_index, core::Size which_atom) const

Hit const &	hit (core::Size restype_index, core::Size rotamer_index) const

void	set_clash_checking (core::Size rotamer_index)

bool	get_clash_checking (core::Size rotamer_index)

void	set_coords_for_clash_check (core::Size rotamer_index, utility::vector1< Vector > &coords)

utility::vector1< Vector >	get_coords_for_clash_check (core::Size rotamer_index)

void	set_clash_check_types (core::Size n_rotamers)

void	set_ds_atom_ids_needed (utility::vector1< core::id::AtomID > atom_ids)

utility::vector1< core::id::AtomID >	get_ds_atom_ids_needed ()

Private Attributes
utility::vector1< core::chemical::ResidueTypeCOP >	target_restypes_

utility::vector1< utility::vector1< core::Size > >	atom_ids_for_coordinates_

utility::vector1< ObjexxFCL::FArray2D< Vector > >	coords_

core::Size	n_rots_total_

utility::vector1< utility::vector1< Hit > >	hit_data_

utility::vector1< bool >	build_coords_for_clash_checking_

utility::vector1< core::id::AtomID >	ds_atom_ids_needed_

utility::vector1< utility::vector1< Vector > >	coords_for_clash_checking_

Member Typedef Documentation

◆ Size

typedef core::Size protocols::match::downstream::TargetRotamerCoords::Size

◆ Vector

typedef core::Vector protocols::match::downstream::TargetRotamerCoords::Vector

Constructor & Destructor Documentation

◆ TargetRotamerCoords()

protocols::match::downstream::TargetRotamerCoords::TargetRotamerCoords ( )

◆ ~TargetRotamerCoords()

protocols::match::downstream::TargetRotamerCoords::~TargetRotamerCoords ( )

overridedefault

Member Function Documentation

◆ coord()

Vector const& protocols::match::downstream::TargetRotamerCoords::coord	(	core::Size	restype_index,
		core::Size	rotamer_index,
		core::Size	which_atom
	)		const

inline

References coords_.

◆ get_clash_checking()

bool protocols::match::downstream::TargetRotamerCoords::get_clash_checking ( core::Size rotamer_index )

inline

References build_coords_for_clash_checking_.

◆ get_coords_for_clash_check()

utility::vector1< Vector > protocols::match::downstream::TargetRotamerCoords::get_coords_for_clash_check ( core::Size rotamer_index )

inline

References coords_for_clash_checking_.

◆ get_ds_atom_ids_needed()

utility::vector1< core::id::AtomID > protocols::match::downstream::TargetRotamerCoords::get_ds_atom_ids_needed ( )

inline

References ds_atom_ids_needed_.

◆ hit()

Hit const& protocols::match::downstream::TargetRotamerCoords::hit	(	core::Size	restype_index,
		core::Size	rotamer_index
	)		const

inline

References hit_data_.

Referenced by set_coordinates_for_rotamer().

◆ n_atoms_for_restype()

core::Size protocols::match::downstream::TargetRotamerCoords::n_atoms_for_restype ( core::Size restype_id ) const

inline

References atom_ids_for_coordinates_.

Referenced by set_coordinates_for_rotamer().

◆ n_restypes()

core::Size protocols::match::downstream::TargetRotamerCoords::n_restypes ( ) const

inline

References target_restypes_.

Referenced by set_num_restypes().

◆ n_rotamers_for_restype()

core::Size protocols::match::downstream::TargetRotamerCoords::n_rotamers_for_restype ( core::Size restype_id ) const

inline

References coords_.

◆ n_rots_total()

core::Size protocols::match::downstream::TargetRotamerCoords::n_rots_total ( ) const

inline

References n_rots_total_.

◆ restype()

core::chemical::ResidueTypeCOP protocols::match::downstream::TargetRotamerCoords::restype ( core::Size restype_index ) const

inline

References target_restypes_.

Referenced by set_restype().

◆ restype_atomno()

core::Size protocols::match::downstream::TargetRotamerCoords::restype_atomno	(	core::Size	restype_index,
		core::Size	which_atom
	)		const

inline

References atom_ids_for_coordinates_.

◆ set_clash_check_types()

void protocols::match::downstream::TargetRotamerCoords::set_clash_check_types ( core::Size n_rotamers )

inline

References build_coords_for_clash_checking_, and coords_for_clash_checking_.

◆ set_clash_checking()

void protocols::match::downstream::TargetRotamerCoords::set_clash_checking ( core::Size rotamer_index )

inline

References build_coords_for_clash_checking_.

◆ set_coordinates_for_rotamer()

void protocols::match::downstream::TargetRotamerCoords::set_coordinates_for_rotamer	(	core::Size	restype_index,
		core::Size	rotamer_index,
		Hit const &	hit,
		core::conformation::Residue const &	rescoords
	)

References atom_ids_for_coordinates_, coords_, hit(), hit_data_, n_atoms_for_restype(), and core::conformation::Residue::xyz().

◆ set_coords_for_clash_check()

void protocols::match::downstream::TargetRotamerCoords::set_coords_for_clash_check	(	core::Size	rotamer_index,
		utility::vector1< Vector > &	coords
	)

inline

References protocols::simple_filters::coords(), and coords_for_clash_checking_.

◆ set_ds_atom_ids_needed()

void protocols::match::downstream::TargetRotamerCoords::set_ds_atom_ids_needed ( utility::vector1< core::id::AtomID > atom_ids )

inline

References ds_atom_ids_needed_.

◆ set_num_restypes()

void protocols::match::downstream::TargetRotamerCoords::set_num_restypes ( core::Size n_restypes )

References atom_ids_for_coordinates_, coords_, hit_data_, n_restypes(), and target_restypes_.

◆ set_num_target_rotamers() [1/2]

void protocols::match::downstream::TargetRotamerCoords::set_num_target_rotamers	(	core::Size	target_restype_id,
		core::Size	n_rotamers
	)

References atom_ids_for_coordinates_, coords_, hit_data_, and n_rots_total_.

◆ set_num_target_rotamers() [2/2]

void protocols::match::downstream::TargetRotamerCoords::set_num_target_rotamers ( utility::vector1< core::Size > const & n_rotamers_per_target_restype )

References atom_ids_for_coordinates_, coords_, hit_data_, n_rots_total_, and target_restypes_.

◆ set_required_atoms()

void protocols::match::downstream::TargetRotamerCoords::set_required_atoms	(	core::Size	restype_index,
		utility::vector1< bool > const &	atom_required
	)

References atom_ids_for_coordinates_, and target_restypes_.

◆ set_restype()

void protocols::match::downstream::TargetRotamerCoords::set_restype	(	core::Size	restype_index,
		core::chemical::ResidueTypeCOP	restype
	)

References restype(), and target_restypes_.

Member Data Documentation

◆ atom_ids_for_coordinates_

utility::vector1< utility::vector1< core::Size > > protocols::match::downstream::TargetRotamerCoords::atom_ids_for_coordinates_

private

Referenced by n_atoms_for_restype(), restype_atomno(), set_coordinates_for_rotamer(), set_num_restypes(), set_num_target_rotamers(), and set_required_atoms().

◆ build_coords_for_clash_checking_

utility::vector1< bool > protocols::match::downstream::TargetRotamerCoords::build_coords_for_clash_checking_

private

Referenced by get_clash_checking(), set_clash_check_types(), and set_clash_checking().

◆ coords_

utility::vector1< ObjexxFCL::FArray2D< Vector > > protocols::match::downstream::TargetRotamerCoords::coords_

private

Referenced by coord(), n_rotamers_for_restype(), set_coordinates_for_rotamer(), set_num_restypes(), and set_num_target_rotamers().

◆ coords_for_clash_checking_

utility::vector1< utility::vector1< Vector > > protocols::match::downstream::TargetRotamerCoords::coords_for_clash_checking_

private

Referenced by get_coords_for_clash_check(), set_clash_check_types(), and set_coords_for_clash_check().

◆ ds_atom_ids_needed_

utility::vector1< core::id::AtomID > protocols::match::downstream::TargetRotamerCoords::ds_atom_ids_needed_

private

Referenced by get_ds_atom_ids_needed(), and set_ds_atom_ids_needed().

◆ hit_data_

utility::vector1< utility::vector1< Hit > > protocols::match::downstream::TargetRotamerCoords::hit_data_

private

Referenced by hit(), set_coordinates_for_rotamer(), set_num_restypes(), and set_num_target_rotamers().

◆ n_rots_total_

core::Size protocols::match::downstream::TargetRotamerCoords::n_rots_total_

private

Referenced by n_rots_total(), and set_num_target_rotamers().

◆ target_restypes_

utility::vector1< core::chemical::ResidueTypeCOP > protocols::match::downstream::TargetRotamerCoords::target_restypes_

private

Referenced by n_restypes(), restype(), set_num_restypes(), set_num_target_rotamers(), set_required_atoms(), and set_restype().

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

src/protocols/match/downstream/SecondaryMatcherToUpstreamResidue.hh
src/protocols/match/downstream/SecondaryMatcherToUpstreamResidue.cc

Public Types

Public Member Functions

Private Attributes

Member Typedef Documentation

◆ Size

◆ Vector

Constructor & Destructor Documentation

◆ TargetRotamerCoords()

◆ ~TargetRotamerCoords()

Member Function Documentation

◆ coord()

◆ get_clash_checking()

◆ get_coords_for_clash_check()

◆ get_ds_atom_ids_needed()

◆ hit()

◆ n_atoms_for_restype()

◆ n_restypes()

◆ n_rotamers_for_restype()

◆ n_rots_total()

◆ restype()

◆ restype_atomno()

◆ set_clash_check_types()

◆ set_clash_checking()

◆ set_coordinates_for_rotamer()

◆ set_coords_for_clash_check()

◆ set_ds_atom_ids_needed()

◆ set_num_restypes()

◆ set_num_target_rotamers() [1/2]

◆ set_num_target_rotamers() [2/2]

◆ set_required_atoms()

◆ set_restype()

Member Data Documentation

◆ atom_ids_for_coordinates_

◆ build_coords_for_clash_checking_

◆ coords_

◆ coords_for_clash_checking_

◆ ds_atom_ids_needed_

◆ hit_data_

◆ n_rots_total_

◆ target_restypes_