protocols::match::downstream::TargetRotamerCoords Class Reference

#include <SecondaryMatcherToUpstreamResidue.hh>

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

Collaboration diagram for protocols::match::downstream::TargetRotamerCoords:

Public Types
typedef core::Size	Size
typedef core::Vector	Vector

Public Member Functions
	TargetRotamerCoords ()
virtual	~TargetRotamerCoords ()
void	set_num_restypes (Size n_restypes)
void	set_restype (Size restype_index, core::chemical::ResidueTypeCOP restype)
void	set_required_atoms (Size restype_index, utility::vector1< bool > const &atom_required)
void	set_num_target_rotamers (utility::vector1< Size > const &n_rotamers_per_target_restype)
void	set_num_target_rotamers (Size target_restype_id, Size n_rotamers)
void	set_coordinates_for_rotamer (Size restype_index, Size rotamer_index, Hit const &hit, core::conformation::Residue const &rescoords)
Size	n_restypes () const
core::chemical::ResidueTypeCOP	restype (Size restype_index) const
Size	n_rots_total () const
Size	n_rotamers_for_restype (Size restype_id) const
Size	n_atoms_for_restype (Size restype_id) const
Vector const &	coord (Size restype_index, Size rotamer_index, Size which_atom) const
Size	restype_atomno (Size restype_index, Size which_atom) const
Hit const &	hit (Size restype_index, Size rotamer_index) const
void	set_clash_checking (Size rotamer_index)
bool	get_clash_checking (Size rotamer_index)
void	set_coords_for_clash_check (Size rotamer_index, utility::vector1< Vector > &coords)
utility::vector1< Vector >	get_coords_for_clash_check (Size rotamer_index)
void	set_clash_check_types (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< Size > >	atom_ids_for_coordinates_
utility::vector1 < ObjexxFCL::FArray2D< Vector > >	coords_
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_

Detailed Description

Definition at line 252 of file SecondaryMatcherToUpstreamResidue.hh.

Member Typedef Documentation

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

Definition at line 255 of file SecondaryMatcherToUpstreamResidue.hh.

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

Definition at line 256 of file SecondaryMatcherToUpstreamResidue.hh.

Constructor & Destructor Documentation

protocols::match::downstream::TargetRotamerCoords::TargetRotamerCoords

(

)

Definition at line 696 of file SecondaryMatcherToUpstreamResidue.cc.

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

virtual

Definition at line 701 of file SecondaryMatcherToUpstreamResidue.cc.

Member Function Documentation

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

inline

Definition at line 309 of file SecondaryMatcherToUpstreamResidue.hh.

References coords_.

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

inline

Definition at line 339 of file SecondaryMatcherToUpstreamResidue.hh.

References build_coords_for_clash_checking_.

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

inline

Definition at line 353 of file SecondaryMatcherToUpstreamResidue.hh.

References coords_for_clash_checking_.

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

inline

Definition at line 375 of file SecondaryMatcherToUpstreamResidue.hh.

References ds_atom_ids_needed_.

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

inline

Definition at line 326 of file SecondaryMatcherToUpstreamResidue.hh.

References hit_data_.

Referenced by set_coordinates_for_rotamer().

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

inline

Definition at line 304 of file SecondaryMatcherToUpstreamResidue.hh.

References atom_ids_for_coordinates_.

Referenced by set_coordinates_for_rotamer().

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

inline

Definition at line 284 of file SecondaryMatcherToUpstreamResidue.hh.

References target_restypes_.

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

inline

Definition at line 299 of file SecondaryMatcherToUpstreamResidue.hh.

References coords_.

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

inline

Definition at line 294 of file SecondaryMatcherToUpstreamResidue.hh.

References n_rots_total_.

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

inline

Definition at line 289 of file SecondaryMatcherToUpstreamResidue.hh.

References target_restypes_.

Referenced by set_restype().

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

inline

Definition at line 318 of file SecondaryMatcherToUpstreamResidue.hh.

References atom_ids_for_coordinates_.

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

inline

Definition at line 360 of file SecondaryMatcherToUpstreamResidue.hh.

References build_coords_for_clash_checking_, and coords_for_clash_checking_.

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

inline

Definition at line 334 of file SecondaryMatcherToUpstreamResidue.hh.

References build_coords_for_clash_checking_.

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

Definition at line 779 of file SecondaryMatcherToUpstreamResidue.cc.

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

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

inline

Definition at line 344 of file SecondaryMatcherToUpstreamResidue.hh.

References coords_for_clash_checking_.

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

inline

Definition at line 368 of file SecondaryMatcherToUpstreamResidue.hh.

References ds_atom_ids_needed_.

void protocols::match::downstream::TargetRotamerCoords::set_num_restypes

(

Size

n_restypes)

Definition at line 703 of file SecondaryMatcherToUpstreamResidue.cc.

References atom_ids_for_coordinates_, coords_, hit_data_, and target_restypes_.

void protocols::match::downstream::TargetRotamerCoords::set_num_target_rotamers

(

utility::vector1< Size > const &

n_rotamers_per_target_restype)

Definition at line 738 of file SecondaryMatcherToUpstreamResidue.cc.

References atom_ids_for_coordinates_, coords_, hit_data_, n_rots_total_, core::io::serialization::size(), and target_restypes_.

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

Definition at line 758 of file SecondaryMatcherToUpstreamResidue.cc.

References atom_ids_for_coordinates_, coords_, hit_data_, n_rots_total_, and core::io::serialization::size().

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

Definition at line 718 of file SecondaryMatcherToUpstreamResidue.cc.

References atom_ids_for_coordinates_, and target_restypes_.

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

Definition at line 711 of file SecondaryMatcherToUpstreamResidue.cc.

References restype(), and target_restypes_.

Member Data Documentation

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

private

Definition at line 383 of file SecondaryMatcherToUpstreamResidue.hh.

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

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

private

Definition at line 391 of file SecondaryMatcherToUpstreamResidue.hh.

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

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

private

Definition at line 384 of file SecondaryMatcherToUpstreamResidue.hh.

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

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

private

Definition at line 393 of file SecondaryMatcherToUpstreamResidue.hh.

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

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

private

Definition at line 392 of file SecondaryMatcherToUpstreamResidue.hh.

Referenced by get_ds_atom_ids_needed(), and set_ds_atom_ids_needed().

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

private

Definition at line 389 of file SecondaryMatcherToUpstreamResidue.hh.

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

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

private

Definition at line 385 of file SecondaryMatcherToUpstreamResidue.hh.

Referenced by n_rots_total(), and set_num_target_rotamers().

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

private

Definition at line 382 of file SecondaryMatcherToUpstreamResidue.hh.

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

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

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