protocols::hotspot_hashing::HotspotStub Class Reference

#include <HotspotStub.hh>

Inheritance diagram for protocols::hotspot_hashing::HotspotStub:

Public Member Functions
	HotspotStub ()
	no-argument constructor REQUIRED FOR WINDOWS More...
	HotspotStub (core::conformation::ResidueCOP const &residue, core::Real const bonus_value, core::pose::PoseOP pose, core::Size chain_to_design, protocols::filters::FilterCOP filter)
	HotspotStub (HotspotStub const &src)
	~HotspotStub () override
HotspotStub &	operator= (HotspotStub const &src)
bool	operator< (HotspotStub const &right) const
core::Real	bonus_value () const
	Return this potential hotspot's bonus value. More...
core::conformation::ResidueCOP	residue () const
	Return the residue associated with this potential hotspot. More...
void	set_scaffold_status (core::Size const seqpos, StubStatus const status)
	Set status at position. More...
bool	get_scaffold_status (core::Size const seqpos)
	Get status at position (setting status if not set) More...
void	set_filter (protocols::filters::FilterCOP filter)
core::Size	get_nearest_residue (core::pose::Pose const &pose) const
	find the residue that's closest to the stub on chain_to_design_ More...

Private Member Functions
void	pair_with_scaffold ()
	Associate this stub with its set's scaffold for design. More...
void	pair_with_scaffold (core::pose::PoseOP pose, protocols::filters::FilterCOP filter, core::Size chain_to_design)
bool	scaffold_match (core::Size const seqpos)
	Check the stub's match to scaffold position. More...

Private Attributes
core::conformation::ResidueCOP	residue_
core::Real	bonus_value_
core::pose::PoseOP	pose_
protocols::filters::FilterCOP	filter_
core::Size	chain_to_design_
std::vector< StubStatus >	scaffold_status_

Friends
class	HotspotStubSet

Constructor & Destructor Documentation

protocols::hotspot_hashing::HotspotStub::HotspotStub ( )

inline

no-argument constructor REQUIRED FOR WINDOWS

protocols::hotspot_hashing::HotspotStub::HotspotStub	(	core::conformation::ResidueCOP const &	residue,
		core::Real const	bonus_value,
		core::pose::PoseOP	pose,
		core::Size	chain_to_design,
		protocols::filters::FilterCOP	filter
	)

protocols::hotspot_hashing::HotspotStub::HotspotStub ( HotspotStub const &  src )

default

protocols::hotspot_hashing::HotspotStub::~HotspotStub ( )

overridedefault

Member Function Documentation

core::Real protocols::hotspot_hashing::HotspotStub::bonus_value

(

)

const

Return this potential hotspot's bonus value.

References bonus_value_.

core::Size protocols::hotspot_hashing::HotspotStub::get_nearest_residue

(

core::pose::Pose const &

pose

)

const

find the residue that's closest to the stub on chain_to_design_

References core::conformation::Conformation::chain_begin(), core::conformation::Conformation::chain_end(), chain_to_design_, core::pose::Pose::conformation(), core::kinematics::distance(), residue(), core::pose::Pose::residue(), protocols::kinmatch::xyz(), and core::conformation::Residue::xyz().

bool protocols::hotspot_hashing::HotspotStub::get_scaffold_status

(

core::Size const

seqpos

)

Get status at position (setting status if not set)

Get status, setting if unchecked.

References protocols::hotspot_hashing::accept, chain_to_design_, pose_, scaffold_match(), scaffold_status_, and protocols::hotspot_hashing::unchecked.

bool protocols::hotspot_hashing::HotspotStub::operator<

(

HotspotStub const &

right

)

const

References bonus_value_.

HotspotStub & protocols::hotspot_hashing::HotspotStub::operator=

(

HotspotStub const &

src

)

References bonus_value_, chain_to_design_, filter_, pose_, residue_, and scaffold_status_.

void protocols::hotspot_hashing::HotspotStub::pair_with_scaffold ( )

private

Associate this stub with its set's scaffold for design.

create scaffold_status_ appropriate for given scaffold and set it all to unchecked

References chain_to_design_, pose_, scaffold_status_, and protocols::hotspot_hashing::unchecked.

void protocols::hotspot_hashing::HotspotStub::pair_with_scaffold ( core::pose::PoseOP  pose, protocols::filters::FilterCOP  filter, core::Size  chain_to_design  )

private

References chain_to_design_, filter_, pose_, scaffold_status_, and protocols::hotspot_hashing::unchecked.

core::conformation::ResidueCOP protocols::hotspot_hashing::HotspotStub::residue

(

)

const

Return the residue associated with this potential hotspot.

References residue_.

Referenced by get_nearest_residue().

bool protocols::hotspot_hashing::HotspotStub::scaffold_match ( core::Size const  seqpos )

private

Check the stub's match to scaffold position.

Check whether stub matches a given position on the scaffold (must be within max_distance)

References protocols::hotspot_hashing::accept, chain_to_design_, filter_, pose_, protocols::hotspot_hashing::reject, core::pose::remove_lower_terminus_type_from_pose_residue(), core::pose::remove_upper_terminus_type_from_pose_residue(), residue_, scaffold_status_, and protocols::hotspot_hashing::unchecked.

Referenced by get_scaffold_status().

void protocols::hotspot_hashing::HotspotStub::set_filter

(

protocols::filters::FilterCOP

filter

)

References filter_.

void protocols::hotspot_hashing::HotspotStub::set_scaffold_status	(	core::Size const	seqpos,
		StubStatus const	status
	)

Set status at position.

manually set scaffold status

References chain_to_design_, pose_, and scaffold_status_.

Friends And Related Function Documentation

friend class HotspotStubSet

friend

Member Data Documentation

core::Real protocols::hotspot_hashing::HotspotStub::bonus_value_

private

Referenced by bonus_value(), operator<(), and operator=().

core::Size protocols::hotspot_hashing::HotspotStub::chain_to_design_

private

Referenced by get_nearest_residue(), get_scaffold_status(), operator=(), pair_with_scaffold(), scaffold_match(), and set_scaffold_status().

protocols::filters::FilterCOP protocols::hotspot_hashing::HotspotStub::filter_

private

Referenced by operator=(), pair_with_scaffold(), scaffold_match(), and set_filter().

core::pose::PoseOP protocols::hotspot_hashing::HotspotStub::pose_

private

Referenced by get_scaffold_status(), operator=(), pair_with_scaffold(), scaffold_match(), and set_scaffold_status().

core::conformation::ResidueCOP protocols::hotspot_hashing::HotspotStub::residue_

private

Referenced by operator=(), residue(), and scaffold_match().

std::vector<StubStatus> protocols::hotspot_hashing::HotspotStub::scaffold_status_

private

Referenced by get_scaffold_status(), operator=(), pair_with_scaffold(), scaffold_match(), and set_scaffold_status().

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

• src/protocols/hotspot_hashing/HotspotStub.hh
• src/protocols/hotspot_hashing/HotspotStub.cc