protocols::topology_broker::RigidChunkClaimer::JumpCalculator Class Reference

helper class – computes if we have all jupms needed to rigidify the chosen chunk and generate more jumps if needed. More...

Inheritance diagram for protocols::topology_broker::RigidChunkClaimer::JumpCalculator:

Public Member Functions
	JumpCalculator (loops::Loops const &rigid_, bool bAllowAdjacentJumps)
bool	good_jump (core::Size pos1, core::Size pos2)
	only called for relevant jumps: true if this jump helps us keeping things rigid, false if this jump connects rigid regions More...
bool	irrelevant_jump (core::Size pos1, core::Size pos2)
	this jump doesn't help — it doens't touch two of the rigid regions More...
void	generate_rigidity_jumps (RigidChunkClaimer *, claims::DofClaims &extra_jumps, std::string)
	get the missing jumps More...

Private Attributes
loops::Loops	rigid_
	what should be rigid More...
utility::vector1< core::Size >	visited_
	which residues have already been connected via jumps More...
core::Size	new_nr_
	how many new jumps More...
bool	bAllowAdjacentJumps_
	use loop-definition from alignment in ThreadingJob More...

Detailed Description

helper class – computes if we have all jupms needed to rigidify the chosen chunk and generate more jumps if needed.

Constructor & Destructor Documentation

protocols::topology_broker::RigidChunkClaimer::JumpCalculator::JumpCalculator	(	loops::Loops const &	rigid_,
		bool	bAllowAdjacentJumps
	)

Member Function Documentation

void protocols::topology_broker::RigidChunkClaimer::JumpCalculator::generate_rigidity_jumps	(	RigidChunkClaimer *	parent_claimer,
		claims::DofClaims &	extra_jumps,
		std::string	label
	)

get the missing jumps

generate a list of Jumps (core::Size tupels) that fix the remaining part of the chunk

References protocols::topology_broker::claims::DofClaim::EXCLUSIVE, protocols::topology_broker::TopologyClaimer::get_self_weak_ptr(), protocols::loops::start, and protocols::loops::stop.

bool protocols::topology_broker::RigidChunkClaimer::JumpCalculator::good_jump	(	core::Size	pos1,
		core::Size	pos2
	)

only called for relevant jumps: true if this jump helps us keeping things rigid, false if this jump connects rigid regions

check if this (relevant) jump is compatible with our rigid-structure not on the same continuous stretch of rigid residues ( we don't allow cuts within rigid stretches ) not connecting already conntected rigid stretches if it connects two unconnected rigid stretches —> its a good jump we'll keep it, *** –> update visited_ ***

References protocols::topology_broker::RigidChunkClaimer::bAllowAdjacentJumps_, and protocols::topology_broker::connects_rigid_regions().

bool protocols::topology_broker::RigidChunkClaimer::JumpCalculator::irrelevant_jump	(	core::Size	pos1,
		core::Size	pos2
	)

this jump doesn't help — it doens't touch two of the rigid regions

References protocols::topology_broker::RigidChunkClaimer::bAllowAdjacentJumps_, protocols::topology_broker::connects_rigid_regions(), protocols::topology_broker::is_not_neighbor_to_rigid(), and tr().

Member Data Documentation

bool protocols::topology_broker::RigidChunkClaimer::JumpCalculator::bAllowAdjacentJumps_

private

use loop-definition from alignment in ThreadingJob

core::Size protocols::topology_broker::RigidChunkClaimer::JumpCalculator::new_nr_

private

how many new jumps

loops::Loops protocols::topology_broker::RigidChunkClaimer::JumpCalculator::rigid_

private

what should be rigid

utility::vector1< core::Size > protocols::topology_broker::RigidChunkClaimer::JumpCalculator::visited_

private

which residues have already been connected via jumps

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

• src/protocols/topology_broker/RigidChunkClaimer.hh
• src/protocols/topology_broker/RigidChunkClaimer.cc