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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:
Inheritance graph
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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::Sizevisited_
 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 
)

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


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