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Rosetta 3.5
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Rosetta 3.5
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helper class – computes if we have all jupms needed to rigidify the chosen chunk and generate more jumps if needed. More...
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 *, DofClaims &extra_jumps) |
| get the missing jumps More... | |
Private Attributes | |
| loops::Loops | rigid_ |
| what should be rigid More... | |
| utility::vector1< Size > | visited_ |
| which residues have already been connected via jumps More... | |
| Size | new_nr_ |
| how many new jumps More... | |
| bool | bUseThreadingJobLoops_ |
| use loop-definition from alignment in ThreadingJob More... | |
| bool | bAllowAdjacentJumps_ |
helper class – computes if we have all jupms needed to rigidify the chosen chunk and generate more jumps if needed.
Definition at line 169 of file RigidChunkClaimer.hh.
| protocols::topology_broker::RigidChunkClaimer::JumpCalculator::JumpCalculator | ( | loops::Loops const & | rigid_, |
| bool | bAllowAdjacentJumps | ||
| ) |
Definition at line 556 of file RigidChunkClaimer.cc.
| void protocols::topology_broker::RigidChunkClaimer::JumpCalculator::generate_rigidity_jumps | ( | RigidChunkClaimer * | THIS, |
| DofClaims & | extra_jumps | ||
| ) |
get the missing jumps
generate a list of Jumps (Size tupels) that fix the remaining part of the chunk
Definition at line 641 of file RigidChunkClaimer.cc.
References protocols::topology_broker::DofClaim::EXCLUSIVE, 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_ ***
Definition at line 598 of file RigidChunkClaimer.cc.
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
Definition at line 581 of file RigidChunkClaimer.cc.
References protocols::topology_broker::RigidChunkClaimer::bAllowAdjacentJumps_, protocols::topology_broker::connects_rigid_regions(), protocols::topology_broker::is_not_neighbor_to_rigid(), and tr().
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Definition at line 197 of file RigidChunkClaimer.hh.
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use loop-definition from alignment in ThreadingJob
Definition at line 196 of file RigidChunkClaimer.hh.
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how many new jumps
Definition at line 193 of file RigidChunkClaimer.hh.
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what should be rigid
Definition at line 187 of file RigidChunkClaimer.hh.
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which residues have already been connected via jumps
Definition at line 190 of file RigidChunkClaimer.hh.
1.8.4