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Rosetta 3.5
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Claimer that works with the old system of BaseJumpSetup it supports only JumpFrames of type [ BBTorsion ] UpJump DownJump [ BBTorsion ] the class JumpSample is still used to transport the information jumps and jump_atoms, but cuts are ignored all functionality of JumpSample is not used anymore. More...
#include <JumpClaimer.hh>


Public Member Functions | |
| JumpClaimer () | |
| JumpClaimer (jumping::BaseJumpSetupOP jump_def, std::string const &mover_tag="JumpMove", weights::AbinitioMoverWeightOP weight=NULL) | |
| JumpClaimer (JumpClaimer const &src) | |
| ~JumpClaimer () | |
| virtual TopologyClaimerOP | clone () const |
| clone it! More... | |
| virtual void | generate_claims (DofClaims &) |
| generate first round of DOF claims More... | |
| virtual void | new_decoy (core::pose::Pose const &) |
| an input pose is given, i.e., a starting structure for resampling don't make random choices, base choices on given pose More... | |
| virtual void | new_decoy () |
| a new decoy — random choices to be made ? make them here More... | |
| virtual std::string | type () const |
| type() is specifying the output name of the TopologyClaimer More... | |
| virtual void | initialize_dofs (core::pose::Pose &, DofClaims const &init_claims, DofClaims &failed_to_init) |
| is called after all round1 claims have been approved or retracted – additional claims can be issued in this round More... | |
| virtual bool | read_tag (std::string tag, std::istream &is) |
Public Member Functions inherited from protocols::topology_broker::FragmentClaimer | |
| FragmentClaimer () | |
| FragmentClaimer (simple_moves::FragmentMoverOP, std::string mover_tag, weights::AbinitioMoverWeightOP weight) | |
| FragmentClaimer (simple_moves::FragmentMoverOP) | |
| FragmentClaimer (FragmentClaimer const &src) | |
| ~FragmentClaimer () | |
| virtual bool | accept_declined_claim (DofClaim const &was_declined) |
| notification of declined claims: update your internal representation (e.g., movemap ) to remember this ! / return false – if you can't live without this claim being accepted. ( e.g., RigidChunks ... ) More... | |
| void | set_mover (simple_moves::FragmentMoverOP mover) |
| void | set_mover_tag (std::string const &str) |
| void | set_bInitDofs (bool set) |
| std::string const & | mover_tag () const |
| virtual moves::MoverOP | get_mover (core::pose::Pose const &) const |
| what is your mover ... called by add_mover — overload this or add_mover if you have movers too supply More... | |
| void | get_sequence_region (std::set< core::Size > &start_region) const |
Public Member Functions inherited from protocols::topology_broker::TopologyClaimer | |
| virtual | ~TopologyClaimer () |
| Automatically generated virtual destructor for class deriving directly from ReferenceCount. More... | |
| TopologyClaimer () | |
| TopologyClaimer (weights::AbinitioMoverWeightOP weight) | |
| construct with weight-set ( how important is mover for different abinitio stages ? ) More... | |
| virtual void | read (std::istream &) |
| read definition of Claimer from setup file, i.e., a CLAIMER <type> ... END_CLAIMER block More... | |
| virtual void | generate_sequence_claims (DofClaims &) |
| generate claims that affect the sequence of the pose More... | |
| virtual void | finalize_claims (DofClaims &) |
| is called after all round1 claims have been approved or retracted – additional claims can be issued in this round More... | |
| virtual bool | allow_claim (DofClaim const &) |
| allow a claim from a foreign Claimer More... | |
| virtual void | initialize_residues (core::pose::Pose &, SequenceClaimOP init_claim, DofClaims &failed_to_init) |
| initialize sequence ( for approved sequence claims given as init_claim ) Claimer searches init_claims for claims owned by *this More... | |
| virtual void | switch_to_fullatom (core::pose::Pose &, utility::vector1< bool >) const |
| has this Claimer some side chain conformations to add? starts with bNeedToRepack true for all residues... if you have a sidechain —> copy it to pose and set needtoRepack false for this residue More... | |
| virtual void | manipulate_cut_bias (utility::vector1< core::Real > &) |
| multiply your bias to this – if its zero don't change that, i.e., multiply only this is used during fold-tree generation to set the cut-points. it starts with 1.0 for all residues. Fragments can add their loop-fraction More... | |
| virtual void | claim_accepted (DofClaimOP my_claim) |
| this claim of yours was accepted.... I so far haven't done anything with this... might go away. More... | |
| virtual void | add_constraints (core::pose::Pose &) const |
| add constraints to pose... might make this stage dependent as with movers... More... | |
| virtual core::fragment::FragSetCOP | loop_frags (core::kinematics::MoveMap &) const |
| return fragments that can be used for loop-sampling... unfortunately some loop-samplers need fragments, rather then fragmovers (e.g. short-loop closure since it remaps them on a short pose containing only the loop-residues. ) overloaded e.g., by LoopFragmentClaimer.. returns a movemap and fragset good for loop-sampling More... | |
| virtual bool | passes_filter (core::pose::Pose const &, abinitio::StageID, core::Real, std::ostringstream &) |
| claimers can add movers to the RandomMover (Container). add your moves, make it dependent on stage if you want to. So far this is called only by abinitio... if you don't want to do anything special — don't overload this method! default: adds mover given by virtual call get_mover() with stage-dependent weight given by abinitio_mover_weight_ More... | |
| virtual void | add_mover (moves::RandomMover &, core::pose::Pose const &, abinitio::StageID, core::scoring::ScoreFunction const &, core::Real) |
| claimers can add movers to the RandomMover (Container). add your moves, make it dependent on stage if you want to. So far this is called only by abinitio... if you don't want to do anything special — don't overload this method! default: adds mover given by virtual call get_mover() with stage-dependent weight given by abinitio_mover_weight_ More... | |
| void | set_mover_weight (weights::AbinitioMoverWeightOP wset) |
| weights::AbinitioMoverWeight & | mover_weight () |
| void | read_mover_weight (std::istream &is) |
| read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage More... | |
| virtual void | adjust_relax_movemap (core::kinematics::MoveMap &) const |
| void | set_broker (TopologyBrokerCAP ptr) |
| don't use this — it is called by TopologyBroker add_claim only More... | |
| TopologyBroker const & | broker () const |
| return the broker we are collaborating with More... | |
| std::string const & | label () const |
| void | set_label (std::string const &str) |
| virtual void | receive_message (ClaimerMessage &) |
Static Public Member Functions | |
| static std::string | _static_type_name () |
Static Public Member Functions inherited from protocols::topology_broker::FragmentClaimer | |
| static std::string | _static_type_name () |
Protected Member Functions | |
| void | set_jump_def (jumping::BaseJumpSetupOP jump_def) |
| jumping::BaseJumpSetupOP | jump_def () |
| void | set_keep_jumps_from_input_pose (bool setting) |
| void | init_jumps () |
Protected Member Functions inherited from protocols::topology_broker::FragmentClaimer | |
| simple_moves::FragmentMover const & | mover () const |
| simple_moves::FragmentMoverOP | get_frag_mover_ptr () |
| void | set_claim_right (DofClaim::ClaimRight setting) |
| virtual void | init_after_reading () |
Protected Member Functions inherited from protocols::topology_broker::TopologyClaimer | |
| virtual void | set_defaults () |
Private Types | |
| typedef FragmentClaimer | Parent |
Additional Inherited Members | |
Protected Attributes inherited from protocols::topology_broker::FragmentClaimer | |
| core::kinematics::MoveMapOP | movemap_ |
Claimer that works with the old system of BaseJumpSetup it supports only JumpFrames of type [ BBTorsion ] UpJump DownJump [ BBTorsion ] the class JumpSample is still used to transport the information jumps and jump_atoms, but cuts are ignored all functionality of JumpSample is not used anymore.
Definition at line 63 of file JumpClaimer.hh.
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private |
Definition at line 64 of file JumpClaimer.hh.
| protocols::topology_broker::JumpClaimer::JumpClaimer | ( | ) |
Definition at line 63 of file JumpClaimer.cc.
References protocols::topology_broker::FragmentClaimer::set_bInitDofs().
Referenced by clone().
| protocols::topology_broker::JumpClaimer::JumpClaimer | ( | jumping::BaseJumpSetupOP | jump_def, |
| std::string const & | mover_tag = "JumpMove", |
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| weights::AbinitioMoverWeightOP | weight = NULL |
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| ) |
Definition at line 71 of file JumpClaimer.cc.
References protocols::topology_broker::FragmentClaimer::set_bInitDofs().
| protocols::topology_broker::JumpClaimer::JumpClaimer | ( | JumpClaimer const & | src) |
Definition at line 80 of file JumpClaimer.cc.
References bKeepJumpsFromInputPose_, current_jumps_, init_mover_, and jump_def_.
| protocols::topology_broker::JumpClaimer::~JumpClaimer | ( | ) |
Definition at line 91 of file JumpClaimer.cc.
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inlinestatic |
Definition at line 85 of file JumpClaimer.hh.
Referenced by type().
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virtual |
clone it!
Reimplemented from protocols::topology_broker::FragmentClaimer.
Reimplemented in protocols::topology_broker::MetalloClaimer, and protocols::topology_broker::TemplateJumpClaimer.
Definition at line 93 of file JumpClaimer.cc.
References JumpClaimer().
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generate first round of DOF claims
Reimplemented from protocols::topology_broker::FragmentClaimer.
Reimplemented in protocols::topology_broker::MetalloClaimer.
Definition at line 194 of file JumpClaimer.cc.
References current_jumps_, discard_jumps_, protocols::jumping::JumpSample::generate_jump_frames(), protocols::topology_broker::DofClaim::INIT, init_jumps(), protocols::jumping::JumpSample::jump_atoms(), jump_def_, protocols::jumping::JumpSample::jumps(), protocols::topology_broker::FragmentClaimer::movemap_, protocols::topology_broker::FragmentClaimer::mover_tag(), core::kinematics::MoveMap::set_bb(), core::kinematics::MoveMap::set_jump(), protocols::topology_broker::FragmentClaimer::set_mover(), and protocols::jumping::JumpSample::size().
Referenced by protocols::topology_broker::MetalloClaimer::generate_claims().
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Definition at line 123 of file JumpClaimer.cc.
References bKeepJumpsFromInputPose_, core::pose::Pose::clear(), current_jumps_, protocols::jumping::JumpSample::cuts(), discard_jumps_, core::pose::Pose::fold_tree(), protocols::jumping::JumpSample::generate_jump_frames(), protocols::topology_broker::FragmentClaimer::get_sequence_region(), init_mover_, input_pose_, protocols::jumping::JumpSample::is_valid(), jump_def_, protocols::jumping::JumpSample::jumps(), protocols::topology_broker::FragmentClaimer::movemap_, protocols::topology_broker::FragmentClaimer::mover_tag(), core::kinematics::MoveMap::set_bb(), core::kinematics::MoveMap::set_jump(), protocols::jumping::JumpSample::size(), core::pose::Pose::total_residue(), tr(), and type().
Referenced by generate_claims().
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is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
Reimplemented from protocols::topology_broker::FragmentClaimer.
Reimplemented in protocols::topology_broker::MetalloClaimer.
Definition at line 110 of file JumpClaimer.cc.
References protocols::topology_broker::FragmentClaimer::get_frag_mover_ptr(), init_mover_, protocols::topology_broker::FragmentClaimer::initialize_dofs(), and protocols::topology_broker::FragmentClaimer::set_mover().
Referenced by protocols::topology_broker::MetalloClaimer::initialize_dofs().
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inlineprotected |
Definition at line 96 of file JumpClaimer.hh.
References jump_def_.
Referenced by protocols::topology_broker::TemplateJumpClaimer::init_after_reading(), protocols::topology_broker::TemplateJumpClaimer::read_tag(), and set_jump_def().
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an input pose is given, i.e., a starting structure for resampling don't make random choices, base choices on given pose
Reimplemented from protocols::topology_broker::TopologyClaimer.
Definition at line 105 of file JumpClaimer.cc.
References input_pose_, and new_decoy().
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a new decoy — random choices to be made ? make them here
Reimplemented from protocols::topology_broker::TopologyClaimer.
Definition at line 99 of file JumpClaimer.cc.
References core::pose::Pose::clear(), discard_jumps_, and input_pose_.
Referenced by protocols::topology_broker::MetalloClaimer::initialize_residues(), and new_decoy().
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Reimplemented from protocols::topology_broker::FragmentClaimer.
Reimplemented in protocols::topology_broker::MetalloClaimer, and protocols::topology_broker::TemplateJumpClaimer.
Definition at line 250 of file JumpClaimer.cc.
References bKeepJumpsFromInputPose_, and protocols::topology_broker::FragmentClaimer::read_tag().
Referenced by protocols::topology_broker::TemplateJumpClaimer::read_tag(), and protocols::topology_broker::MetalloClaimer::read_tag().
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inlineprotected |
Definition at line 92 of file JumpClaimer.hh.
References jump_def(), and jump_def_.
Referenced by protocols::topology_broker::TemplateJumpClaimer::init_after_reading(), protocols::topology_broker::MetalloClaimer::init_after_reading(), protocols::topology_broker::TemplateJumpClaimer::read_config_file(), and protocols::topology_broker::TemplateJumpClaimer::read_topol_file().
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Definition at line 100 of file JumpClaimer.hh.
References bKeepJumpsFromInputPose_.
Referenced by protocols::topology_broker::TemplateJumpClaimer::TemplateJumpClaimer().
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type() is specifying the output name of the TopologyClaimer
Reimplemented from protocols::topology_broker::FragmentClaimer.
Reimplemented in protocols::topology_broker::MetalloClaimer, and protocols::topology_broker::TemplateJumpClaimer.
Definition at line 79 of file JumpClaimer.hh.
References _static_type_name().
Referenced by init_jumps().
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Definition at line 110 of file JumpClaimer.hh.
Referenced by init_jumps(), JumpClaimer(), read_tag(), and set_keep_jumps_from_input_pose().
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Definition at line 108 of file JumpClaimer.hh.
Referenced by generate_claims(), init_jumps(), and JumpClaimer().
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Definition at line 112 of file JumpClaimer.hh.
Referenced by generate_claims(), init_jumps(), and new_decoy().
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Definition at line 109 of file JumpClaimer.hh.
Referenced by init_jumps(), initialize_dofs(), and JumpClaimer().
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Definition at line 111 of file JumpClaimer.hh.
Referenced by init_jumps(), and new_decoy().
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Definition at line 107 of file JumpClaimer.hh.
Referenced by generate_claims(), init_jumps(), jump_def(), JumpClaimer(), and set_jump_def().
1.8.4