topology_broker¶
Bindings for protocols::topology_broker namespace
- class pyrosetta.rosetta.protocols.topology_broker.AsymFoldandDockClaimer¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::AsymFoldandDockClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.AsymFoldandDockClaimer, random_mover: pyrosetta.rosetta.protocols.moves.RandomMover, pose: pyrosetta.rosetta.core.pose.Pose, stageID: pyrosetta.rosetta.protocols.abinitio.StageID, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, progress: float) None ¶
C++: protocols::topology_broker::AsymFoldandDockClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.AsymFoldandDockClaimer, : pyrosetta.rosetta.protocols.topology_broker.AsymFoldandDockClaimer) pyrosetta.rosetta.protocols.topology_broker.AsymFoldandDockClaimer ¶
C++: protocols::topology_broker::AsymFoldandDockClaimer::operator=(const class protocols::topology_broker::AsymFoldandDockClaimer &) –> class protocols::topology_broker::AsymFoldandDockClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.AsymFoldandDockClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::AsymFoldandDockClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- docking_jump(self: pyrosetta.rosetta.protocols.topology_broker.AsymFoldandDockClaimer, pose: pyrosetta.rosetta.core.pose.Pose, chain_break_res: int) int ¶
C++: protocols::topology_broker::AsymFoldandDockClaimer::docking_jump(class core::pose::Pose &, unsigned long) –> unsigned long
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.AsymFoldandDockClaimer, new_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::AsymFoldandDockClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.AsymFoldandDockClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::AsymFoldandDockClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.AsymFoldandDockClaimer, tag: str, is: pyrosetta.rosetta.std.istream) bool ¶
C++: protocols::topology_broker::AsymFoldandDockClaimer::read_tag(std::string, std::istream &) –> bool
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.AsymFoldandDockClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::AsymFoldandDockClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::BasicJumpClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer, : pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer) pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer ¶
C++: protocols::topology_broker::BasicJumpClaimer::operator=(const class protocols::topology_broker::BasicJumpClaimer &) –> class protocols::topology_broker::BasicJumpClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::BasicJumpClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- end_label(*args, **kwargs)¶
Overloaded function.
end_label(self: pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer) -> str
C++: protocols::topology_broker::BasicJumpClaimer::end_label() const –> const std::string &
end_label(self: pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer, endLabel: str) -> None
C++: protocols::topology_broker::BasicJumpClaimer::end_label(const std::string &) –> void
- end_position(*args, **kwargs)¶
Overloaded function.
end_position(self: pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer) -> int
C++: protocols::topology_broker::BasicJumpClaimer::end_position() const –> unsigned long
end_position(self: pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer, endPosition: int) -> None
C++: protocols::topology_broker::BasicJumpClaimer::end_position(unsigned long) –> void
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::BasicJumpClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::BasicJumpClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
C++: protocols::topology_broker::BasicJumpClaimer::shared_from_this() –> class std::shared_ptr<class protocols::topology_broker::BasicJumpClaimer>
- start_label(*args, **kwargs)¶
Overloaded function.
start_label(self: pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer) -> str
C++: protocols::topology_broker::BasicJumpClaimer::start_label() const –> const std::string &
start_label(self: pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer, startLabel: str) -> None
C++: protocols::topology_broker::BasicJumpClaimer::start_label(const std::string &) –> void
- start_position(*args, **kwargs)¶
Overloaded function.
start_position(self: pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer) -> int
C++: protocols::topology_broker::BasicJumpClaimer::start_position() const –> unsigned long
start_position(self: pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer, startPosition: int) -> None
C++: protocols::topology_broker::BasicJumpClaimer::start_position(unsigned long) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.BasicJumpClaimer) str ¶
C++: protocols::topology_broker::BasicJumpClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage, : pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage ¶
C++: protocols::topology_broker::ClaimerMessage::operator=(const class protocols::topology_broker::ClaimerMessage &) –> class protocols::topology_broker::ClaimerMessage &
- label(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) str ¶
C++: protocols::topology_broker::ClaimerMessage::label() const –> const std::string &
- matches(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage, label: str) bool ¶
C++: protocols::topology_broker::ClaimerMessage::matches(const std::string &) –> bool
- nr_recepients(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) int ¶
C++: protocols::topology_broker::ClaimerMessage::nr_recepients() const –> unsigned long
- received(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) bool ¶
C++: protocols::topology_broker::ClaimerMessage::received() const –> bool
- received_by_me(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage, me: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyClaimer_t) None ¶
C++: protocols::topology_broker::ClaimerMessage::received_by_me(class std::weak_ptr<const class protocols::topology_broker::TopologyClaimer>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage, str: str) None ¶
C++: protocols::topology_broker::ClaimerMessage::set_label(const std::string &) –> void
- show(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage, : pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::topology_broker::ClaimerMessage::show(std::ostream &) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) str ¶
name of Claimer
C++: protocols::topology_broker::ClaimerMessage::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::ConstraintClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::ConstraintClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer, : pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer) pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer ¶
C++: protocols::topology_broker::ConstraintClaimer::operator=(const class protocols::topology_broker::ConstraintClaimer &) –> class protocols::topology_broker::ConstraintClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::ConstraintClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- combine_ratio(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer) int ¶
C++: protocols::topology_broker::ConstraintClaimer::combine_ratio() const –> unsigned long
- drop_random_rate(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer) float ¶
C++: protocols::topology_broker::ConstraintClaimer::drop_random_rate() const –> double
- filter_name(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer) str ¶
C++: protocols::topology_broker::ConstraintClaimer::filter_name() const –> const std::string &
- filter_weight(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer) float ¶
C++: protocols::topology_broker::ConstraintClaimer::filter_weight() const –> double
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::ConstraintClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this
C++: protocols::topology_broker::TopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer) None ¶
C++: protocols::topology_broker::ConstraintClaimer::new_decoy() –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer, tag: str, : pyrosetta.rosetta.std.istream) bool ¶
C++: protocols::topology_broker::ConstraintClaimer::read_tag(std::string, std::istream &) –> bool
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_centroid(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer, setting: bool) None ¶
C++: protocols::topology_broker::ConstraintClaimer::set_centroid(bool) –> void
- set_combine_ratio(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer, setting: int) None ¶
C++: protocols::topology_broker::ConstraintClaimer::set_combine_ratio(unsigned long) –> void
- set_cst_file(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer, : str) None ¶
C++: protocols::topology_broker::ConstraintClaimer::set_cst_file(const std::string &) –> void
- set_filter_weight(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer, weight: float) None ¶
C++: protocols::topology_broker::ConstraintClaimer::set_filter_weight(double) –> void
- set_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer, setting: bool) None ¶
C++: protocols::topology_broker::ConstraintClaimer::set_fullatom(bool) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- set_skip_redundant(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer, setting: int) None ¶
C++: protocols::topology_broker::ConstraintClaimer::set_skip_redundant(unsigned long) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- tag(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer) str ¶
C++: protocols::topology_broker::ConstraintClaimer::tag() const –> const std::string &
- type(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::ConstraintClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapper¶
Bases:
PoseEvaluator
- applicable(self: pyrosetta.rosetta.protocols.evaluation.PoseEvaluator, : pyrosetta.rosetta.core.pose.Pose) bool ¶
C++: protocols::evaluation::PoseEvaluator::applicable(const class core::pose::Pose &) const –> bool
- apply(*args, **kwargs)¶
Overloaded function.
apply(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapper, pss: pyrosetta.rosetta.core.io.silent.SilentStruct) -> None
apply(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapper, pose: pyrosetta.rosetta.core.pose.Pose, tag: str, pss: pyrosetta.rosetta.core.io.silent.SilentStruct) -> None
C++: protocols::topology_broker::ConstraintEvaluatorWrapper::apply(class core::pose::Pose &, std::string, class core::io::silent::SilentStruct &) const –> void
apply(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapper, pose: pyrosetta.rosetta.core.pose.Pose) -> float
C++: protocols::topology_broker::ConstraintEvaluatorWrapper::apply(class core::pose::Pose &) const –> double
- assign(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapper, : pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapper) pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapper ¶
C++: protocols::topology_broker::ConstraintEvaluatorWrapper::operator=(const class protocols::topology_broker::ConstraintEvaluatorWrapper &) –> class protocols::topology_broker::ConstraintEvaluatorWrapper &
- name(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapper, i: int) str ¶
C++: protocols::topology_broker::ConstraintEvaluatorWrapper::name(unsigned long) const –> std::string
- size(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapper) int ¶
C++: protocols::topology_broker::ConstraintEvaluatorWrapper::size() const –> unsigned long
- class pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapperCreator¶
Bases:
EvaluatorCreator
creator for the ConstraintsEvaluatorWrapperCreator class
- add_evaluators(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapperCreator, eval: pyrosetta.rosetta.protocols.evaluation.MetaPoseEvaluator) None ¶
C++: protocols::topology_broker::ConstraintEvaluatorWrapperCreator::add_evaluators(class protocols::evaluation::MetaPoseEvaluator &) const –> void
- assign(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapperCreator, : pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapperCreator) pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapperCreator ¶
C++: protocols::topology_broker::ConstraintEvaluatorWrapperCreator::operator=(const class protocols::topology_broker::ConstraintEvaluatorWrapperCreator &) –> class protocols::topology_broker::ConstraintEvaluatorWrapperCreator &
- register_options(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapperCreator) None ¶
C++: protocols::topology_broker::ConstraintEvaluatorWrapperCreator::register_options() –> void
- type_name(self: pyrosetta.rosetta.protocols.topology_broker.ConstraintEvaluatorWrapperCreator) str ¶
C++: protocols::topology_broker::ConstraintEvaluatorWrapperCreator::type_name() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.CoordConstraintClaimer¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::CoordConstraintClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.CoordConstraintClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::CoordConstraintClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.CoordConstraintClaimer, : pyrosetta.rosetta.protocols.topology_broker.CoordConstraintClaimer) pyrosetta.rosetta.protocols.topology_broker.CoordConstraintClaimer ¶
C++: protocols::topology_broker::CoordConstraintClaimer::operator=(const class protocols::topology_broker::CoordConstraintClaimer &) –> class protocols::topology_broker::CoordConstraintClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.CoordConstraintClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::CoordConstraintClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.CoordConstraintClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::CoordConstraintClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this
C++: protocols::topology_broker::TopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.CoordConstraintClaimer) -> None
C++: protocols::topology_broker::CoordConstraintClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.CoordConstraintClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::topology_broker::CoordConstraintClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- superimpose(self: pyrosetta.rosetta.protocols.topology_broker.CoordConstraintClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
superimpose xyz coords in constraints_ with pose
C++: protocols::topology_broker::CoordConstraintClaimer::superimpose(const class core::pose::Pose &) const –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.CoordConstraintClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::CoordConstraintClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.CutBiasClaimer¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::CutBiasClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.CutBiasClaimer, : pyrosetta.rosetta.protocols.topology_broker.CutBiasClaimer) pyrosetta.rosetta.protocols.topology_broker.CutBiasClaimer ¶
C++: protocols::topology_broker::CutBiasClaimer::operator=(const class protocols::topology_broker::CutBiasClaimer &) –> class protocols::topology_broker::CutBiasClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.CutBiasClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::CutBiasClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.CutBiasClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::CutBiasClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this
C++: protocols::topology_broker::TopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.CutBiasClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
C++: protocols::topology_broker::CutBiasClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.CutBiasClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::CutBiasClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
C++: protocols::topology_broker::CutBiasClaimer::shared_from_this() –> class std::shared_ptr<class protocols::topology_broker::CutBiasClaimer>
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.CutBiasClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::CutBiasClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.DensityScoringClaimer¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::DensityScoringClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.DensityScoringClaimer, was_declined: protocols::topology_broker::claims::DofClaim) bool ¶
C++: protocols::topology_broker::DensityScoringClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.DensityScoringClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::DensityScoringClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.DensityScoringClaimer, : pyrosetta.rosetta.protocols.topology_broker.DensityScoringClaimer) pyrosetta.rosetta.protocols.topology_broker.DensityScoringClaimer ¶
C++: protocols::topology_broker::DensityScoringClaimer::operator=(const class protocols::topology_broker::DensityScoringClaimer &) –> class protocols::topology_broker::DensityScoringClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.DensityScoringClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::DensityScoringClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.DensityScoringClaimer, dc: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::DensityScoringClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.DensityScoringClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::DensityScoringClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this
C++: protocols::topology_broker::TopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
C++: protocols::topology_broker::DensityScoringClaimer::shared_from_this() –> class std::shared_ptr<class protocols::topology_broker::DensityScoringClaimer>
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.DensityScoringClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::DensityScoringClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.DisulfJumpClaimer¶
Bases:
FragmentClaimer
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
- static _static_type_name() str ¶
C++: protocols::topology_broker::DisulfJumpClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, was_declined: pyrosetta.rosetta.protocols.topology_broker.claims.DofClaim) bool ¶
C++: protocols::topology_broker::FragmentClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.DisulfJumpClaimer, : pyrosetta.rosetta.protocols.topology_broker.DisulfJumpClaimer) pyrosetta.rosetta.protocols.topology_broker.DisulfJumpClaimer ¶
C++: protocols::topology_broker::DisulfJumpClaimer::operator=(const class protocols::topology_broker::DisulfJumpClaimer &) –> class protocols::topology_broker::DisulfJumpClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.DisulfJumpClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::DisulfJumpClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.DisulfJumpClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::DisulfJumpClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_jump_frags(self: pyrosetta.rosetta.protocols.topology_broker.DisulfJumpClaimer, lib: pyrosetta.rosetta.protocols.jumping.DisulfPairingLibrary, all_frames: pyrosetta.rosetta.core.fragment.FrameList) None ¶
C++: protocols::topology_broker::DisulfJumpClaimer::generate_jump_frags(const class protocols::jumping::DisulfPairingLibrary &, class core::fragment::FrameList &) const –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::topology_broker::FragmentClaimer::get_mover(const class core::pose::Pose &) const –> class std::shared_ptr<class protocols::moves::Mover>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- get_sequence_region(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, start_region: pyrosetta.rosetta.std.set_unsigned_long_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::get_sequence_region(class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > &) const –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.DisulfJumpClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::DisulfJumpClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer) str ¶
C++: protocols::topology_broker::FragmentClaimer::mover_tag() const –> const std::string &
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.DisulfJumpClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::topology_broker::DisulfJumpClaimer::new_decoy(const class core::pose::Pose &) –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.DisulfJumpClaimer) -> None
C++: protocols::topology_broker::DisulfJumpClaimer::new_decoy() –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.DisulfJumpClaimer, tag: str, is: pyrosetta.rosetta.std.istream) bool ¶
C++: protocols::topology_broker::DisulfJumpClaimer::read_tag(std::string, std::istream &) –> bool
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_bInitDofs(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, set: bool) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_bInitDofs(bool) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, mover: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover(class std::shared_ptr<class protocols::simple_moves::FragmentMover>) –> void
- set_mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, str: str) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover_tag(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
C++: protocols::topology_broker::FragmentClaimer::shared_from_this() –> class std::shared_ptr<class protocols::topology_broker::FragmentClaimer>
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.DisulfJumpClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::DisulfJumpClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.EXCN_FailedBroking¶
Bases:
EXCN_TopologyBroker
- add_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) None ¶
C++: utility::excn::Exception::add_msg(const std::string &) –> void
- assign(self: pyrosetta.rosetta.protocols.topology_broker.EXCN_FailedBroking, : pyrosetta.rosetta.protocols.topology_broker.EXCN_FailedBroking) pyrosetta.rosetta.protocols.topology_broker.EXCN_FailedBroking ¶
C++: protocols::topology_broker::EXCN_FailedBroking::operator=(const class protocols::topology_broker::EXCN_FailedBroking &) –> class protocols::topology_broker::EXCN_FailedBroking &
- crash_log(self: pyrosetta.rosetta.utility.excn.Exception) None ¶
- Invoke a crash log for throwing this exception.
If your exception is one which is a “non-error” exception, override this function to do nothing.
C++: utility::excn::Exception::crash_log() const –> void
- display(self: pyrosetta.rosetta.utility.excn.Exception) None ¶
- Present this exception to the user.
Will invoke crash log reporting, if applicable
C++: utility::excn::Exception::display() const –> void
- file(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
C++: utility::excn::Exception::file() –> const std::string &
- line(self: pyrosetta.rosetta.utility.excn.Exception) int ¶
C++: utility::excn::Exception::line() –> int
- msg(*args, **kwargs)¶
Overloaded function.
msg(self: pyrosetta.rosetta.utility.excn.Exception) -> str
Will return a formatted message (with file/line information)
C++: utility::excn::Exception::msg() const –> std::string
msg(self: pyrosetta.rosetta.utility.excn.Exception, m: str) -> None
Will set the raw message.
C++: utility::excn::Exception::msg(const std::string &) –> void
- prepend_to_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) None ¶
C++: utility::excn::Exception::prepend_to_msg(const std::string &) –> void
- raw_msg(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
Will return the raw message (without file/line information)
C++: utility::excn::Exception::raw_msg() const –> std::string
- show(self: pyrosetta.rosetta.utility.excn.Exception, : pyrosetta.rosetta.std.ostream) None ¶
C++: utility::excn::Exception::show(std::ostream &) const –> void
- traceback(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
C++: utility::excn::Exception::traceback() –> const std::string &
- what(self: pyrosetta.rosetta.std.exception) str ¶
C++: std::exception::what() const –> const char *
- class pyrosetta.rosetta.protocols.topology_broker.EXCN_FilterFailed¶
Bases:
EXCN_TopologyBroker
- add_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) None ¶
C++: utility::excn::Exception::add_msg(const std::string &) –> void
- assign(self: pyrosetta.rosetta.protocols.topology_broker.EXCN_FilterFailed, : pyrosetta.rosetta.protocols.topology_broker.EXCN_FilterFailed) pyrosetta.rosetta.protocols.topology_broker.EXCN_FilterFailed ¶
C++: protocols::topology_broker::EXCN_FilterFailed::operator=(const class protocols::topology_broker::EXCN_FilterFailed &) –> class protocols::topology_broker::EXCN_FilterFailed &
- crash_log(self: pyrosetta.rosetta.utility.excn.Exception) None ¶
- Invoke a crash log for throwing this exception.
If your exception is one which is a “non-error” exception, override this function to do nothing.
C++: utility::excn::Exception::crash_log() const –> void
- display(self: pyrosetta.rosetta.utility.excn.Exception) None ¶
- Present this exception to the user.
Will invoke crash log reporting, if applicable
C++: utility::excn::Exception::display() const –> void
- file(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
C++: utility::excn::Exception::file() –> const std::string &
- line(self: pyrosetta.rosetta.utility.excn.Exception) int ¶
C++: utility::excn::Exception::line() –> int
- msg(*args, **kwargs)¶
Overloaded function.
msg(self: pyrosetta.rosetta.utility.excn.Exception) -> str
Will return a formatted message (with file/line information)
C++: utility::excn::Exception::msg() const –> std::string
msg(self: pyrosetta.rosetta.utility.excn.Exception, m: str) -> None
Will set the raw message.
C++: utility::excn::Exception::msg(const std::string &) –> void
- prepend_to_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) None ¶
C++: utility::excn::Exception::prepend_to_msg(const std::string &) –> void
- raw_msg(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
Will return the raw message (without file/line information)
C++: utility::excn::Exception::raw_msg() const –> std::string
- show(self: pyrosetta.rosetta.utility.excn.Exception, : pyrosetta.rosetta.std.ostream) None ¶
C++: utility::excn::Exception::show(std::ostream &) const –> void
- traceback(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
C++: utility::excn::Exception::traceback() –> const std::string &
- what(self: pyrosetta.rosetta.std.exception) str ¶
C++: std::exception::what() const –> const char *
- class pyrosetta.rosetta.protocols.topology_broker.EXCN_Input¶
Bases:
BadInput
- add_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) None ¶
C++: utility::excn::Exception::add_msg(const std::string &) –> void
- assign(self: pyrosetta.rosetta.protocols.topology_broker.EXCN_Input, : pyrosetta.rosetta.protocols.topology_broker.EXCN_Input) pyrosetta.rosetta.protocols.topology_broker.EXCN_Input ¶
C++: protocols::topology_broker::EXCN_Input::operator=(const class protocols::topology_broker::EXCN_Input &) –> class protocols::topology_broker::EXCN_Input &
- crash_log(self: pyrosetta.rosetta.utility.excn.Exception) None ¶
- Invoke a crash log for throwing this exception.
If your exception is one which is a “non-error” exception, override this function to do nothing.
C++: utility::excn::Exception::crash_log() const –> void
- display(self: pyrosetta.rosetta.utility.excn.Exception) None ¶
- Present this exception to the user.
Will invoke crash log reporting, if applicable
C++: utility::excn::Exception::display() const –> void
- file(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
C++: utility::excn::Exception::file() –> const std::string &
- line(self: pyrosetta.rosetta.utility.excn.Exception) int ¶
C++: utility::excn::Exception::line() –> int
- msg(*args, **kwargs)¶
Overloaded function.
msg(self: pyrosetta.rosetta.utility.excn.Exception) -> str
Will return a formatted message (with file/line information)
C++: utility::excn::Exception::msg() const –> std::string
msg(self: pyrosetta.rosetta.utility.excn.Exception, m: str) -> None
Will set the raw message.
C++: utility::excn::Exception::msg(const std::string &) –> void
- prepend_to_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) None ¶
C++: utility::excn::Exception::prepend_to_msg(const std::string &) –> void
- raw_msg(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
Will return the raw message (without file/line information)
C++: utility::excn::Exception::raw_msg() const –> std::string
- show(self: pyrosetta.rosetta.utility.excn.Exception, : pyrosetta.rosetta.std.ostream) None ¶
C++: utility::excn::Exception::show(std::ostream &) const –> void
- traceback(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
C++: utility::excn::Exception::traceback() –> const std::string &
- what(self: pyrosetta.rosetta.std.exception) str ¶
C++: std::exception::what() const –> const char *
- class pyrosetta.rosetta.protocols.topology_broker.EXCN_TopologyBroker¶
Bases:
Exception
- add_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) None ¶
C++: utility::excn::Exception::add_msg(const std::string &) –> void
- assign(self: pyrosetta.rosetta.protocols.topology_broker.EXCN_TopologyBroker, : pyrosetta.rosetta.protocols.topology_broker.EXCN_TopologyBroker) pyrosetta.rosetta.protocols.topology_broker.EXCN_TopologyBroker ¶
C++: protocols::topology_broker::EXCN_TopologyBroker::operator=(const class protocols::topology_broker::EXCN_TopologyBroker &) –> class protocols::topology_broker::EXCN_TopologyBroker &
- crash_log(self: pyrosetta.rosetta.utility.excn.Exception) None ¶
- Invoke a crash log for throwing this exception.
If your exception is one which is a “non-error” exception, override this function to do nothing.
C++: utility::excn::Exception::crash_log() const –> void
- display(self: pyrosetta.rosetta.utility.excn.Exception) None ¶
- Present this exception to the user.
Will invoke crash log reporting, if applicable
C++: utility::excn::Exception::display() const –> void
- file(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
C++: utility::excn::Exception::file() –> const std::string &
- line(self: pyrosetta.rosetta.utility.excn.Exception) int ¶
C++: utility::excn::Exception::line() –> int
- msg(*args, **kwargs)¶
Overloaded function.
msg(self: pyrosetta.rosetta.utility.excn.Exception) -> str
Will return a formatted message (with file/line information)
C++: utility::excn::Exception::msg() const –> std::string
msg(self: pyrosetta.rosetta.utility.excn.Exception, m: str) -> None
Will set the raw message.
C++: utility::excn::Exception::msg(const std::string &) –> void
- prepend_to_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) None ¶
C++: utility::excn::Exception::prepend_to_msg(const std::string &) –> void
- raw_msg(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
Will return the raw message (without file/line information)
C++: utility::excn::Exception::raw_msg() const –> std::string
- show(self: pyrosetta.rosetta.utility.excn.Exception, : pyrosetta.rosetta.std.ostream) None ¶
C++: utility::excn::Exception::show(std::ostream &) const –> void
- traceback(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
C++: utility::excn::Exception::traceback() –> const std::string &
- what(self: pyrosetta.rosetta.std.exception) str ¶
C++: std::exception::what() const –> const char *
- class pyrosetta.rosetta.protocols.topology_broker.EXCN_Unknown¶
Bases:
EXCN_TopologyBroker
- add_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) None ¶
C++: utility::excn::Exception::add_msg(const std::string &) –> void
- assign(self: pyrosetta.rosetta.protocols.topology_broker.EXCN_Unknown, : pyrosetta.rosetta.protocols.topology_broker.EXCN_Unknown) pyrosetta.rosetta.protocols.topology_broker.EXCN_Unknown ¶
C++: protocols::topology_broker::EXCN_Unknown::operator=(const class protocols::topology_broker::EXCN_Unknown &) –> class protocols::topology_broker::EXCN_Unknown &
- crash_log(self: pyrosetta.rosetta.utility.excn.Exception) None ¶
- Invoke a crash log for throwing this exception.
If your exception is one which is a “non-error” exception, override this function to do nothing.
C++: utility::excn::Exception::crash_log() const –> void
- display(self: pyrosetta.rosetta.utility.excn.Exception) None ¶
- Present this exception to the user.
Will invoke crash log reporting, if applicable
C++: utility::excn::Exception::display() const –> void
- file(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
C++: utility::excn::Exception::file() –> const std::string &
- line(self: pyrosetta.rosetta.utility.excn.Exception) int ¶
C++: utility::excn::Exception::line() –> int
- msg(*args, **kwargs)¶
Overloaded function.
msg(self: pyrosetta.rosetta.utility.excn.Exception) -> str
Will return a formatted message (with file/line information)
C++: utility::excn::Exception::msg() const –> std::string
msg(self: pyrosetta.rosetta.utility.excn.Exception, m: str) -> None
Will set the raw message.
C++: utility::excn::Exception::msg(const std::string &) –> void
- prepend_to_msg(self: pyrosetta.rosetta.utility.excn.Exception, str: str) None ¶
C++: utility::excn::Exception::prepend_to_msg(const std::string &) –> void
- raw_msg(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
Will return the raw message (without file/line information)
C++: utility::excn::Exception::raw_msg() const –> std::string
- show(self: pyrosetta.rosetta.utility.excn.Exception, : pyrosetta.rosetta.std.ostream) None ¶
C++: utility::excn::Exception::show(std::ostream &) const –> void
- traceback(self: pyrosetta.rosetta.utility.excn.Exception) str ¶
C++: utility::excn::Exception::traceback() –> const std::string &
- what(self: pyrosetta.rosetta.std.exception) str ¶
C++: std::exception::what() const –> const char *
- class pyrosetta.rosetta.protocols.topology_broker.FibrilModelingClaimer¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::FibrilModelingClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.FibrilModelingClaimer, random_mover: pyrosetta.rosetta.protocols.moves.RandomMover, pose: pyrosetta.rosetta.core.pose.Pose, stageID: pyrosetta.rosetta.protocols.abinitio.StageID, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, progress: float) None ¶
C++: protocols::topology_broker::FibrilModelingClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.FibrilModelingClaimer, : pyrosetta.rosetta.protocols.topology_broker.claims.DofClaim) bool ¶
has to decline foreign BB claims for slave regions
C++: protocols::topology_broker::FibrilModelingClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.FibrilModelingClaimer, : pyrosetta.rosetta.protocols.topology_broker.FibrilModelingClaimer) pyrosetta.rosetta.protocols.topology_broker.FibrilModelingClaimer ¶
C++: protocols::topology_broker::FibrilModelingClaimer::operator=(const class protocols::topology_broker::FibrilModelingClaimer &) –> class protocols::topology_broker::FibrilModelingClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.FibrilModelingClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::FibrilModelingClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.FibrilModelingClaimer, new_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FibrilModelingClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.FibrilModelingClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FibrilModelingClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- make_fibril(self: pyrosetta.rosetta.protocols.topology_broker.FibrilModelingClaimer, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::FibrilModelingClaimer::make_fibril(class core::pose::Pose &) –> void
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.FibrilModelingClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::FibrilModelingClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.FoldandDockClaimer¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::FoldandDockClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.FoldandDockClaimer, random_mover: pyrosetta.rosetta.protocols.moves.RandomMover, pose: pyrosetta.rosetta.core.pose.Pose, stageID: pyrosetta.rosetta.protocols.abinitio.StageID, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, progress: float) None ¶
C++: protocols::topology_broker::FoldandDockClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.FoldandDockClaimer, : pyrosetta.rosetta.protocols.topology_broker.FoldandDockClaimer) pyrosetta.rosetta.protocols.topology_broker.FoldandDockClaimer ¶
C++: protocols::topology_broker::FoldandDockClaimer::operator=(const class protocols::topology_broker::FoldandDockClaimer &) –> class protocols::topology_broker::FoldandDockClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.FoldandDockClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::FoldandDockClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.FoldandDockClaimer, new_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FoldandDockClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.FoldandDockClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FoldandDockClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.FoldandDockClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::FoldandDockClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::FragmentClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, was_declined: pyrosetta.rosetta.protocols.topology_broker.claims.DofClaim) bool ¶
C++: protocols::topology_broker::FragmentClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, : pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer) pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer ¶
C++: protocols::topology_broker::FragmentClaimer::operator=(const class protocols::topology_broker::FragmentClaimer &) –> class protocols::topology_broker::FragmentClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::FragmentClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::topology_broker::FragmentClaimer::get_mover(const class core::pose::Pose &) const –> class std::shared_ptr<class protocols::moves::Mover>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- get_sequence_region(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, start_region: pyrosetta.rosetta.std.set_unsigned_long_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::get_sequence_region(class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > &) const –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer) str ¶
C++: protocols::topology_broker::FragmentClaimer::mover_tag() const –> const std::string &
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_bInitDofs(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, set: bool) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_bInitDofs(bool) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, mover: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover(class std::shared_ptr<class protocols::simple_moves::FragmentMover>) –> void
- set_mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, str: str) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover_tag(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
C++: protocols::topology_broker::FragmentClaimer::shared_from_this() –> class std::shared_ptr<class protocols::topology_broker::FragmentClaimer>
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::FragmentClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer¶
Bases:
FragmentClaimer
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
- static _static_type_name() str ¶
C++: protocols::topology_broker::FragmentJumpClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, was_declined: pyrosetta.rosetta.protocols.topology_broker.claims.DofClaim) bool ¶
C++: protocols::topology_broker::FragmentClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer, : pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer) pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer ¶
C++: protocols::topology_broker::FragmentJumpClaimer::operator=(const class protocols::topology_broker::FragmentJumpClaimer &) –> class protocols::topology_broker::FragmentJumpClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::FragmentJumpClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FragmentJumpClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::topology_broker::FragmentClaimer::get_mover(const class core::pose::Pose &) const –> class std::shared_ptr<class protocols::moves::Mover>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- get_sequence_region(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, start_region: pyrosetta.rosetta.std.set_unsigned_long_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::get_sequence_region(class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > &) const –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FragmentJumpClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer) str ¶
C++: protocols::topology_broker::FragmentClaimer::mover_tag() const –> const std::string &
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::topology_broker::FragmentJumpClaimer::new_decoy(const class core::pose::Pose &) –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer) -> None
C++: protocols::topology_broker::FragmentJumpClaimer::new_decoy() –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer, tag: str, is: pyrosetta.rosetta.std.istream) bool ¶
C++: protocols::topology_broker::FragmentJumpClaimer::read_tag(std::string, std::istream &) –> bool
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_bInitDofs(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, set: bool) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_bInitDofs(bool) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, mover: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover(class std::shared_ptr<class protocols::simple_moves::FragmentMover>) –> void
- set_mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, str: str) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover_tag(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
C++: protocols::topology_broker::FragmentClaimer::shared_from_this() –> class std::shared_ptr<class protocols::topology_broker::FragmentClaimer>
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::FragmentJumpClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.LoopFragmentClaimer¶
Bases:
FragmentClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::LoopFragmentClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, was_declined: pyrosetta.rosetta.protocols.topology_broker.claims.DofClaim) bool ¶
C++: protocols::topology_broker::FragmentClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.LoopFragmentClaimer, : pyrosetta.rosetta.protocols.topology_broker.LoopFragmentClaimer) pyrosetta.rosetta.protocols.topology_broker.LoopFragmentClaimer ¶
C++: protocols::topology_broker::LoopFragmentClaimer::operator=(const class protocols::topology_broker::LoopFragmentClaimer &) –> class protocols::topology_broker::LoopFragmentClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::FragmentClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_mover(self: pyrosetta.rosetta.protocols.topology_broker.LoopFragmentClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::topology_broker::LoopFragmentClaimer::get_mover(const class core::pose::Pose &) const –> class std::shared_ptr<class protocols::moves::Mover>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- get_sequence_region(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, start_region: pyrosetta.rosetta.std.set_unsigned_long_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::get_sequence_region(class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > &) const –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.LoopFragmentClaimer, movemap: pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
C++: protocols::topology_broker::LoopFragmentClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer) str ¶
C++: protocols::topology_broker::FragmentClaimer::mover_tag() const –> const std::string &
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_bInitDofs(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, set: bool) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_bInitDofs(bool) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, mover: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover(class std::shared_ptr<class protocols::simple_moves::FragmentMover>) –> void
- set_mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, str: str) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover_tag(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
C++: protocols::topology_broker::FragmentClaimer::shared_from_this() –> class std::shared_ptr<class protocols::topology_broker::FragmentClaimer>
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.LoopFragmentClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::LoopFragmentClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::MembraneTopologyClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- addVirtualResAsRootMembrane(self: pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::MembraneTopologyClaimer::addVirtualResAsRootMembrane(class core::pose::Pose &) –> void
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer, random_mover: pyrosetta.rosetta.protocols.moves.RandomMover, pose: pyrosetta.rosetta.core.pose.Pose, stageID: pyrosetta.rosetta.protocols.abinitio.StageID, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, progress: float) None ¶
C++: protocols::topology_broker::MembraneTopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer, : pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer ¶
C++: protocols::topology_broker::MembraneTopologyClaimer::operator=(const class protocols::topology_broker::MembraneTopologyClaimer &) –> class protocols::topology_broker::MembraneTopologyClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer, pose: pyrosetta.rosetta.core.pose.Pose, fold_tree_in: pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::MembraneTopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer) bool ¶
C++: protocols::topology_broker::MembraneTopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::MembraneTopologyClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer, dof_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::MembraneTopologyClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
C++: protocols::topology_broker::MembraneTopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::MembraneTopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::MembraneTopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::MembraneTopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.MembraneTopologyClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::MembraneTopologyClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.MetalloClaimer¶
Bases:
SequenceClaimer
,FragmentJumpClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::MetalloClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, was_declined: pyrosetta.rosetta.protocols.topology_broker.claims.DofClaim) bool ¶
C++: protocols::topology_broker::FragmentClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.MetalloClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::MetalloClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.MetalloClaimer, : pyrosetta.rosetta.protocols.topology_broker.MetalloClaimer) pyrosetta.rosetta.protocols.topology_broker.MetalloClaimer ¶
C++: protocols::topology_broker::MetalloClaimer::operator=(const class protocols::topology_broker::MetalloClaimer &) –> class protocols::topology_broker::MetalloClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.MetalloClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::MetalloClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.MetalloClaimer, dc: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::MetalloClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.MetalloClaimer, dc: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::MetalloClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::topology_broker::FragmentClaimer::get_mover(const class core::pose::Pose &) const –> class std::shared_ptr<class protocols::moves::Mover>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- get_sequence_region(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, start_region: pyrosetta.rosetta.std.set_unsigned_long_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::get_sequence_region(class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > &) const –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.MetalloClaimer, pose: pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::MetalloClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer) str ¶
C++: protocols::topology_broker::FragmentClaimer::mover_tag() const –> const std::string &
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::topology_broker::FragmentJumpClaimer::new_decoy(const class core::pose::Pose &) –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer) -> None
C++: protocols::topology_broker::FragmentJumpClaimer::new_decoy() –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer, tag: str, is: pyrosetta.rosetta.std.istream) bool ¶
C++: protocols::topology_broker::FragmentJumpClaimer::read_tag(std::string, std::istream &) –> bool
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_bInitDofs(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, set: bool) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_bInitDofs(bool) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, mover: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover(class std::shared_ptr<class protocols::simple_moves::FragmentMover>) –> void
- set_mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, str: str) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover_tag(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
C++: protocols::topology_broker::MetalloClaimer::shared_from_this() –> class std::shared_ptr<class protocols::topology_broker::MetalloClaimer>
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.MetalloClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::MetalloClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.PcsEnergyController¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
return the type name
C++: protocols::topology_broker::PcsEnergyController::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.PcsEnergyController, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
This is called each time the stageID is changed
C++: protocols::topology_broker::PcsEnergyController::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.PcsEnergyController, : pyrosetta.rosetta.protocols.topology_broker.PcsEnergyController) pyrosetta.rosetta.protocols.topology_broker.PcsEnergyController ¶
C++: protocols::topology_broker::PcsEnergyController::operator=(const class protocols::topology_broker::PcsEnergyController &) –> class protocols::topology_broker::PcsEnergyController &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.PcsEnergyController) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::PcsEnergyController::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate first round of DOF claims
C++: protocols::topology_broker::TopologyClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- init_after_reading(self: pyrosetta.rosetta.protocols.topology_broker.PcsEnergyController) None ¶
Called Each time END CLAIMER is processed
C++: protocols::topology_broker::PcsEnergyController::init_after_reading() –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this
C++: protocols::topology_broker::TopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.PcsEnergyController, tag: str, : pyrosetta.rosetta.std.istream) bool ¶
This is called to process each tag
C++: protocols::topology_broker::PcsEnergyController::read_tag(std::string, std::istream &) –> bool
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_defaults(self: pyrosetta.rosetta.protocols.topology_broker.PcsEnergyController) None ¶
Called any time the CLAIMER is being read (before any tag is read)
C++: protocols::topology_broker::PcsEnergyController::set_defaults() –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.PcsEnergyController) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::PcsEnergyController::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController, : pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController) pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController::operator=(const class protocols::topology_broker::PseudocontactShiftEnergyController &) –> class protocols::topology_broker::PseudocontactShiftEnergyController &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate first round of DOF claims
C++: protocols::topology_broker::TopologyClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- init_after_reading(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController::init_after_reading() –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this
C++: protocols::topology_broker::TopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController, tag: str, : pyrosetta.rosetta.std.istream) bool ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController::read_tag(std::string, std::istream &) –> bool
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::PseudocontactShiftEnergyController::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts1¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts1::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts1, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts1::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts1, : pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts1) pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts1 ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts1::operator=(const class protocols::topology_broker::PseudocontactShiftEnergyController_Ts1 &) –> class protocols::topology_broker::PseudocontactShiftEnergyController_Ts1 &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts1) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts1::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate first round of DOF claims
C++: protocols::topology_broker::TopologyClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- init_after_reading(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts1) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts1::init_after_reading() –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this
C++: protocols::topology_broker::TopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts1, tag: str, : pyrosetta.rosetta.std.istream) bool ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts1::read_tag(std::string, std::istream &) –> bool
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_defaults(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts1) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts1::set_defaults() –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts1) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts1::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts2¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts2::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts2, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts2::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts2, : pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts2) pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts2 ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts2::operator=(const class protocols::topology_broker::PseudocontactShiftEnergyController_Ts2 &) –> class protocols::topology_broker::PseudocontactShiftEnergyController_Ts2 &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts2) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts2::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate first round of DOF claims
C++: protocols::topology_broker::TopologyClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- init_after_reading(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts2) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts2::init_after_reading() –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this
C++: protocols::topology_broker::TopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts2, tag: str, : pyrosetta.rosetta.std.istream) bool ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts2::read_tag(std::string, std::istream &) –> bool
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_defaults(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts2) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts2::set_defaults() –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts2) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts2::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts3¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts3::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts3, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts3::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts3, : pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts3) pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts3 ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts3::operator=(const class protocols::topology_broker::PseudocontactShiftEnergyController_Ts3 &) –> class protocols::topology_broker::PseudocontactShiftEnergyController_Ts3 &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts3) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts3::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate first round of DOF claims
C++: protocols::topology_broker::TopologyClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- init_after_reading(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts3) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts3::init_after_reading() –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this
C++: protocols::topology_broker::TopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts3, tag: str, : pyrosetta.rosetta.std.istream) bool ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts3::read_tag(std::string, std::istream &) –> bool
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_defaults(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts3) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts3::set_defaults() –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts3) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts3::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts4¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts4::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts4, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts4::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts4, : pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts4) pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts4 ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts4::operator=(const class protocols::topology_broker::PseudocontactShiftEnergyController_Ts4 &) –> class protocols::topology_broker::PseudocontactShiftEnergyController_Ts4 &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts4) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts4::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate first round of DOF claims
C++: protocols::topology_broker::TopologyClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- init_after_reading(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts4) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts4::init_after_reading() –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this
C++: protocols::topology_broker::TopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts4, tag: str, : pyrosetta.rosetta.std.istream) bool ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts4::read_tag(std::string, std::istream &) –> bool
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_defaults(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts4) None ¶
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts4::set_defaults() –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.PseudocontactShiftEnergyController_Ts4) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::PseudocontactShiftEnergyController_Ts4::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.RigidBodyRandomTMHMover¶
Bases:
RigidBodyMover
- apply(self: pyrosetta.rosetta.protocols.topology_broker.RigidBodyRandomTMHMover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::RigidBodyRandomTMHMover::apply(class core::pose::Pose &) –> void
- assign(self: pyrosetta.rosetta.protocols.topology_broker.RigidBodyRandomTMHMover, : pyrosetta.rosetta.protocols.topology_broker.RigidBodyRandomTMHMover) pyrosetta.rosetta.protocols.topology_broker.RigidBodyRandomTMHMover ¶
C++: protocols::topology_broker::RigidBodyRandomTMHMover::operator=(const class protocols::topology_broker::RigidBodyRandomTMHMover &) –> class protocols::topology_broker::RigidBodyRandomTMHMover &
- clear_info(self: pyrosetta.rosetta.protocols.moves.Mover) None ¶
Strings container can be used to return miscellaneous info (as std::string) from a mover, such as notes about the results of apply(). The job distributor (Apr 09 vintage) will check this function to see if your protocol wants to add string info to the Job that ran this mover. One way this can be useful is that later, a JobOutputter may include/append this info to an output file.
clear_info is called by jd2 before calling apply
C++: protocols::moves::Mover::clear_info() –> void
- clone(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
Return a clone of the Mover object.
C++: protocols::moves::Mover::clone() const –> class std::shared_ptr<class protocols::moves::Mover>
- create(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::moves::Mover::create() –> class std::shared_ptr<class protocols::moves::Mover>
- finalize_simulation(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) None ¶
Callback executed after all Monte Carlo trials are completed.
C++: protocols::canonical_sampling::ThermodynamicMover::finalize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
- freeze(self: pyrosetta.rosetta.protocols.rigid.RigidBodyMover) None ¶
C++: protocols::rigid::RigidBodyMover::freeze() –> void
- fresh_instance(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
Generates a new Mover object freshly created with the default ctor.
C++: protocols::moves::Mover::fresh_instance() const –> class std::shared_ptr<class protocols::moves::Mover>
- get_additional_output(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
fpd
Mechanism by which a mover may return multiple output poses from a single input pose.
Supported in JD2. Will attempt to grab additional poses until a nullptr is returned.
C++: protocols::moves::Mover::get_additional_output() –> class std::shared_ptr<class core::pose::Pose>
- get_current_job(self: pyrosetta.rosetta.protocols.moves.Mover) protocols::jobdist::BasicJob ¶
C++: protocols::moves::Mover::get_current_job() const –> class std::shared_ptr<const class protocols::jobdist::BasicJob>
- get_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover) str ¶
- A tag is a unique identifier used to identify structures produced
by this Mover. get_current_tag() returns the tag, and set_current_tag( std::string tag ) sets the tag. This functionality is not intended for use with the 2008 job distributor.
C++: protocols::moves::Mover::get_current_tag() const –> std::string
- get_input_pose(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::moves::Mover::get_input_pose() const –> class std::shared_ptr<const class core::pose::Pose>
- get_last_move_status(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.MoverStatus ¶
returns status after an apply(). The job distributor (august 08 vintage) will check this function to see if your protocol wants to filter its results - if your protocol wants to say “that run was no good, skip it” then use the protected last_move_status(MoverStatus) to change the value that this function will return.
C++: protocols::moves::Mover::get_last_move_status() const –> enum protocols::moves::MoverStatus
- get_name(self: pyrosetta.rosetta.protocols.topology_broker.RigidBodyRandomTMHMover) str ¶
C++: protocols::topology_broker::RigidBodyRandomTMHMover::get_name() const –> std::string
- get_native_pose(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::moves::Mover::get_native_pose() const –> class std::shared_ptr<const class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::moves::Mover::get_self_ptr() –> class std::shared_ptr<class protocols::moves::Mover>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.std.weak_ptr_protocols_moves_Mover_t ¶
C++: protocols::moves::Mover::get_self_weak_ptr() –> class std::weak_ptr<class protocols::moves::Mover>
- get_type(self: pyrosetta.rosetta.protocols.moves.Mover) str ¶
C++: protocols::moves::Mover::get_type() const –> std::string
- info(self: pyrosetta.rosetta.protocols.moves.Mover) pyrosetta.rosetta.std.list_std_string_t ¶
non-const accessor
C++: protocols::moves::Mover::info() –> class std::list<std::string, class std::allocator<std::string > > &
- initialize_simulation(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, pose: pyrosetta.rosetta.core.pose.Pose, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover, cycle: int) None ¶
Callback executed before any Monte Carlo trials are attempted.
C++: protocols::canonical_sampling::ThermodynamicMover::initialize_simulation(class core::pose::Pose &, const class protocols::canonical_sampling::MetropolisHastingsMover &, unsigned long) –> void
- is_multi_trial(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) bool ¶
Return true if the move performs multiple trials on each apply.
last_inner_score_delta_over_temperature()
metropolis_hastings_mover()
set_metropolis_hastings_mover()
C++: protocols::canonical_sampling::ThermodynamicMover::is_multi_trial() –> bool
- last_inner_score_delta_over_temperature(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) float ¶
- If this is a multi-trial move, return the change in internal
score/temperature caused by the last call to apply().
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::last_inner_score_delta_over_temperature() –> double
- last_proposal_density_ratio(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) float ¶
Return the proposal density ratio for last apply method.
C++: protocols::canonical_sampling::ThermodynamicMover::last_proposal_density_ratio() –> double
- metropolis_hastings_mover(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover) pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t ¶
- If this is a multi-trial move, return the MetropolisHastingsMover
being used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::metropolis_hastings_mover() –> class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>
- static name() str ¶
C++: protocols::moves::Mover::name() –> std::string
- observe_after_metropolis(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: protocols::canonical_sampling::MetropolisHastingsMover) None ¶
Callback executed after the Metropolis criterion is evaluated.
C++: protocols::canonical_sampling::ThermodynamicMover::observe_after_metropolis(const class protocols::canonical_sampling::MetropolisHastingsMover &) –> void
- parse_my_tag(self: pyrosetta.rosetta.protocols.moves.Mover, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
Called by MoverFactory when constructing new Movers. Takes care of the specific mover’s parsing.
C++: protocols::moves::Mover::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- preserve_detailed_balance(self: pyrosetta.rosetta.protocols.rigid.RigidBodyMover) bool ¶
C++: protocols::rigid::RigidBodyMover::preserve_detailed_balance() const –> bool
- provide_citation_info(self: pyrosetta.rosetta.protocols.moves.Mover, : pyrosetta.rosetta.basic.citation_manager.CitationCollectionList) None ¶
- Provide citations to the passed CitationCollectionList
Subclasses should add the info for themselves and any other classes they use.
The default implementation of this function does nothing. It may be overriden by movers wishing to provide citation information.
C++: protocols::moves::Mover::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void
- rb_jump(*args, **kwargs)¶
Overloaded function.
rb_jump(self: pyrosetta.rosetta.protocols.rigid.RigidBodyMover) -> int
C++: protocols::rigid::RigidBodyMover::rb_jump() const –> int
rb_jump(self: pyrosetta.rosetta.protocols.rigid.RigidBodyMover, jump_id: int) -> None
C++: protocols::rigid::RigidBodyMover::rb_jump(int) –> void
- static register_options() None ¶
Overload this static method if you access options within the mover.
These options will end up in -help of your application if users of this mover call register_options. Do this recursively! If you use movers within your mover, call their register_options in your register_options() method.
C++: protocols::moves::Mover::register_options() –> void
- reinitialize_for_each_job(self: pyrosetta.rosetta.protocols.moves.Mover) bool ¶
- Inform the Job Distributor (August ‘08 vintage) whether this object needs to be freshly regenerated on
each use.
C++: protocols::moves::Mover::reinitialize_for_each_job() const –> bool
- reinitialize_for_new_input(self: pyrosetta.rosetta.protocols.moves.Mover) bool ¶
- Inform the Job Distributor (August ‘08 vintage) whether this object needs to be regenerated when the input
pose is about to change, (for example, if the Mover has special code on the first apply() that is only valid for that one input pose).
C++: protocols::moves::Mover::reinitialize_for_new_input() const –> bool
- reset_status(self: pyrosetta.rosetta.protocols.moves.Mover) None ¶
resets status to SUCCESS, meant to be used before an apply(). The job distributor (august 08 vintage) uses this to ensure non-accumulation of status across apply()s.
C++: protocols::moves::Mover::reset_status() –> void
- rot_center(self: pyrosetta.rosetta.protocols.rigid.RigidBodyMover, rot_center_in: pyrosetta.rosetta.numeric.xyzVector_double_t) None ¶
Manual override of rotation center.
C++: protocols::rigid::RigidBodyMover::rot_center(const class numeric::xyzVector<double> &) –> void
- set_current_job(self: pyrosetta.rosetta.protocols.moves.Mover, job: protocols::jobdist::BasicJob) None ¶
C++: protocols::moves::Mover::set_current_job(class std::shared_ptr<const class protocols::jobdist::BasicJob>) –> void
- set_current_tag(self: pyrosetta.rosetta.protocols.moves.Mover, new_tag: str) None ¶
C++: protocols::moves::Mover::set_current_tag(const std::string &) –> void
- set_input_pose(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
setter for poses contained for rms
C++: protocols::moves::Mover::set_input_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
- set_metropolis_hastings_mover(self: pyrosetta.rosetta.protocols.canonical_sampling.ThermodynamicMover, metropolis_hastings_mover: pyrosetta.rosetta.std.weak_ptr_protocols_canonical_sampling_MetropolisHastingsMover_t) None ¶
- If this is a multi-trial move, set the MetropolisHastingsMover to
be used internally.
is_multi_trial()
C++: protocols::canonical_sampling::ThermodynamicMover::set_metropolis_hastings_mover(class std::weak_ptr<class protocols::canonical_sampling::MetropolisHastingsMover>) –> void
- set_native_pose(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
setter for native poses contained for rms —- we should get rid of this method? it is widely used, but a bit unsafe
C++: protocols::moves::Mover::set_native_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
- set_preserve_detailed_balance(self: pyrosetta.rosetta.protocols.rigid.RigidBodyMover, : bool) None ¶
set whether detailed balance is preserved (i.e. no branch angle optimization during moves)
C++: protocols::rigid::RigidBodyMover::set_preserve_detailed_balance(bool) –> void
- set_type(self: pyrosetta.rosetta.protocols.moves.Mover, setting: str) None ¶
Set the ‘type’ string
C++: protocols::moves::Mover::set_type(const std::string &) –> void
- show(*args, **kwargs)¶
Overloaded function.
show(self: pyrosetta.rosetta.protocols.rigid.RigidBodyMover) -> None
show(self: pyrosetta.rosetta.protocols.rigid.RigidBodyMover, output: pyrosetta.rosetta.std.ostream) -> None
C++: protocols::rigid::RigidBodyMover::show(std::ostream &) const –> void
- test_move(self: pyrosetta.rosetta.protocols.moves.Mover, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
- : Unit test support function. Apply one move to a given pose.
Allows extra test specific functions to be called before applying
C++: protocols::moves::Mover::test_move(class core::pose::Pose &) –> void
- torsion_id_ranges(self: pyrosetta.rosetta.protocols.rigid.RigidBodyMover, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.utility.vector1_core_id_TorsionID_Range ¶
get the TorsionIDs perturbed by the mover during moves, along with their ranges
C++: protocols::rigid::RigidBodyMover::torsion_id_ranges(class core::pose::Pose &) –> class utility::vector1<class core::id::TorsionID_Range, class std::allocator<class core::id::TorsionID_Range> >
- type(*args, **kwargs)¶
Overloaded function.
type(self: pyrosetta.rosetta.protocols.moves.Mover, type_in: str) -> None
Set the ‘type’ string
C++: protocols::moves::Mover::type(const std::string &) –> void
type(self: pyrosetta.rosetta.protocols.moves.Mover) -> str
Get the set ‘type’ string
C++: protocols::moves::Mover::type() const –> const std::string &
- unfreeze(self: pyrosetta.rosetta.protocols.rigid.RigidBodyMover) None ¶
C++: protocols::rigid::RigidBodyMover::unfreeze() –> void
- class pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer¶
Bases:
TopologyClaimer
defines a rigid part of structure… imagine a loop-relax application core structure is fixed via jumps and loops can move
the rigid chunk takes a definition of rigid regions in form of an instance of Loops (just taken as bunch of start-end residue numbers — here defining the rigid residues and not the loops). the rigid chunk to keep its integrity will need jumps, the claimer will reuse jumps if somebody else claims them, or submit in finalize_claims his own jumps, if not enough jumps are present. in “bExclusive_ mode” the RigidChunk will reclaim any jump claim that is useful and wihin the rigid region. (i.e., foreign claim is dissallowed but own claim with same residues is issued — in this way the claimer uses e.g., beta-sheet jumps, where they are suggested the input pose is used to initialize the rigid region ( via copying of internal coordinates )
e.g., a hole in the structure shouldn’t pose a problem, since we basically copy the atom-tree.
- class CM_SuggestFixResidue¶
Bases:
ClaimerMessage
- assign(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer.CM_SuggestFixResidue, : pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer.CM_SuggestFixResidue) pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer.CM_SuggestFixResidue ¶
C++: protocols::topology_broker::RigidChunkClaimer::CM_SuggestFixResidue::operator=(const class protocols::topology_broker::RigidChunkClaimer::CM_SuggestFixResidue &) –> class protocols::topology_broker::RigidChunkClaimer::CM_SuggestFixResidue &
- property good_fix_pos_¶
- label(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) str ¶
C++: protocols::topology_broker::ClaimerMessage::label() const –> const std::string &
- matches(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage, label: str) bool ¶
C++: protocols::topology_broker::ClaimerMessage::matches(const std::string &) –> bool
- nr_recepients(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) int ¶
C++: protocols::topology_broker::ClaimerMessage::nr_recepients() const –> unsigned long
- received(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) bool ¶
C++: protocols::topology_broker::ClaimerMessage::received() const –> bool
- received_by_me(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage, me: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyClaimer_t) None ¶
C++: protocols::topology_broker::ClaimerMessage::received_by_me(class std::weak_ptr<const class protocols::topology_broker::TopologyClaimer>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage, str: str) None ¶
C++: protocols::topology_broker::ClaimerMessage::set_label(const std::string &) –> void
- show(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage, : pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::topology_broker::ClaimerMessage::show(std::ostream &) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) str ¶
name of Claimer
C++: protocols::topology_broker::ClaimerMessage::type() const –> std::string
- static _static_type_name() str ¶
C++: protocols::topology_broker::RigidChunkClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer, was_declined: pyrosetta.rosetta.protocols.topology_broker.claims.DofClaim) bool ¶
will fail if a BB torsion claim of the rigid region has been declined
C++: protocols::topology_broker::RigidChunkClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
disallow torsion moves in relax if bRigidInRelax
C++: protocols::topology_broker::RigidChunkClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer, : pyrosetta.rosetta.protocols.topology_broker.claims.DofClaim) bool ¶
has to decline foreign BB claims for rigid regions, reclaim jumps where appropriate
C++: protocols::topology_broker::RigidChunkClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer, : pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer) pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer ¶
C++: protocols::topology_broker::RigidChunkClaimer::operator=(const class protocols::topology_broker::RigidChunkClaimer &) –> class protocols::topology_broker::RigidChunkClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::RigidChunkClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
issue jump-claims for jumps yet missing to keep rigid regions fixed
C++: protocols::topology_broker::RigidChunkClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate DofClaims for BB
C++: protocols::topology_broker::RigidChunkClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize BB residues and rigid-internal jumps from starting structure — copying atom-tree dofs
C++: protocols::topology_broker::RigidChunkClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer, cut_bias: pyrosetta.rosetta.utility.vector1_double) None ¶
multiply your bias to this – if its zero don’t change that, i.e., multiply only
C++: protocols::topology_broker::RigidChunkClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer) -> None
C++: protocols::topology_broker::RigidChunkClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::topology_broker::RigidChunkClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer, cm: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) None ¶
C++: protocols::topology_broker::RigidChunkClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer, : pyrosetta.rosetta.core.pose.Pose, bNeedToRepack: pyrosetta.rosetta.utility.vector1_bool) None ¶
rigid-chunk can probably provide some side-chain info from full-length model
C++: protocols::topology_broker::RigidChunkClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::RigidChunkClaimer::type() const –> std::string
- use_loops_from_threading_job(*args, **kwargs)¶
Overloaded function.
use_loops_from_threading_job(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer) -> bool
Returns true if we are using loop definitions from ThreadingJob
C++: protocols::topology_broker::RigidChunkClaimer::use_loops_from_threading_job() const –> bool
use_loops_from_threading_job(self: pyrosetta.rosetta.protocols.topology_broker.RigidChunkClaimer, setting: bool) -> None
Sets whether we should use loop definitions from ThreadingJob
C++: protocols::topology_broker::RigidChunkClaimer::use_loops_from_threading_job(bool) –> void
- class pyrosetta.rosetta.protocols.topology_broker.SequenceClaimer¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::SequenceClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.SequenceClaimer, : pyrosetta.rosetta.protocols.topology_broker.SequenceClaimer) pyrosetta.rosetta.protocols.topology_broker.SequenceClaimer ¶
C++: protocols::topology_broker::SequenceClaimer::operator=(const class protocols::topology_broker::SequenceClaimer &) –> class protocols::topology_broker::SequenceClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.SequenceClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::SequenceClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.SequenceClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round if this Sequence has been moved from position 1 — needs to issue a fixed CUT in the fold-tree
C++: protocols::topology_broker::SequenceClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.SequenceClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::SequenceClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this
C++: protocols::topology_broker::TopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
C++: protocols::topology_broker::SequenceClaimer::shared_from_this() –> class std::shared_ptr<class protocols::topology_broker::SequenceClaimer>
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.SequenceClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::SequenceClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.SequenceNumberResolver¶
Bases:
pybind11_object
- assign(self: pyrosetta.rosetta.protocols.topology_broker.SequenceNumberResolver, : pyrosetta.rosetta.protocols.topology_broker.SequenceNumberResolver) pyrosetta.rosetta.protocols.topology_broker.SequenceNumberResolver ¶
C++: protocols::topology_broker::SequenceNumberResolver::operator=(const class protocols::topology_broker::SequenceNumberResolver &) –> class protocols::topology_broker::SequenceNumberResolver &
- find_global_pose_number(*args, **kwargs)¶
Overloaded function.
find_global_pose_number(self: pyrosetta.rosetta.protocols.topology_broker.SequenceNumberResolver, label: str, resid: int) -> int
Returns global position of element at position resid in sequence claim with the specified label.
C++: protocols::topology_broker::SequenceNumberResolver::find_global_pose_number(const std::string &, unsigned long) const –> unsigned long
find_global_pose_number(self: pyrosetta.rosetta.protocols.topology_broker.SequenceNumberResolver, pos_pair: Tuple[str, int]) -> int
C++: protocols::topology_broker::SequenceNumberResolver::find_global_pose_number(struct std::pair<std::string, unsigned long>) const –> unsigned long
find_global_pose_number(self: pyrosetta.rosetta.protocols.topology_broker.SequenceNumberResolver, label: str) -> int
Returns global position of first element of sequence claim with the specified label.
C++: protocols::topology_broker::SequenceNumberResolver::find_global_pose_number(const std::string &) const –> unsigned long
- find_label(self: pyrosetta.rosetta.protocols.topology_broker.SequenceNumberResolver, pose_number: int) str ¶
Returns label of sequence claim that corresponds to the global sequence position <pose_number>
C++: protocols::topology_broker::SequenceNumberResolver::find_label(unsigned long) const –> std::string
- find_local_pose_number(self: pyrosetta.rosetta.protocols.topology_broker.SequenceNumberResolver, pose_number: int) int ¶
Returns position of global <pose_number> in corresponding sequence claim.
C++: protocols::topology_broker::SequenceNumberResolver::find_local_pose_number(unsigned long) const –> unsigned long
- offset(self: pyrosetta.rosetta.protocols.topology_broker.SequenceNumberResolver, label: str) int ¶
Returns offset of a given label.
C++: protocols::topology_broker::SequenceNumberResolver::offset(const std::string &) const –> unsigned long
- register_label_offset(self: pyrosetta.rosetta.protocols.topology_broker.SequenceNumberResolver, label: str, offset: int) None ¶
EXCN_BadInput if label or offset is already taken
C++: protocols::topology_broker::SequenceNumberResolver::register_label_offset(const std::string &, unsigned long) –> void
- terminal_pair(self: pyrosetta.rosetta.protocols.topology_broker.SequenceNumberResolver) Tuple[int, str] ¶
returns the map element with the largest offset = SequenceClaim at the end of the sequence
C++: protocols::topology_broker::SequenceNumberResolver::terminal_pair() const –> struct std::pair<unsigned long, std::string >
- class pyrosetta.rosetta.protocols.topology_broker.StartStructClaimer¶
Bases:
FragmentClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::StartStructClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, was_declined: pyrosetta.rosetta.protocols.topology_broker.claims.DofClaim) bool ¶
C++: protocols::topology_broker::FragmentClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.StartStructClaimer, : pyrosetta.rosetta.protocols.topology_broker.StartStructClaimer) pyrosetta.rosetta.protocols.topology_broker.StartStructClaimer ¶
C++: protocols::topology_broker::StartStructClaimer::operator=(const class protocols::topology_broker::StartStructClaimer &) –> class protocols::topology_broker::StartStructClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.StartStructClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::StartStructClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.StartStructClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::StartStructClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_mover(self: pyrosetta.rosetta.protocols.topology_broker.StartStructClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::topology_broker::StartStructClaimer::get_mover(const class core::pose::Pose &) const –> class std::shared_ptr<class protocols::moves::Mover>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- get_sequence_region(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, start_region: pyrosetta.rosetta.std.set_unsigned_long_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::get_sequence_region(class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > &) const –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.StartStructClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
overloaded to allow perturbation of start structure
C++: protocols::topology_broker::StartStructClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer) str ¶
C++: protocols::topology_broker::FragmentClaimer::mover_tag() const –> const std::string &
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.StartStructClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::topology_broker::StartStructClaimer::new_decoy(const class core::pose::Pose &) –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.StartStructClaimer) -> None
C++: protocols::topology_broker::StartStructClaimer::new_decoy() –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.StartStructClaimer, tag: str, : pyrosetta.rosetta.std.istream) bool ¶
C++: protocols::topology_broker::StartStructClaimer::read_tag(std::string, std::istream &) –> bool
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_bInitDofs(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, set: bool) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_bInitDofs(bool) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, mover: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover(class std::shared_ptr<class protocols::simple_moves::FragmentMover>) –> void
- set_mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, str: str) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover_tag(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
C++: protocols::topology_broker::StartStructClaimer::shared_from_this() –> class std::shared_ptr<class protocols::topology_broker::StartStructClaimer>
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.StartStructClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::StartStructClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.SuggestValueMessage¶
Bases:
ClaimerMessage
- assign(self: pyrosetta.rosetta.protocols.topology_broker.SuggestValueMessage, : pyrosetta.rosetta.protocols.topology_broker.SuggestValueMessage) pyrosetta.rosetta.protocols.topology_broker.SuggestValueMessage ¶
C++: protocols::topology_broker::SuggestValueMessage::operator=(const class protocols::topology_broker::SuggestValueMessage &) –> class protocols::topology_broker::SuggestValueMessage &
- label(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) str ¶
C++: protocols::topology_broker::ClaimerMessage::label() const –> const std::string &
- matches(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage, label: str) bool ¶
C++: protocols::topology_broker::ClaimerMessage::matches(const std::string &) –> bool
- nr_recepients(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) int ¶
C++: protocols::topology_broker::ClaimerMessage::nr_recepients() const –> unsigned long
- received(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) bool ¶
C++: protocols::topology_broker::ClaimerMessage::received() const –> bool
- received_by_me(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage, me: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyClaimer_t) None ¶
C++: protocols::topology_broker::ClaimerMessage::received_by_me(class std::weak_ptr<const class protocols::topology_broker::TopologyClaimer>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage, str: str) None ¶
C++: protocols::topology_broker::ClaimerMessage::set_label(const std::string &) –> void
- show(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage, : pyrosetta.rosetta.std.ostream) None ¶
C++: protocols::topology_broker::ClaimerMessage::show(std::ostream &) const –> void
- property some_claim_¶
- type(self: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) str ¶
name of Claimer
C++: protocols::topology_broker::ClaimerMessage::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.SymmetryClaimer¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::SymmetryClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.SymmetryClaimer, : pyrosetta.rosetta.protocols.topology_broker.SymmetryClaimer) pyrosetta.rosetta.protocols.topology_broker.SymmetryClaimer ¶
C++: protocols::topology_broker::SymmetryClaimer::operator=(const class protocols::topology_broker::SymmetryClaimer &) –> class protocols::topology_broker::SymmetryClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.SymmetryClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::SymmetryClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate first round of DOF claims
C++: protocols::topology_broker::TopologyClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this
C++: protocols::topology_broker::TopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
C++: protocols::topology_broker::SymmetryClaimer::shared_from_this() –> class std::shared_ptr<class protocols::topology_broker::SymmetryClaimer>
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- symmetry_duplicate(self: pyrosetta.rosetta.protocols.topology_broker.SymmetryClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::SymmetryClaimer::symmetry_duplicate(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class core::pose::Pose &) –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.SymmetryClaimer) str ¶
C++: protocols::topology_broker::SymmetryClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer¶
Bases:
TopologyClaimer
- static _static_type_name() str ¶
C++: protocols::topology_broker::TMHTopologySamplerClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TMHTopologySamplerClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer, : pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer) pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer ¶
C++: protocols::topology_broker::TMHTopologySamplerClaimer::operator=(const class protocols::topology_broker::TMHTopologySamplerClaimer &) –> class protocols::topology_broker::TMHTopologySamplerClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer, pose: pyrosetta.rosetta.core.pose.Pose, fold_tree: pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
this claimer builds its own radial fold tree based on read-in spanfile
C++: protocols::topology_broker::TMHTopologySamplerClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer) bool ¶
the broker checks if the claimer builds its own fold tree to figure out if needs to build one itself
C++: protocols::topology_broker::TMHTopologySamplerClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
TMHTopologySamplerClaimer has virtual functions… use this to obtain a new instance
C++: protocols::topology_broker::TMHTopologySamplerClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer, dof_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate DofClaims
C++: protocols::topology_broker::TMHTopologySamplerClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
C++: protocols::topology_broker::TMHTopologySamplerClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TMHTopologySamplerClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer, pose: pyrosetta.rosetta.core.pose.Pose, init_dofs: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
make move_map and add the DoF claims from generate_claims() to the movemap. Now we can move certain parts with certain DOFs.
C++: protocols::topology_broker::TMHTopologySamplerClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
read in the pose’s spans via the MembraneTopology store din the pose, determine jumps, TMHs, loops, etc.
C++: protocols::topology_broker::TMHTopologySamplerClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer, tag: str, is: pyrosetta.rosetta.std.istream) bool ¶
read tag from topology broker file (setup.tpb)
C++: protocols::topology_broker::TMHTopologySamplerClaimer::read_tag(std::string, std::istream &) –> bool
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- static register_options() None ¶
register cmd-line options in option system ( call before core::init )
C++: protocols::topology_broker::TMHTopologySamplerClaimer::register_options() –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
get the pose from the boker and set it as this object’s pose
C++: protocols::topology_broker::TMHTopologySamplerClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.TMHTopologySamplerClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::TMHTopologySamplerClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.TemplateFragmentClaimer¶
Bases:
FragmentClaimer
hacky wrapper to keep the old Template code alive a bit longer this claimer deals with the Jumpy part of the Templates.
- static _static_type_name() str ¶
C++: protocols::topology_broker::TemplateFragmentClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, was_declined: pyrosetta.rosetta.protocols.topology_broker.claims.DofClaim) bool ¶
C++: protocols::topology_broker::FragmentClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.TemplateFragmentClaimer, : pyrosetta.rosetta.protocols.topology_broker.TemplateFragmentClaimer) pyrosetta.rosetta.protocols.topology_broker.TemplateFragmentClaimer ¶
C++: protocols::topology_broker::TemplateFragmentClaimer::operator=(const class protocols::topology_broker::TemplateFragmentClaimer &) –> class protocols::topology_broker::TemplateFragmentClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.TemplateFragmentClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TemplateFragmentClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::topology_broker::FragmentClaimer::get_mover(const class core::pose::Pose &) const –> class std::shared_ptr<class protocols::moves::Mover>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- get_sequence_region(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, start_region: pyrosetta.rosetta.std.set_unsigned_long_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::get_sequence_region(class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > &) const –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer) str ¶
C++: protocols::topology_broker::FragmentClaimer::mover_tag() const –> const std::string &
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_config_file(self: pyrosetta.rosetta.protocols.topology_broker.TemplateFragmentClaimer, file: str) None ¶
C++: protocols::topology_broker::TemplateFragmentClaimer::read_config_file(const std::string &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_bInitDofs(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, set: bool) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_bInitDofs(bool) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, mover: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover(class std::shared_ptr<class protocols::simple_moves::FragmentMover>) –> void
- set_mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, str: str) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover_tag(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
C++: protocols::topology_broker::FragmentClaimer::shared_from_this() –> class std::shared_ptr<class protocols::topology_broker::FragmentClaimer>
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.TemplateFragmentClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::TemplateFragmentClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.TemplateJumpClaimer¶
Bases:
FragmentJumpClaimer
hacky wrapper to keep the old Template code alive a bit longer this claimer deals with the Jumpy part of the Templates.
- static _static_type_name() str ¶
C++: protocols::topology_broker::TemplateJumpClaimer::_static_type_name() –> std::string
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, was_declined: pyrosetta.rosetta.protocols.topology_broker.claims.DofClaim) bool ¶
C++: protocols::topology_broker::FragmentClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.TemplateJumpClaimer, : pyrosetta.rosetta.protocols.topology_broker.TemplateJumpClaimer) pyrosetta.rosetta.protocols.topology_broker.TemplateJumpClaimer ¶
C++: protocols::topology_broker::TemplateJumpClaimer::operator=(const class protocols::topology_broker::TemplateJumpClaimer &) –> class protocols::topology_broker::TemplateJumpClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.TemplateJumpClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TemplateJumpClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FragmentJumpClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.protocols.moves.Mover ¶
C++: protocols::topology_broker::FragmentClaimer::get_mover(const class core::pose::Pose &) const –> class std::shared_ptr<class protocols::moves::Mover>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- get_sequence_region(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, start_region: pyrosetta.rosetta.std.set_unsigned_long_t) None ¶
C++: protocols::topology_broker::FragmentClaimer::get_sequence_region(class std::set<unsigned long, struct std::less<unsigned long>, class std::allocator<unsigned long> > &) const –> void
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
C++: protocols::topology_broker::FragmentJumpClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer) str ¶
C++: protocols::topology_broker::FragmentClaimer::mover_tag() const –> const std::string &
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
C++: protocols::topology_broker::FragmentJumpClaimer::new_decoy(const class core::pose::Pose &) –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer) -> None
C++: protocols::topology_broker::FragmentJumpClaimer::new_decoy() –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_config_file(self: pyrosetta.rosetta.protocols.topology_broker.TemplateJumpClaimer, file: str) None ¶
C++: protocols::topology_broker::TemplateJumpClaimer::read_config_file(const std::string &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- read_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentJumpClaimer, tag: str, is: pyrosetta.rosetta.std.istream) bool ¶
C++: protocols::topology_broker::FragmentJumpClaimer::read_tag(std::string, std::istream &) –> bool
- read_topol_file(self: pyrosetta.rosetta.protocols.topology_broker.TemplateJumpClaimer, file: str) None ¶
C++: protocols::topology_broker::TemplateJumpClaimer::read_topol_file(const std::string &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_bInitDofs(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, set: bool) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_bInitDofs(bool) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, mover: pyrosetta.rosetta.protocols.simple_moves.FragmentMover) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover(class std::shared_ptr<class protocols::simple_moves::FragmentMover>) –> void
- set_mover_tag(self: pyrosetta.rosetta.protocols.topology_broker.FragmentClaimer, str: str) None ¶
C++: protocols::topology_broker::FragmentClaimer::set_mover_tag(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
C++: protocols::topology_broker::FragmentClaimer::shared_from_this() –> class std::shared_ptr<class protocols::topology_broker::FragmentClaimer>
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.TemplateJumpClaimer) str ¶
type() is specifying the output name of the TopologyClaimer
C++: protocols::topology_broker::TemplateJumpClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.TopologyBroker¶
Bases:
pybind11_object
- add(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, cl: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) None ¶
—————- Application Setup ————————————
add new Claimers to the broker —- useful before a job is started
C++: protocols::topology_broker::TopologyBroker::add(class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>) –> void
- add_chainbreak_variants(*args, **kwargs)¶
Overloaded function.
add_chainbreak_variants(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, pose: pyrosetta.rosetta.core.pose.Pose) -> None
add_chainbreak_variants(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, pose: pyrosetta.rosetta.core.pose.Pose, max_dist: int) -> None
add_chainbreak_variants(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, pose: pyrosetta.rosetta.core.pose.Pose, max_dist: int, sp: pyrosetta.rosetta.core.kinematics.ShortestPathInFoldTree) -> None
add chainbreak variant residue to the unphysical chainbreaks
C++: protocols::topology_broker::TopologyBroker::add_chainbreak_variants(class core::pose::Pose &, unsigned long, class std::shared_ptr<const class core::kinematics::ShortestPathInFoldTree>) const –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
if some claimer wants to influence the movemap for relax he can do it here:
C++: protocols::topology_broker::TopologyBroker::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- apply(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, : pyrosetta.rosetta.core.pose.Pose) None ¶
———————– Job Setup ——————————————
at the start of a job this is called, e.g., by the AbrelaxMover it generates a pose with appropriate foldtree and initializes dofs, adds constraints, etc.
C++: protocols::topology_broker::TopologyBroker::apply(class core::pose::Pose &) –> void
- apply_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, progress: float) None ¶
apply filter (TopologyClaimer::passes_filter() ) and raise exception EXCN_FILTER_FAILED if failed
C++: protocols::topology_broker::TopologyBroker::apply_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double) const –> void
- assign(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, : pyrosetta.rosetta.protocols.topology_broker.TopologyBroker) pyrosetta.rosetta.protocols.topology_broker.TopologyBroker ¶
C++: protocols::topology_broker::TopologyBroker::operator=(const class protocols::topology_broker::TopologyBroker &) –> class protocols::topology_broker::TopologyBroker &
- check_chainbreak_variants(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, pose: pyrosetta.rosetta.core.pose.Pose) bool ¶
check that each chainbreak residue has a chainbreak variant
C++: protocols::topology_broker::TopologyBroker::check_chainbreak_variants(class core::pose::Pose &) const –> bool
- claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, i: int) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
Returns the ith topology claimer if it exists.
C++: protocols::topology_broker::TopologyBroker::claimer(unsigned long) const –> const class std::shared_ptr<class protocols::topology_broker::TopologyClaimer> &
- current_pose(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyBroker::current_pose() const –> const class core::pose::Pose &
- does_final_fold_tree_exist(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker) bool ¶
C++: protocols::topology_broker::TopologyBroker::does_final_fold_tree_exist() const –> bool
- final_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker) pyrosetta.rosetta.core.kinematics.FoldTree ¶
access for hacky claimers
C++: protocols::topology_broker::TopologyBroker::final_fold_tree() const –> class core::kinematics::FoldTree &
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker) pyrosetta.rosetta.protocols.topology_broker.TopologyBroker ¶
C++: protocols::topology_broker::TopologyBroker::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyBroker>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyBroker_t ¶
C++: protocols::topology_broker::TopologyBroker::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyBroker>
- has_chainbreaks_to_close(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker) bool ¶
do we need to close loops ( unphysical chainbreaks have been introduced? )
C++: protocols::topology_broker::TopologyBroker::has_chainbreaks_to_close() const –> bool
- has_sequence_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker) bool ¶
/ ——————————- End Consulting ——————————————–
C++: protocols::topology_broker::TopologyBroker::has_sequence_claimer() –> bool
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- the SlidingWindowLoopClosure needs pure fragments, because it changes the the residue number in the ShortLoopClosure part
thus extra hook for this — > only some Claimers will answer
C++: protocols::topology_broker::TopologyBroker::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction, progress: float) pyrosetta.rosetta.protocols.moves.Mover ¶
return a set of Movers ( RandomMover, i.e. container of movers )
C++: protocols::topology_broker::TopologyBroker::mover(const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) const –> class std::shared_ptr<class protocols::moves::Mover>
- num_claimers(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker) int ¶
Returns the number of claimers associated with the broker
C++: protocols::topology_broker::TopologyBroker::num_claimers() const –> unsigned long
- relay_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, msg: pyrosetta.rosetta.protocols.topology_broker.ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyBroker::relay_message(class protocols::topology_broker::ClaimerMessage &) const –> void
- resolve_sequence_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, label: str) protocols::topology_broker::claims::SequenceClaim ¶
- get the sequence claim that is consistent with the label,
throws EXCN_Unknown_SequenceLabel if not found
C++: protocols::topology_broker::TopologyBroker::resolve_sequence_label(const std::string &) const –> class protocols::topology_broker::claims::SequenceClaim &
- sequence_number_resolver(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker) pyrosetta.rosetta.protocols.topology_broker.SequenceNumberResolver ¶
C++: protocols::topology_broker::TopologyBroker::sequence_number_resolver() const –> const class protocols::topology_broker::SequenceNumberResolver &
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, : pyrosetta.rosetta.core.pose.Pose) None ¶
switch to fullatom — some Claimers might help by providing template based side-chain information
C++: protocols::topology_broker::TopologyBroker::switch_to_fullatom(class core::pose::Pose &) –> void
- use_job_pose(*args, **kwargs)¶
Overloaded function.
use_job_pose(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, setting: bool) -> None
use the input pose from the job (i.e., call new_decoy( pose ) )
C++: protocols::topology_broker::TopologyBroker::use_job_pose(bool) –> void
use_job_pose(self: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker) -> bool
- Returns true if we are using the input pose from the job
(i.e. new_decoy(pose)), false otherwise.
C++: protocols::topology_broker::TopologyBroker::use_job_pose() const –> bool
- class pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer¶
Bases:
pybind11_object
- accept_declined_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
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 … )
C++: protocols::topology_broker::TopologyClaimer::accept_declined_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- add_constraints(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
add constraints to pose… might make this stage dependent as with movers…
C++: protocols::topology_broker::TopologyClaimer::add_constraints(class core::pose::Pose &) const –> void
- add_mover(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.moves.RandomMover, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : pyrosetta.rosetta.core.scoring.ScoreFunction, : float) None ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::add_mover(class protocols::moves::RandomMover &, const class core::pose::Pose &, enum protocols::abinitio::StageID, const class core::scoring::ScoreFunction &, double) –> void
- adjust_relax_movemap(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) None ¶
C++: protocols::topology_broker::TopologyClaimer::adjust_relax_movemap(class core::kinematics::MoveMap &) const –> void
- allow_claim(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::claims::DofClaim) bool ¶
allow a claim from a foreign Claimer
C++: protocols::topology_broker::TopologyClaimer::allow_claim(const class protocols::topology_broker::claims::DofClaim &) –> bool
- assign(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::operator=(const class protocols::topology_broker::TopologyClaimer &) –> class protocols::topology_broker::TopologyClaimer &
- broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) protocols::topology_broker::TopologyBroker ¶
return the broker we are collaborating with
C++: protocols::topology_broker::TopologyClaimer::broker() const –> const class protocols::topology_broker::TopologyBroker &
- build_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.core.kinematics.FoldTree) None ¶
C++: protocols::topology_broker::TopologyClaimer::build_fold_tree(class core::pose::Pose &, class core::kinematics::FoldTree &) –> void
- claim_accepted(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, my_claim: protocols::topology_broker::claims::DofClaim) None ¶
this claim of yours was accepted…. I so far haven’t done anything with this… might go away.
C++: protocols::topology_broker::TopologyClaimer::claim_accepted(class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>) –> void
- claimer_builds_own_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) bool ¶
C++: protocols::topology_broker::TopologyClaimer::claimer_builds_own_fold_tree() –> bool
- clone(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
clone it!
C++: protocols::topology_broker::TopologyClaimer::clone() const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- finalize_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
is called after all round1 claims have been approved or retracted – additional claims can be issued in this round
C++: protocols::topology_broker::TopologyClaimer::finalize_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate first round of DOF claims
C++: protocols::topology_broker::TopologyClaimer::generate_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- generate_sequence_claims(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
generate claims that affect the sequence of the pose
C++: protocols::topology_broker::TopologyClaimer::generate_sequence_claims(class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- get_fold_tree(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.core.kinematics.FoldTree ¶
in case a claimer has its own fold_tree. get_fold_tree() is called by the broker
C++: protocols::topology_broker::TopologyClaimer::get_fold_tree(class core::pose::Pose &) –> class std::shared_ptr<class core::kinematics::FoldTree>
- get_pose_from_claimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.core.pose.Pose ¶
C++: protocols::topology_broker::TopologyClaimer::get_pose_from_claimer() –> class std::shared_ptr<class core::pose::Pose>
- get_self_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_ptr() –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- get_self_weak_ptr(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.std.weak_ptr_protocols_topology_broker_TopologyClaimer_t ¶
C++: protocols::topology_broker::TopologyClaimer::get_self_weak_ptr() –> class std::weak_ptr<class protocols::topology_broker::TopologyClaimer>
- initialize_dofs(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, init_claims: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t, failed_to_init: pyrosetta.rosetta.utility.vector1_std_shared_ptr_protocols_topology_broker_claims_DofClaim_t) None ¶
initialize dofs – e.g., torsions, jumps – Claimer searches init_claims for claims owned by *this
C++: protocols::topology_broker::TopologyClaimer::initialize_dofs(class core::pose::Pose &, const class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &, class utility::vector1<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim>, class std::allocator<class std::shared_ptr<class protocols::topology_broker::claims::DofClaim> > > &) –> void
- label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
C++: protocols::topology_broker::TopologyClaimer::label() const –> const std::string &
- loop_frags(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.kinematics.MoveMap) pyrosetta.rosetta.core.fragment.FragSet ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::loop_frags(class core::kinematics::MoveMap &) const –> class std::shared_ptr<const class core::fragment::FragSet>
- manipulate_cut_bias(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.utility.vector1_double) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::manipulate_cut_bias(class utility::vector1<double, class std::allocator<double> > &) –> void
- mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight ¶
C++: protocols::topology_broker::TopologyClaimer::mover_weight() –> class protocols::topology_broker::weights::AbinitioMoverWeight &
- new_decoy(*args, **kwargs)¶
Overloaded function.
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
a new decoy — random choices to be made ? make them here
C++: protocols::topology_broker::TopologyClaimer::new_decoy() –> void
new_decoy(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) -> None
- an input pose is given, i.e., a starting structure for resampling
don’t make random choices, base choices on given pose
C++: protocols::topology_broker::TopologyClaimer::new_decoy(const class core::pose::Pose &) –> void
- passes_filter(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.protocols.abinitio.StageID, : float, : pyrosetta.rosetta.std.ostringstream) bool ¶
- 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_
C++: protocols::topology_broker::TopologyClaimer::passes_filter(const class core::pose::Pose &, enum protocols::abinitio::StageID, double, class std::basic_ostringstream<char> &) –> bool
- pre_process(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::pre_process(class core::pose::Pose &) –> void
- read(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.std.istream) None ¶
read definition of Claimer from setup file, i.e., a CLAIMER <type> … END_CLAIMER block
C++: protocols::topology_broker::TopologyClaimer::read(std::istream &) –> void
- read_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, is: pyrosetta.rosetta.std.istream) None ¶
read mover weight from Stream. - so far recognizes: LargeStage, SmallStage, SmoothStage, AllStage
C++: protocols::topology_broker::TopologyClaimer::read_mover_weight(std::istream &) –> void
- receive_message(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : protocols::topology_broker::ClaimerMessage) None ¶
C++: protocols::topology_broker::TopologyClaimer::receive_message(class protocols::topology_broker::ClaimerMessage &) –> void
- set_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, ptr: pyrosetta.rosetta.std.weak_ptr_const_protocols_topology_broker_TopologyBroker_t) None ¶
don’t use this — it is called by TopologyBroker add_claim only
C++: protocols::topology_broker::TopologyClaimer::set_broker(class std::weak_ptr<const class protocols::topology_broker::TopologyBroker>) –> void
- set_label(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, str: str) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_label(const std::string &) –> void
- set_mover_weight(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, wset: pyrosetta.rosetta.protocols.topology_broker.weights.AbinitioMoverWeight) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_mover_weight(class std::shared_ptr<class protocols::topology_broker::weights::AbinitioMoverWeight>) –> void
- set_pose_from_broker(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose) None ¶
C++: protocols::topology_broker::TopologyClaimer::set_pose_from_broker(class core::pose::Pose &) –> void
- switch_to_fullatom(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer, : pyrosetta.rosetta.core.pose.Pose, : pyrosetta.rosetta.utility.vector1_bool) None ¶
- 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
C++: protocols::topology_broker::TopologyClaimer::switch_to_fullatom(class core::pose::Pose &, class utility::vector1<bool, class std::allocator<bool> >) const –> void
- type(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) str ¶
name of Claimer
C++: protocols::topology_broker::TopologyClaimer::type() const –> std::string
- class pyrosetta.rosetta.protocols.topology_broker.TopologyClaimerFactory¶
Bases:
SingletonBase_protocols_topology_broker_TopologyClaimerFactory_t
A non-copyable factory for instantiating TopologyClaimers by name. Commonly used TopologyClaimers are registered in the constructor. Additional claimers can be registered after the fact using the add_type() method. APL Question: Should this be one-instance-per-program (singleton) or one-instance-per-job?
- add_type(*args, **kwargs)¶
Overloaded function.
add_type(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimerFactory, name: str, claimer: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
- Registers the TopologyClaimer with name <name>. Instances of this
class can be retrieved by calling newTopologyClaimer(<name>).
C++: protocols::topology_broker::TopologyClaimerFactory::add_type(const std::string &, class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>) –> void
add_type(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimerFactory, claimer: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer) -> None
- Registers the TopologyClaimer using the name returned by
claimer->type(). Instances of this class can be retrieved by calling newTopologyClaimer(<name>).
C++: protocols::topology_broker::TopologyClaimerFactory::add_type(class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>) –> void
- static get_instance() protocols::topology_broker::TopologyClaimerFactory ¶
C++: utility::SingletonBase<protocols::topology_broker::TopologyClaimerFactory>::get_instance() –> class protocols::topology_broker::TopologyClaimerFactory *
- newTopologyClaimer(self: pyrosetta.rosetta.protocols.topology_broker.TopologyClaimerFactory, name: str) pyrosetta.rosetta.protocols.topology_broker.TopologyClaimer ¶
Returns a new instance of the TopologyClaimer identified by <name>
C++: protocols::topology_broker::TopologyClaimerFactory::newTopologyClaimer(const std::string &) const –> class std::shared_ptr<class protocols::topology_broker::TopologyClaimer>
- pyrosetta.rosetta.protocols.topology_broker.add_cmdline_claims(*args, **kwargs)¶
Overloaded function.
add_cmdline_claims(: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker) -> None
add_cmdline_claims(: pyrosetta.rosetta.protocols.topology_broker.TopologyBroker, do_I_need_frags: bool) -> None
read broker::setup flag and add all claims to Broker
C++: protocols::topology_broker::add_cmdline_claims(class protocols::topology_broker::TopologyBroker &, bool) –> void