selector

Bindings for protocols::generalized_kinematic_closure::selector namespace

class pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector

Bases: pybind11_object

apply(self: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector, pose: pyrosetta.rosetta.core.pose.Pose, original_pose: pyrosetta.rosetta.core.pose.Pose, residue_map: pyrosetta.rosetta.utility.vector1_std_pair_unsigned_long_unsigned_long_t, tail_residue_map: pyrosetta.rosetta.utility.vector1_std_pair_unsigned_long_unsigned_long_t, atomlist: pyrosetta.rosetta.utility.vector1_std_pair_core_id_AtomID_numeric_xyzVector_double_t, torsions: pyrosetta.rosetta.utility.vector1_utility_vector1_utility_vector1_double_std_allocator_double_std_allocator_utility_vector1_double_std_allocator_double_t, bondangles: pyrosetta.rosetta.utility.vector1_utility_vector1_utility_vector1_double_std_allocator_double_std_allocator_utility_vector1_double_std_allocator_double_t, bondlengths: pyrosetta.rosetta.utility.vector1_utility_vector1_utility_vector1_double_std_allocator_double_std_allocator_utility_vector1_double_std_allocator_double_t, nsol_for_attempt: pyrosetta.rosetta.utility.vector1_unsigned_long, total_solutions: int, solutions: pyrosetta.rosetta.utility.vector1_std_shared_ptr_const_core_pose_Pose_t, low_memory_mode: bool, energies_for_solution: pyrosetta.rosetta.utility.vector1_double) → int

Applies a selector type to choose a solution, and returns index of chosen solution.

Returns zero if some error occurs. Should always return a nonzero integer, though.

—The loop to be closed.

– The original pose. Can be used for reference by selectors.

—Mapping of (loop residue, original pose residue).

– Mapping of (tail residue index in pose, tail residue index in original_pose).

—The list of (AtomID, original XYZ coordinates of atoms) representing the chain that was closed.

– Matrix of [closure attempt #][solution #][torsion #] with torsion values for each torsion angle in the chain. A selector will pick one solution.

—Matrix of [closure attempt #][solution #][angle #] with bond angle values for each bond angle in the chain. A selector will pick one solution.

– Matrix of [closure attempt #][solution #][bondlength #] with bond length for each bond in the chain. A selector will pick one solution.

—List of the number of solutions for each attempt.

– Total number of solutions found.

—Reference to vector of owning pointers of poses representing solutions, with pre-selection filters already applied.

– Are we running in low memory mode (where vectors of torsions/bondangles/bondlengths are used to store solutions), or default mode (where full poses are stored)?

—Vector of energies for each solution. Used only in low-memory mode.

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::apply(const class core::pose::Pose &, const class core::pose::Pose &, const class utility::vector1<struct std::pair<unsigned long, unsigned long>, class std::allocator<struct std::pair<unsigned long, unsigned long> > > &, const class utility::vector1<struct std::pair<unsigned long, unsigned long>, class std::allocator<struct std::pair<unsigned long, unsigned long> > > &, const class utility::vector1<struct std::pair<class core::id::AtomID, class numeric::xyzVector<double> >, class std::allocator<struct std::pair<class core::id::AtomID, class numeric::xyzVector<double> > > > &, const class utility::vector1<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > >, class std::allocator<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > > > &, const class utility::vector1<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > >, class std::allocator<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > > > &, const class utility::vector1<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > >, class std::allocator<class utility::vector1<class utility::vector1<double, class std::allocator<double> >, class std::allocator<class utility::vector1<double, class std::allocator<double> > > > > > &, const class utility::vector1<unsigned long, class std::allocator<unsigned long> > &, const unsigned long, const class utility::vector1<class std::shared_ptr<const class core::pose::Pose>, class std::allocator<class std::shared_ptr<const class core::pose::Pose> > > &, const bool, const class utility::vector1<double, class std::allocator<double> > &) const –> unsigned long

assign(self: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector, : pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector) → pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::operator=(const class protocols::generalized_kinematic_closure::selector::GeneralizedKICselector &) –> class protocols::generalized_kinematic_closure::selector::GeneralizedKICselector &

clone(self: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector) → pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::clone() const –> class std::shared_ptr<class protocols::generalized_kinematic_closure::selector::GeneralizedKICselector>

static define_valid_selector_name_enumeration(xsd: utility::tag::XMLSchemaDefinition) → None

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::define_valid_selector_name_enumeration(class utility::tag::XMLSchemaDefinition &) –> void

get_boltzmann_temp(self: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector) → float

Returns the Boltzmann temperature used by this selector.

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::get_boltzmann_temp() const –> double

get_name(self: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector) → str

Returns the name of this class.

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::get_name() const –> std::string

get_selector_type(self: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector) → pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.selector_type

Returns the selector type for this selector.

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::get_selector_type() const –> enum protocols::generalized_kinematic_closure::selector::selector_type

get_selector_type_by_name(self: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector, selectorname: str) → pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.selector_type

Given the name of a selector type, return the selector type enum. Returns unknown_selector if not recognized.

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::get_selector_type_by_name(const std::string &) const –> enum protocols::generalized_kinematic_closure::selector::selector_type

get_selector_type_name(self: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector, selector_type: int) → str

Given a selector type, return its name. Returns “unknown_selector” if not recognized.

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::get_selector_type_name(const unsigned long) const –> std::string

scorefunction(self: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector) → pyrosetta.rosetta.core.scoring.ScoreFunction

Get the scorefunction used by this selector.

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::scorefunction() const –> class std::shared_ptr<class core::scoring::ScoreFunction>

set_boltzmann_temp(self: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector, temp: float) → None

Set the Boltzmann temperature used by this selector.

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::set_boltzmann_temp(const double &) –> void

set_scorefunction(self: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector, sfxn: pyrosetta.rosetta.core.scoring.ScoreFunction) → None

Set the scorefunction used by this selector.

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::set_scorefunction(class std::shared_ptr<class core::scoring::ScoreFunction>) –> void

set_selector_type(*args, **kwargs)

Overloaded function.

1. set_selector_type(self: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector, stype: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.selector_type) -> None

Sets the selector type for this selector.

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::set_selector_type(const enum protocols::generalized_kinematic_closure::selector::selector_type &) –> void

2. set_selector_type(self: pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.GeneralizedKICselector, stypename: str) -> None

Sets the selector type for this selector by name.

C++: protocols::generalized_kinematic_closure::selector::GeneralizedKICselector::set_selector_type(const std::string &) –> void

class pyrosetta.rosetta.protocols.generalized_kinematic_closure.selector.selector_type

Bases: pybind11_object

Members:

no_selector

random_selector

lowest_energy_selector

boltzmann_energy_selector

lowest_rmsd_selector

lowest_delta_torsion_selector

unknown_selector

end_of_selector_list

boltzmann_energy_selector = <selector_type.boltzmann_energy_selector: 4>

end_of_selector_list = <selector_type.unknown_selector: 7>

lowest_delta_torsion_selector = <selector_type.lowest_delta_torsion_selector: 6>

lowest_energy_selector = <selector_type.lowest_energy_selector: 3>

lowest_rmsd_selector = <selector_type.lowest_rmsd_selector: 5>

property name

no_selector = <selector_type.no_selector: 1>

random_selector = <selector_type.random_selector: 2>

unknown_selector = <selector_type.unknown_selector: 7>

property value