metrics¶

simple_calculators

Bindings for core::pose::metrics namespace

class pyrosetta.rosetta.core.pose.metrics.CalculatorFactory¶

Bases: pybind11_object

static Instance() → pyrosetta.rosetta.core.pose.metrics.CalculatorFactory¶: C++: core::pose::metrics::CalculatorFactory::Instance() –> class core::pose::metrics::CalculatorFactory &

check_calculator_exists(self: pyrosetta.rosetta.core.pose.metrics.CalculatorFactory, calculator_name: str) → bool¶: C++: core::pose::metrics::CalculatorFactory::check_calculator_exists(const std::string &) –> bool

clear_calculators(self: pyrosetta.rosetta.core.pose.metrics.CalculatorFactory) → bool¶

clear all calculators from factory

false if no calculators in list, true otherwise

C++: core::pose::metrics::CalculatorFactory::clear_calculators() –> bool

register_calculator(self: pyrosetta.rosetta.core.pose.metrics.CalculatorFactory, calculator_name: str, new_calculator: core::pose::metrics::PoseMetricCalculator) → None¶: C++: core::pose::metrics::CalculatorFactory::register_calculator(const std::string &, const class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>) –> void

remove_calculator(self: pyrosetta.rosetta.core.pose.metrics.CalculatorFactory, calculator_name: str) → bool¶

remove a calculator from the factory

true if calculator removed, false if no such calculator

C++: core::pose::metrics::CalculatorFactory::remove_calculator(const std::string &) –> bool

retrieve_calculator(self: pyrosetta.rosetta.core.pose.metrics.CalculatorFactory, calculator_name: str) → core::pose::metrics::PoseMetricCalculator¶: C++: core::pose::metrics::CalculatorFactory::retrieve_calculator(const std::string &) –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>

class pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator¶

Bases: PoseMetricCalculator

assign(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, : pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator) → pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator¶: C++: core::pose::metrics::EnergyDependentCalculator::operator=(const class core::pose::metrics::EnergyDependentCalculator &) –> class core::pose::metrics::EnergyDependentCalculator &

clone(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) → pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator¶: C++: core::pose::metrics::PoseMetricCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>

get(*args, **kwargs)¶

Overloaded function.

get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None

C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void

get(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str

C++: core::pose::metrics::EnergyDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string

notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.EnergyDependentCalculator) → None¶: C++: core::pose::metrics::EnergyDependentCalculator::notify_energy_change() –> void

notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) → None¶: C++: core::pose::metrics::PoseMetricCalculator::notify_structure_change() –> void

class pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator¶

Bases: pybind11_object

assign(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator, : pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) → pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator¶: C++: core::pose::metrics::PoseMetricCalculator::operator=(const class core::pose::metrics::PoseMetricCalculator &) –> class core::pose::metrics::PoseMetricCalculator &

clone(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) → pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator¶: C++: core::pose::metrics::PoseMetricCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>

get(*args, **kwargs)¶

Overloaded function.

get(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None

C++: core::pose::metrics::PoseMetricCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void

get(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str

C++: core::pose::metrics::PoseMetricCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string

notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) → None¶: C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void

notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) → None¶: C++: core::pose::metrics::PoseMetricCalculator::notify_structure_change() –> void

class pyrosetta.rosetta.core.pose.metrics.PoseMetricContainer¶

Bases: pybind11_object

container for managing PoseMetricCalculators

Attaches to a Pose and listens to Pose signals.: It then notifies stored PoseMetricCalculators to recalculate as-needed.

assign(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricContainer, src: pyrosetta.rosetta.core.pose.metrics.PoseMetricContainer) → pyrosetta.rosetta.core.pose.metrics.PoseMetricContainer¶

copy assignment

container keeps observing whatever Pose it was originally observing

C++: core::pose::metrics::PoseMetricContainer::operator=(const class core::pose::metrics::PoseMetricContainer &) –> class core::pose::metrics::PoseMetricContainer &

attach_to(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricContainer, pose: pyrosetta.rosetta.core.pose.Pose) → None¶

attach to a Pose

C++: core::pose::metrics::PoseMetricContainer::attach_to(class core::pose::Pose &) –> void

clear(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricContainer) → None¶

clear the list of metric calculators, reset flags

C++: core::pose::metrics::PoseMetricContainer::clear() –> void

detach_from(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricContainer) → None¶

detach from Pose

C++: core::pose::metrics::PoseMetricContainer::detach_from() –> void

get(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricContainer, calculator_name: str, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) → None¶: C++: core::pose::metrics::PoseMetricContainer::get(const std::string &, const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void

is_observing(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricContainer) → pyrosetta.rosetta.core.pose.Pose¶

is observing a Pose?

the Pose if observing, otherwise NULL

C++: core::pose::metrics::PoseMetricContainer::is_observing() –> const class core::pose::Pose *

on_pose_conf_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricContainer, event: core::pose::signals::ConformationEvent) → None¶

upon receiving pose::signals::ConformationEvent, sets flag telling: calculators to refresh structure based calculations

C++: core::pose::metrics::PoseMetricContainer::on_pose_conf_change(const struct core::pose::signals::ConformationEvent &) –> void

on_pose_destruction_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricContainer, event: core::pose::signals::DestructionEvent) → None¶

upon receiving a pose::signals::DestructionEvent, detaches

C++: core::pose::metrics::PoseMetricContainer::on_pose_destruction_change(const struct core::pose::signals::DestructionEvent &) –> void

on_pose_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricContainer, event: core::pose::signals::EnergyEvent) → None¶

upon receiving a pose:signals::EnergyEvent, sets flag telling: calculators to refresh energy based calculations

C++: core::pose::metrics::PoseMetricContainer::on_pose_energy_change(const struct core::pose::signals::EnergyEvent &) –> void

print(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricContainer, calculator_name: str, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) → str¶

return a string with the results of a PoseMetricCalculator

C++: core::pose::metrics::PoseMetricContainer::print(const std::string &, const std::string &, const class core::pose::Pose &) –> std::string

class pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator¶

Bases: PoseMetricCalculator

assign(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, : pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) → pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator¶: C++: core::pose::metrics::StructureDependentCalculator::operator=(const class core::pose::metrics::StructureDependentCalculator &) –> class core::pose::metrics::StructureDependentCalculator &

clone(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) → pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator¶: C++: core::pose::metrics::PoseMetricCalculator::clone() const –> class std::shared_ptr<class core::pose::metrics::PoseMetricCalculator>

get(*args, **kwargs)¶

Overloaded function.

get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, val: pyrosetta.rosetta.basic.MetricValueBase, this_pose: pyrosetta.rosetta.core.pose.Pose) -> None

C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, class basic::MetricValueBase &, const class core::pose::Pose &) –> void

get(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator, key: str, this_pose: pyrosetta.rosetta.core.pose.Pose) -> str

C++: core::pose::metrics::StructureDependentCalculator::get(const std::string &, const class core::pose::Pose &) –> std::string

notify_energy_change(self: pyrosetta.rosetta.core.pose.metrics.PoseMetricCalculator) → None¶: C++: core::pose::metrics::PoseMetricCalculator::notify_energy_change() –> void

notify_structure_change(self: pyrosetta.rosetta.core.pose.metrics.StructureDependentCalculator) → None¶: C++: core::pose::metrics::StructureDependentCalculator::notify_structure_change() –> void