metrics¶

Bindings for core::simple_metrics::metrics namespace

class pyrosetta.rosetta.core.simple_metrics.metrics.SasaMetric¶

Bases: pyrosetta.rosetta.core.simple_metrics.RealMetric

A Metric to cacluate overall sasa of a pose.

Use the Apply method to calculate and add the metric to the pose score to be written

apply(*args, **kwargs)¶

Overloaded function.

apply(self: pyrosetta.rosetta.core.simple_metrics.RealMetric, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.RealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.RealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str) -> None

Calculate the metric and add it to the pose as a score.

labeled as prefix+metric+suffix.

Score is added through setPoseExtraScore and is output: into the score table/ score file at pose output.

C++: core::simple_metrics::RealMetric::apply(class core::pose::Pose &, class std::basic_string<char>, class std::basic_string<char>) const –> void

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

calculate(self: pyrosetta.rosetta.core.simple_metrics.metrics.SasaMetric, pose: pyrosetta.rosetta.core.pose.Pose) → float¶

Calculate The total sasa of the pose or the SASA of the residues given in a residue selector.

C++: core::simple_metrics::metrics::SasaMetric::calculate(const class core::pose::Pose &) const –> double

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

get_metric_names(self: pyrosetta.rosetta.core.simple_metrics.RealMetric) → pyrosetta.rosetta.utility.vector1_std_string¶

Get the metric name(s) that this Metric will calculate

C++: core::simple_metrics::RealMetric::get_metric_names() const –> class utility::vector1<std::string, class std::allocator<std::string > >

metric(self: pyrosetta.rosetta.core.simple_metrics.metrics.SasaMetric) → str¶

Name of the metric

C++: core::simple_metrics::metrics::SasaMetric::metric() const –> std::string

name(self: pyrosetta.rosetta.core.simple_metrics.metrics.SasaMetric) → str¶

Name of the class

C++: core::simple_metrics::metrics::SasaMetric::name() const –> std::string

name_static() → str¶

Name of the class for creator.

C++: core::simple_metrics::metrics::SasaMetric::name_static() –> std::string

parse_my_tag(self: pyrosetta.rosetta.core.simple_metrics.metrics.SasaMetric, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) → None¶

called by parse_my_tag – should not be used directly

C++: core::simple_metrics::metrics::SasaMetric::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void

provide_xml_schema(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶: C++: core::simple_metrics::metrics::SasaMetric::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

set_residue_selector(self: pyrosetta.rosetta.core.simple_metrics.metrics.SasaMetric, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶

Set a residue selector to calculate total sasa of residues in the selector.

C++: core::simple_metrics::metrics::SasaMetric::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void

type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) → str¶: C++: core::simple_metrics::SimpleMetric::type() const –> std::string

class pyrosetta.rosetta.core.simple_metrics.metrics.SecondaryStructureMetric¶

Bases: pyrosetta.rosetta.core.simple_metrics.StringMetric

A SimpleMetric to output the secondary structure of the protein or residues selected by a residue selector. Uses DSSP

apply(*args, **kwargs)¶

Overloaded function.

apply(self: pyrosetta.rosetta.core.simple_metrics.StringMetric, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.StringMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.StringMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str) -> None

Calculate the metric and add it to the pose as a score.

labeled as prefix+metric+suffix.

Score is added through setPoseExtraScore and is output: into the score table/ score file at pose output.

C++: core::simple_metrics::StringMetric::apply(class core::pose::Pose &, class std::basic_string<char>, class std::basic_string<char>) const –> void

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

calculate(self: pyrosetta.rosetta.core.simple_metrics.metrics.SecondaryStructureMetric, pose: pyrosetta.rosetta.core.pose.Pose) → str¶

Calculate the metric. Return the SS string using DSSP.: Reduced, 3 letter alphabet as the default.

C++: core::simple_metrics::metrics::SecondaryStructureMetric::calculate(const class core::pose::Pose &) const –> std::string

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

get_metric_names(self: pyrosetta.rosetta.core.simple_metrics.StringMetric) → pyrosetta.rosetta.utility.vector1_std_string¶

Get the metric name that this Metric will calculate

C++: core::simple_metrics::StringMetric::get_metric_names() const –> class utility::vector1<std::string, class std::allocator<std::string > >

metric(self: pyrosetta.rosetta.core.simple_metrics.metrics.SecondaryStructureMetric) → str¶

Name of the metric

C++: core::simple_metrics::metrics::SecondaryStructureMetric::metric() const –> std::string

name(self: pyrosetta.rosetta.core.simple_metrics.metrics.SecondaryStructureMetric) → str¶

Name of the class

C++: core::simple_metrics::metrics::SecondaryStructureMetric::name() const –> std::string

name_static() → str¶

Name of the class for creator.

C++: core::simple_metrics::metrics::SecondaryStructureMetric::name_static() –> std::string

parse_my_tag(self: pyrosetta.rosetta.core.simple_metrics.metrics.SecondaryStructureMetric, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) → None¶

called by parse_my_tag – should not be used directly

C++: core::simple_metrics::metrics::SecondaryStructureMetric::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void

provide_xml_schema(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶: C++: core::simple_metrics::metrics::SecondaryStructureMetric::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

set_residue_selector(self: pyrosetta.rosetta.core.simple_metrics.metrics.SecondaryStructureMetric, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶: C++: core::simple_metrics::metrics::SecondaryStructureMetric::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void

set_use_dssp_reduced(self: pyrosetta.rosetta.core.simple_metrics.metrics.SecondaryStructureMetric, reduced: bool) → None¶

Set to use the reduced DSSP alphabet or not.: Default true.

C++: core::simple_metrics::metrics::SecondaryStructureMetric::set_use_dssp_reduced(bool) –> void

type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) → str¶: C++: core::simple_metrics::SimpleMetric::type() const –> std::string

class pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResidueCountMetric¶

Bases: pyrosetta.rosetta.core.simple_metrics.RealMetric

A SimpleMetric that counts the number of residues in a residue selection.

apply(*args, **kwargs)¶

Overloaded function.

apply(self: pyrosetta.rosetta.core.simple_metrics.RealMetric, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.RealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.RealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str) -> None

Calculate the metric and add it to the pose as a score.

labeled as prefix+metric+suffix.

Score is added through setPoseExtraScore and is output: into the score table/ score file at pose output.

C++: core::simple_metrics::RealMetric::apply(class core::pose::Pose &, class std::basic_string<char>, class std::basic_string<char>) const –> void

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

calculate(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResidueCountMetric, pose: pyrosetta.rosetta.core.pose.Pose) → float¶

Calculate the metric.

C++: core::simple_metrics::metrics::SelectedResidueCountMetric::calculate(const class core::pose::Pose &) const –> double

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

get_metric_names(self: pyrosetta.rosetta.core.simple_metrics.RealMetric) → pyrosetta.rosetta.utility.vector1_std_string¶

Get the metric name(s) that this Metric will calculate

C++: core::simple_metrics::RealMetric::get_metric_names() const –> class utility::vector1<std::string, class std::allocator<std::string > >

metric(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResidueCountMetric) → str¶

Name of the metric

C++: core::simple_metrics::metrics::SelectedResidueCountMetric::metric() const –> std::string

name(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResidueCountMetric) → str¶

Name of the class

C++: core::simple_metrics::metrics::SelectedResidueCountMetric::name() const –> std::string

name_static() → str¶

Name of the class for creator.

C++: core::simple_metrics::metrics::SelectedResidueCountMetric::name_static() –> std::string

parse_my_tag(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResidueCountMetric, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) → None¶

called by parse_my_tag – should not be used directly

C++: core::simple_metrics::metrics::SelectedResidueCountMetric::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void

provide_xml_schema(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶: C++: core::simple_metrics::metrics::SelectedResidueCountMetric::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

remove_residue_selector(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResidueCountMetric) → None¶

Remove the residue selector.

In the absence of a residue selector, this metric returns the number of residues in a pose.

C++: core::simple_metrics::metrics::SelectedResidueCountMetric::remove_residue_selector() –> void

set_residue_selector(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResidueCountMetric, selector_in: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶

Set the residue selector.

Copies the input pointer; doesn’t clone the object.

C++: core::simple_metrics::metrics::SelectedResidueCountMetric::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void

type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) → str¶: C++: core::simple_metrics::SimpleMetric::type() const –> std::string

class pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResiduesMetric¶

Bases: pyrosetta.rosetta.core.simple_metrics.StringMetric

Output residue-selected residues to a score file as rosetta resnums or pdbnums.

apply(*args, **kwargs)¶

Overloaded function.

apply(self: pyrosetta.rosetta.core.simple_metrics.StringMetric, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.StringMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.StringMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str) -> None

Calculate the metric and add it to the pose as a score.

labeled as prefix+metric+suffix.

Score is added through setPoseExtraScore and is output: into the score table/ score file at pose output.

C++: core::simple_metrics::StringMetric::apply(class core::pose::Pose &, class std::basic_string<char>, class std::basic_string<char>) const –> void

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

calculate(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResiduesMetric, pose: pyrosetta.rosetta.core.pose.Pose) → str¶

Output a comma-separated list of residues either in PDB (default) or Rosetta numbers.

C++: core::simple_metrics::metrics::SelectedResiduesMetric::calculate(const class core::pose::Pose &) const –> std::string

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

get_metric_names(self: pyrosetta.rosetta.core.simple_metrics.StringMetric) → pyrosetta.rosetta.utility.vector1_std_string¶

Get the metric name that this Metric will calculate

C++: core::simple_metrics::StringMetric::get_metric_names() const –> class utility::vector1<std::string, class std::allocator<std::string > >

metric(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResiduesMetric) → str¶

Name of the metric

C++: core::simple_metrics::metrics::SelectedResiduesMetric::metric() const –> std::string

name(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResiduesMetric) → str¶

Name of the class

C++: core::simple_metrics::metrics::SelectedResiduesMetric::name() const –> std::string

name_static() → str¶

Name of the class for creator.

C++: core::simple_metrics::metrics::SelectedResiduesMetric::name_static() –> std::string

parse_my_tag(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResiduesMetric, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) → None¶

called by parse_my_tag – should not be used directly

C++: core::simple_metrics::metrics::SelectedResiduesMetric::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void

provide_xml_schema(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶: C++: core::simple_metrics::metrics::SelectedResiduesMetric::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

set_output_in_rosetta_num(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResiduesMetric, output_in_rosetta_num: bool) → None¶

Set the mode in which we will output the selected residues.

C++: core::simple_metrics::metrics::SelectedResiduesMetric::set_output_in_rosetta_num(bool) –> void

set_residue_selector(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResiduesMetric, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶

Set the required residue selector.

C++: core::simple_metrics::metrics::SelectedResiduesMetric::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void

type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) → str¶: C++: core::simple_metrics::SimpleMetric::type() const –> std::string

class pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResiduesPyMOLMetric¶

Bases: pyrosetta.rosetta.core.simple_metrics.StringMetric

A utility metric to output a string of selected residues from a residue selector as a pymol selection.

apply(*args, **kwargs)¶

Overloaded function.

apply(self: pyrosetta.rosetta.core.simple_metrics.StringMetric, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.StringMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.StringMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str) -> None

Calculate the metric and add it to the pose as a score.

labeled as prefix+metric+suffix.

Score is added through setPoseExtraScore and is output: into the score table/ score file at pose output.

C++: core::simple_metrics::StringMetric::apply(class core::pose::Pose &, class std::basic_string<char>, class std::basic_string<char>) const –> void

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

calculate(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResiduesPyMOLMetric, pose: pyrosetta.rosetta.core.pose.Pose) → str¶

Output the selected residues froms a ResidueSelector as a PyMol selection string.

C++: core::simple_metrics::metrics::SelectedResiduesPyMOLMetric::calculate(const class core::pose::Pose &) const –> std::string

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

get_metric_names(self: pyrosetta.rosetta.core.simple_metrics.StringMetric) → pyrosetta.rosetta.utility.vector1_std_string¶

Get the metric name that this Metric will calculate

C++: core::simple_metrics::StringMetric::get_metric_names() const –> class utility::vector1<std::string, class std::allocator<std::string > >

metric(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResiduesPyMOLMetric) → str¶

Name of the metric

C++: core::simple_metrics::metrics::SelectedResiduesPyMOLMetric::metric() const –> std::string

name(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResiduesPyMOLMetric) → str¶

Name of the class

C++: core::simple_metrics::metrics::SelectedResiduesPyMOLMetric::name() const –> std::string

name_static() → str¶

Name of the class for creator.

C++: core::simple_metrics::metrics::SelectedResiduesPyMOLMetric::name_static() –> std::string

parse_my_tag(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResiduesPyMOLMetric, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) → None¶

called by parse_my_tag – should not be used directly

C++: core::simple_metrics::metrics::SelectedResiduesPyMOLMetric::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void

provide_xml_schema(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶: C++: core::simple_metrics::metrics::SelectedResiduesPyMOLMetric::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

set_residue_selector(self: pyrosetta.rosetta.core.simple_metrics.metrics.SelectedResiduesPyMOLMetric, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶

Set the required Residue Selector

C++: core::simple_metrics::metrics::SelectedResiduesPyMOLMetric::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void

type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) → str¶: C++: core::simple_metrics::SimpleMetric::type() const –> std::string

class pyrosetta.rosetta.core.simple_metrics.metrics.SequenceMetric¶

Bases: pyrosetta.rosetta.core.simple_metrics.StringMetric

A SimpleMetric to output the single-letter OR three-letter sequence of a protein or subset of positions/regions using a ResidueSelector.

apply(*args, **kwargs)¶

Overloaded function.

apply(self: pyrosetta.rosetta.core.simple_metrics.StringMetric, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.StringMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.StringMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str) -> None

Calculate the metric and add it to the pose as a score.

labeled as prefix+metric+suffix.

Score is added through setPoseExtraScore and is output: into the score table/ score file at pose output.

C++: core::simple_metrics::StringMetric::apply(class core::pose::Pose &, class std::basic_string<char>, class std::basic_string<char>) const –> void

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

calculate(self: pyrosetta.rosetta.core.simple_metrics.metrics.SequenceMetric, pose: pyrosetta.rosetta.core.pose.Pose) → str¶

Calculate the metric.

C++: core::simple_metrics::metrics::SequenceMetric::calculate(const class core::pose::Pose &) const –> std::string

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

get_metric_names(self: pyrosetta.rosetta.core.simple_metrics.StringMetric) → pyrosetta.rosetta.utility.vector1_std_string¶

Get the metric name that this Metric will calculate

C++: core::simple_metrics::StringMetric::get_metric_names() const –> class utility::vector1<std::string, class std::allocator<std::string > >

metric(self: pyrosetta.rosetta.core.simple_metrics.metrics.SequenceMetric) → str¶

Name of the metric

C++: core::simple_metrics::metrics::SequenceMetric::metric() const –> std::string

name(self: pyrosetta.rosetta.core.simple_metrics.metrics.SequenceMetric) → str¶

Name of the class

C++: core::simple_metrics::metrics::SequenceMetric::name() const –> std::string

name_static() → str¶

Name of the class for creator.

C++: core::simple_metrics::metrics::SequenceMetric::name_static() –> std::string

parse_my_tag(self: pyrosetta.rosetta.core.simple_metrics.metrics.SequenceMetric, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) → None¶

called by parse_my_tag – should not be used directly

C++: core::simple_metrics::metrics::SequenceMetric::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void

provide_xml_schema(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶: C++: core::simple_metrics::metrics::SequenceMetric::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

set_residue_selector(self: pyrosetta.rosetta.core.simple_metrics.metrics.SequenceMetric, selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) → None¶: C++: core::simple_metrics::metrics::SequenceMetric::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void

set_use_three_letter_code(self: pyrosetta.rosetta.core.simple_metrics.metrics.SequenceMetric, three_letter: bool) → None¶

Set this metric to output the three-letter code instead of the single-letter code.: Useful for ligands/carbohydrates

C++: core::simple_metrics::metrics::SequenceMetric::set_use_three_letter_code(bool) –> void

type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) → str¶: C++: core::simple_metrics::SimpleMetric::type() const –> std::string

class pyrosetta.rosetta.core.simple_metrics.metrics.TimingProfileMetric¶

Bases: pyrosetta.rosetta.core.simple_metrics.RealMetric

Calculate the time difference between construction and apply/calculate. Useful to time protocols in RosettaScripts or through mover containers.

apply(*args, **kwargs)¶

Overloaded function.

apply(self: pyrosetta.rosetta.core.simple_metrics.RealMetric, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.RealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.RealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str) -> None

Calculate the metric and add it to the pose as a score.

labeled as prefix+metric+suffix.

Score is added through setPoseExtraScore and is output: into the score table/ score file at pose output.

C++: core::simple_metrics::RealMetric::apply(class core::pose::Pose &, class std::basic_string<char>, class std::basic_string<char>) const –> void

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

calculate(self: pyrosetta.rosetta.core.simple_metrics.metrics.TimingProfileMetric, pose: pyrosetta.rosetta.core.pose.Pose) → float¶

Returns time from construction to the call of this function in minutes, with decimal.: Options are available to calculate in hours instead.

C++: core::simple_metrics::metrics::TimingProfileMetric::calculate(const class core::pose::Pose &) const –> double

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

get_metric_names(self: pyrosetta.rosetta.core.simple_metrics.RealMetric) → pyrosetta.rosetta.utility.vector1_std_string¶

Get the metric name(s) that this Metric will calculate

C++: core::simple_metrics::RealMetric::get_metric_names() const –> class utility::vector1<std::string, class std::allocator<std::string > >

metric(self: pyrosetta.rosetta.core.simple_metrics.metrics.TimingProfileMetric) → str¶

Name of the metric

C++: core::simple_metrics::metrics::TimingProfileMetric::metric() const –> std::string

name(self: pyrosetta.rosetta.core.simple_metrics.metrics.TimingProfileMetric) → str¶

Name of the class

C++: core::simple_metrics::metrics::TimingProfileMetric::name() const –> std::string

name_static() → str¶

Name of the class for creator.

C++: core::simple_metrics::metrics::TimingProfileMetric::name_static() –> std::string

parse_my_tag(self: pyrosetta.rosetta.core.simple_metrics.metrics.TimingProfileMetric, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) → None¶

called by parse_my_tag – should not be used directly

C++: core::simple_metrics::metrics::TimingProfileMetric::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void

provide_xml_schema(xsd: pyrosetta.rosetta.utility.tag.XMLSchemaDefinition) → None¶: C++: core::simple_metrics::metrics::TimingProfileMetric::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void

set_calc_in_hours(self: pyrosetta.rosetta.core.simple_metrics.metrics.TimingProfileMetric, calc_in_hours: bool) → None¶

Set option to calculate the timings in hours.: Default false (minutes)

C++: core::simple_metrics::metrics::TimingProfileMetric::set_calc_in_hours(bool) –> void

type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) → str¶: C++: core::simple_metrics::SimpleMetric::type() const –> std::string