composite_metrics¶
Bindings for core::simple_metrics::composite_metrics namespace
- class pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetric¶
Bases:
pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric
A metric to report/calculate all of the energies of a scorefunction that are not 0 or the delta of each energy between another input pose
- apply(*args, **kwargs)¶
Overloaded function.
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str, override_existing_data: bool) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, out_label: str, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, out_label: str, pose: pyrosetta.rosetta.core.pose.Pose, override_existing_data: bool) -> None
- Calculate the metric and add it to the SimpleMetricData cache in the pose.
labeled as out_label.
Data is output into the final score file, but can be accessed if needed through the cache.
/
C++: core::simple_metrics::CompositeRealMetric::apply(const std::string &, class core::pose::Pose &, bool) const –> void
- assign(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetric, : pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetric) pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetric ¶
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetric::operator=(const class core::simple_metrics::composite_metrics::CompositeEnergyMetric &) –> class core::simple_metrics::composite_metrics::CompositeEnergyMetric &
- cached_calculate(*args, **kwargs)¶
Overloaded function.
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool) -> pyrosetta.rosetta.std.map_std_string_double
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool, prefix: str) -> pyrosetta.rosetta.std.map_std_string_double
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool, prefix: str, suffix: str) -> pyrosetta.rosetta.std.map_std_string_double
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool, prefix: str, suffix: str, fail_on_missing_cache: bool) -> pyrosetta.rosetta.std.map_std_string_double
Grab the data from the pose if it exists or calculate the metric
If use_cache is true, we will attempt to pull the data from the pose. If fail_on_missing_cache is true, we will fail, otherwise, we will calculate the metric.
- This function is meant to support caching metrics, so values do not need to be calculated twice,
for example in SimpleMetricFilter/Features or code-wise where data takes a while to calculate and can be reused.
C++: core::simple_metrics::CompositeRealMetric::cached_calculate(const class core::pose::Pose &, bool, std::string, std::string, bool) const –> class std::map<std::string, double, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, double> > >
- calculate(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetric, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.std.map_std_string_double ¶
Calculate the metric.
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetric::calculate(const class core::pose::Pose &) const –> class std::map<std::string, double, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, double> > >
- clone(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetric) pyrosetta.rosetta.core.simple_metrics.SimpleMetric ¶
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetric::clone() const –> class std::shared_ptr<class core::simple_metrics::SimpleMetric>
- static complex_type_generator_for_simple_metric(: utility::tag::XMLSchemaDefinition) utility::tag::XMLSchemaComplexTypeGenerator ¶
C++: core::simple_metrics::SimpleMetric::complex_type_generator_for_simple_metric(class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
- get_custom_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) str ¶
Output data name will be prefix+custom_type+type+suffix
C++: core::simple_metrics::SimpleMetric::get_custom_type() const –> std::string
- get_final_sm_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) str ¶
Get the final name of this metric including its simple_metric_type_ name and any set custom type.
C++: core::simple_metrics::SimpleMetric::get_final_sm_type() const –> std::string
- get_metric_names(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetric) pyrosetta.rosetta.utility.vector1_std_string ¶
Get the metric name(s) that this Metric will calculate
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetric::get_metric_names() const –> class utility::vector1<std::string, class std::allocator<std::string > >
- metric(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetric) str ¶
Name of the metric
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetric::metric() const –> std::string
- name(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetric) str ¶
Name of the class
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetric::name() const –> std::string
- static name_static() str ¶
Name of the class for creator.
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetric::name_static() –> std::string
- parse_base_tag(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric, tag: utility::tag::Tag) None ¶
Parse the base class tag. Keep required interface for parse_my_tag.
C++: core::simple_metrics::SimpleMetric::parse_base_tag(class std::shared_ptr<const class utility::tag::Tag>) –> void
- parse_my_tag(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetric, 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::composite_metrics::CompositeEnergyMetric::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- provide_citation_info(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric, : 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 simple metrics wishing to provide citation information.
C++: core::simple_metrics::SimpleMetric::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void
- static provide_xml_schema(xsd: utility::tag::XMLSchemaDefinition) None ¶
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetric::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
- set_comparison_pose(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetric, pose: pyrosetta.rosetta.core.pose.Pose) None ¶
- Set a pose into to calculate/report delta of total energy.
(apply_pose - comparison_pose)
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetric::set_comparison_pose(class std::shared_ptr<const class core::pose::Pose>) –> void
- set_custom_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric, custom_type: str) None ¶
C++: core::simple_metrics::SimpleMetric::set_custom_type(const std::string &) –> void
- set_residue_selector(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetric, residue_selector: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) None ¶
Set a residue selector to each energy term for the subset of residues.
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetric::set_residue_selector(class std::shared_ptr<const class core::select::residue_selector::ResidueSelector>) –> void
- set_scorefunction(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetric, scorefxn: pyrosetta.rosetta.core.scoring.ScoreFunction) None ¶
Set a scorefunction. Will use default Rosetta scorefunction if not set.
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetric::set_scorefunction(class std::shared_ptr<const class core::scoring::ScoreFunction>) –> void
- simple_metric_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) str ¶
C++: core::simple_metrics::SimpleMetric::simple_metric_type() const –> std::string
- class pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetricCreator¶
Bases:
pyrosetta.rosetta.core.simple_metrics.SimpleMetricCreator
- assign(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetricCreator, : pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetricCreator) pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetricCreator ¶
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetricCreator::operator=(const class core::simple_metrics::composite_metrics::CompositeEnergyMetricCreator &) –> class core::simple_metrics::composite_metrics::CompositeEnergyMetricCreator &
- create_simple_metric(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetricCreator) pyrosetta.rosetta.core.simple_metrics.SimpleMetric ¶
Instantiate a particular SimpleMetric
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetricCreator::create_simple_metric() const –> class std::shared_ptr<class core::simple_metrics::SimpleMetric>
- keyname(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetricCreator) str ¶
Return a string that will be used to instantiate the particular SimpleMetric
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetricCreator::keyname() const –> std::string
- provide_xml_schema(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.CompositeEnergyMetricCreator, : utility::tag::XMLSchemaDefinition) None ¶
C++: core::simple_metrics::composite_metrics::CompositeEnergyMetricCreator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void
- class pyrosetta.rosetta.core.simple_metrics.composite_metrics.EXCN_CalcFailed¶
Bases:
pyrosetta.rosetta.utility.excn.Exception
Super-simple exception to be thrown when the EC calculator fails to compute
- 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.core.simple_metrics.composite_metrics.EXCN_CalcFailed, : pyrosetta.rosetta.core.simple_metrics.composite_metrics.EXCN_CalcFailed) pyrosetta.rosetta.core.simple_metrics.composite_metrics.EXCN_CalcFailed ¶
C++: core::simple_metrics::composite_metrics::EXCN_CalcFailed::operator=(const class core::simple_metrics::composite_metrics::EXCN_CalcFailed &) –> class core::simple_metrics::composite_metrics::EXCN_CalcFailed &
- 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.core.simple_metrics.composite_metrics.EXCN_InitFailed¶
Bases:
pyrosetta.rosetta.utility.excn.Exception
Super-simple exception to be thrown when we can’t initialize the EC calculator
- 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.core.simple_metrics.composite_metrics.EXCN_InitFailed, : pyrosetta.rosetta.core.simple_metrics.composite_metrics.EXCN_InitFailed) pyrosetta.rosetta.core.simple_metrics.composite_metrics.EXCN_InitFailed ¶
C++: core::simple_metrics::composite_metrics::EXCN_InitFailed::operator=(const class core::simple_metrics::composite_metrics::EXCN_InitFailed &) –> class core::simple_metrics::composite_metrics::EXCN_InitFailed &
- 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.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric¶
Bases:
pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric
- apply(*args, **kwargs)¶
Overloaded function.
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str, override_existing_data: bool) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, out_label: str, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, out_label: str, pose: pyrosetta.rosetta.core.pose.Pose, override_existing_data: bool) -> None
- Calculate the metric and add it to the SimpleMetricData cache in the pose.
labeled as out_label.
Data is output into the final score file, but can be accessed if needed through the cache.
/
C++: core::simple_metrics::CompositeRealMetric::apply(const std::string &, class core::pose::Pose &, bool) const –> void
- assign(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric, : pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric) pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::operator=(const class core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric &) –> class core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric &
- cached_calculate(*args, **kwargs)¶
Overloaded function.
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool) -> pyrosetta.rosetta.std.map_std_string_double
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool, prefix: str) -> pyrosetta.rosetta.std.map_std_string_double
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool, prefix: str, suffix: str) -> pyrosetta.rosetta.std.map_std_string_double
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool, prefix: str, suffix: str, fail_on_missing_cache: bool) -> pyrosetta.rosetta.std.map_std_string_double
Grab the data from the pose if it exists or calculate the metric
If use_cache is true, we will attempt to pull the data from the pose. If fail_on_missing_cache is true, we will fail, otherwise, we will calculate the metric.
- This function is meant to support caching metrics, so values do not need to be calculated twice,
for example in SimpleMetricFilter/Features or code-wise where data takes a while to calculate and can be reused.
C++: core::simple_metrics::CompositeRealMetric::cached_calculate(const class core::pose::Pose &, bool, std::string, std::string, bool) const –> class std::map<std::string, double, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, double> > >
- calculate(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.std.map_std_string_double ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::calculate(const class core::pose::Pose &) const –> class std::map<std::string, double, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, double> > >
- clone(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric) pyrosetta.rosetta.core.simple_metrics.SimpleMetric ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::clone() const –> class std::shared_ptr<class core::simple_metrics::SimpleMetric>
- static complex_type_generator_for_simple_metric(: utility::tag::XMLSchemaDefinition) utility::tag::XMLSchemaComplexTypeGenerator ¶
C++: core::simple_metrics::SimpleMetric::complex_type_generator_for_simple_metric(class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
- get_custom_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) str ¶
Output data name will be prefix+custom_type+type+suffix
C++: core::simple_metrics::SimpleMetric::get_custom_type() const –> std::string
- get_final_sm_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) str ¶
Get the final name of this metric including its simple_metric_type_ name and any set custom type.
C++: core::simple_metrics::SimpleMetric::get_final_sm_type() const –> std::string
- get_metric_names(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric) pyrosetta.rosetta.utility.vector1_std_string ¶
Get the metric name(s) that this Metric will calculate
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::get_metric_names() const –> class utility::vector1<std::string, class std::allocator<std::string > >
- ignore_radius(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric, ignore_radius: float) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::ignore_radius(double) –> void
- interface_trim_radius(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric, interface_trim_radius: float) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::interface_trim_radius(double) –> void
- jump_id(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric, jump: int) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::jump_id(unsigned long) –> void
- metric(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric) str ¶
Name of the metric
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::metric() const –> std::string
- name(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric) str ¶
Name of the class
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::name() const –> std::string
- static name_static() str ¶
Name of the class for creator.
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::name_static() –> std::string
- parse_base_tag(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric, tag: utility::tag::Tag) None ¶
Parse the base class tag. Keep required interface for parse_my_tag.
C++: core::simple_metrics::SimpleMetric::parse_base_tag(class std::shared_ptr<const class utility::tag::Tag>) –> void
- parse_my_tag(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- partially_solvated(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric, partially_solvated: bool) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::partially_solvated(bool) –> void
- provide_citation_info(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric, : 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 simple metrics wishing to provide citation information.
C++: core::simple_metrics::SimpleMetric::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void
- static provide_xml_schema(xsd: utility::tag::XMLSchemaDefinition) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
- report_all_ec(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric, report: bool) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::report_all_ec(bool) –> void
- residue_selector1(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric, sel: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::residue_selector1(const class std::shared_ptr<const class core::select::residue_selector::ResidueSelector> &) –> void
- residue_selector2(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetric, sel: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetric::residue_selector2(const class std::shared_ptr<const class core::select::residue_selector::ResidueSelector> &) –> void
- set_custom_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric, custom_type: str) None ¶
C++: core::simple_metrics::SimpleMetric::set_custom_type(const std::string &) –> void
- simple_metric_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) str ¶
C++: core::simple_metrics::SimpleMetric::simple_metric_type() const –> std::string
- class pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetricCreator¶
Bases:
pyrosetta.rosetta.core.simple_metrics.SimpleMetricCreator
- assign(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetricCreator, : pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetricCreator) pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetricCreator ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetricCreator::operator=(const class core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetricCreator &) –> class core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetricCreator &
- create_simple_metric(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetricCreator) pyrosetta.rosetta.core.simple_metrics.SimpleMetric ¶
Instantiate a particular SimpleMetric
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetricCreator::create_simple_metric() const –> class std::shared_ptr<class core::simple_metrics::SimpleMetric>
- keyname(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetricCreator) str ¶
Return a string that will be used to instantiate the particular SimpleMetric
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetricCreator::keyname() const –> std::string
- provide_xml_schema(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticComplementarityMetricCreator, : utility::tag::XMLSchemaDefinition) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticComplementarityMetricCreator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void
- class pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric¶
Bases:
pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric
- apply(*args, **kwargs)¶
Overloaded function.
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str, override_existing_data: bool) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, out_label: str, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, out_label: str, pose: pyrosetta.rosetta.core.pose.Pose, override_existing_data: bool) -> None
- Calculate the metric and add it to the SimpleMetricData cache in the pose.
labeled as out_label.
Data is output into the final score file, but can be accessed if needed through the cache.
/
C++: core::simple_metrics::CompositeRealMetric::apply(const std::string &, class core::pose::Pose &, bool) const –> void
- assign(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric, : pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric) pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::operator=(const class core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric &) –> class core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric &
- cached_calculate(*args, **kwargs)¶
Overloaded function.
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool) -> pyrosetta.rosetta.std.map_std_string_double
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool, prefix: str) -> pyrosetta.rosetta.std.map_std_string_double
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool, prefix: str, suffix: str) -> pyrosetta.rosetta.std.map_std_string_double
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeRealMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool, prefix: str, suffix: str, fail_on_missing_cache: bool) -> pyrosetta.rosetta.std.map_std_string_double
Grab the data from the pose if it exists or calculate the metric
If use_cache is true, we will attempt to pull the data from the pose. If fail_on_missing_cache is true, we will fail, otherwise, we will calculate the metric.
- This function is meant to support caching metrics, so values do not need to be calculated twice,
for example in SimpleMetricFilter/Features or code-wise where data takes a while to calculate and can be reused.
C++: core::simple_metrics::CompositeRealMetric::cached_calculate(const class core::pose::Pose &, bool, std::string, std::string, bool) const –> class std::map<std::string, double, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, double> > >
- calculate(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.std.map_std_string_double ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::calculate(const class core::pose::Pose &) const –> class std::map<std::string, double, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, double> > >
- clone(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric) pyrosetta.rosetta.core.simple_metrics.SimpleMetric ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::clone() const –> class std::shared_ptr<class core::simple_metrics::SimpleMetric>
- static complex_type_generator_for_simple_metric(: utility::tag::XMLSchemaDefinition) utility::tag::XMLSchemaComplexTypeGenerator ¶
C++: core::simple_metrics::SimpleMetric::complex_type_generator_for_simple_metric(class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
- get_custom_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) str ¶
Output data name will be prefix+custom_type+type+suffix
C++: core::simple_metrics::SimpleMetric::get_custom_type() const –> std::string
- get_final_sm_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) str ¶
Get the final name of this metric including its simple_metric_type_ name and any set custom type.
C++: core::simple_metrics::SimpleMetric::get_final_sm_type() const –> std::string
- get_metric_names(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric) pyrosetta.rosetta.utility.vector1_std_string ¶
Get the metric name(s) that this Metric will calculate
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::get_metric_names() const –> class utility::vector1<std::string, class std::allocator<std::string > >
- metric(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric) str ¶
Name of the metric
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::metric() const –> std::string
- name(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric) str ¶
Name of the class
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::name() const –> std::string
- static name_static() str ¶
Name of the class for creator.
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::name_static() –> std::string
- parse_base_tag(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric, tag: utility::tag::Tag) None ¶
Parse the base class tag. Keep required interface for parse_my_tag.
C++: core::simple_metrics::SimpleMetric::parse_base_tag(class std::shared_ptr<const class utility::tag::Tag>) –> void
- parse_my_tag(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric, tag: pyrosetta.rosetta.utility.tag.Tag, data: pyrosetta.rosetta.basic.datacache.DataMap) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- partially_solvated(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric, partially_solvated: bool) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::partially_solvated(bool) –> void
- provide_citation_info(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric, : 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 simple metrics wishing to provide citation information.
C++: core::simple_metrics::SimpleMetric::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void
- static provide_xml_schema(xsd: utility::tag::XMLSchemaDefinition) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
- report_all_es(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric, report: bool) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::report_all_es(bool) –> void
- residue_selector1(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric, sel: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::residue_selector1(const class std::shared_ptr<const class core::select::residue_selector::ResidueSelector> &) –> void
- residue_selector2(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetric, sel: pyrosetta.rosetta.core.select.residue_selector.ResidueSelector) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetric::residue_selector2(const class std::shared_ptr<const class core::select::residue_selector::ResidueSelector> &) –> void
- set_custom_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric, custom_type: str) None ¶
C++: core::simple_metrics::SimpleMetric::set_custom_type(const std::string &) –> void
- simple_metric_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) str ¶
C++: core::simple_metrics::SimpleMetric::simple_metric_type() const –> std::string
- class pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetricCreator¶
Bases:
pyrosetta.rosetta.core.simple_metrics.SimpleMetricCreator
- assign(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetricCreator, : pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetricCreator) pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetricCreator ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetricCreator::operator=(const class core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetricCreator &) –> class core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetricCreator &
- create_simple_metric(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetricCreator) pyrosetta.rosetta.core.simple_metrics.SimpleMetric ¶
Instantiate a particular SimpleMetric
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetricCreator::create_simple_metric() const –> class std::shared_ptr<class core::simple_metrics::SimpleMetric>
- keyname(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetricCreator) str ¶
Return a string that will be used to instantiate the particular SimpleMetric
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetricCreator::keyname() const –> std::string
- provide_xml_schema(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ElectrostaticSimilarityMetricCreator, : utility::tag::XMLSchemaDefinition) None ¶
C++: core::simple_metrics::composite_metrics::ElectrostaticSimilarityMetricCreator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void
- class pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric¶
Bases:
pyrosetta.rosetta.core.simple_metrics.CompositeStringMetric
This Metric reports options that have been set in the command line and splits script_vars. Each option name is the type and the setting is the value in the map. This is primarily aimed at benchmarking and record-keeping for large-scale rosetta runs or experiments. It works with both the global and local OptionsCollection to enable its use in JD3. It is analogous to the ProtocolFeatures reporter, with more options for xml-based variables.
- apply(*args, **kwargs)¶
Overloaded function.
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeStringMetric, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeStringMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeStringMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeStringMetric, pose: pyrosetta.rosetta.core.pose.Pose, prefix: str, suffix: str, override_existing_data: bool) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeStringMetric, out_label: str, pose: pyrosetta.rosetta.core.pose.Pose) -> None
apply(self: pyrosetta.rosetta.core.simple_metrics.CompositeStringMetric, out_label: str, pose: pyrosetta.rosetta.core.pose.Pose, override_existing_data: bool) -> None
- Calculate the metric and add it to the pose within the SimpleMetricData cache.
labeled as out_label.
Data is output into the final score file, but can be accessed if needed through the cache.
C++: core::simple_metrics::CompositeStringMetric::apply(const std::string &, class core::pose::Pose &, bool) const –> void
- assign(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric, : pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric) pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric ¶
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetric::operator=(const class core::simple_metrics::composite_metrics::ProtocolSettingsMetric &) –> class core::simple_metrics::composite_metrics::ProtocolSettingsMetric &
- cached_calculate(*args, **kwargs)¶
Overloaded function.
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeStringMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool) -> pyrosetta.rosetta.std.map_std_string_std_string
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeStringMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool, prefix: str) -> pyrosetta.rosetta.std.map_std_string_std_string
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeStringMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool, prefix: str, suffix: str) -> pyrosetta.rosetta.std.map_std_string_std_string
cached_calculate(self: pyrosetta.rosetta.core.simple_metrics.CompositeStringMetric, pose: pyrosetta.rosetta.core.pose.Pose, use_cache: bool, prefix: str, suffix: str, fail_on_missing_cache: bool) -> pyrosetta.rosetta.std.map_std_string_std_string
Grab the data from the pose if it exists or calculate the metric
If use_cache is true, we will attempt to pull the data from the pose. If fail_on_missing_cache is true, we will fail, otherwise, we will calculate the metric.
- This function is meant to support caching metrics, so values do not need to be calculated twice,
for example in SimpleMetricFilter/Features or code-wise where data takes a while to calculate and can be reused.
C++: core::simple_metrics::CompositeStringMetric::cached_calculate(const class core::pose::Pose &, bool, std::string, std::string, bool) const –> class std::map<std::string, std::string, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, std::string > > >
- calculate(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric, pose: pyrosetta.rosetta.core.pose.Pose) pyrosetta.rosetta.std.map_std_string_std_string ¶
Calculate the metric.
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetric::calculate(const class core::pose::Pose &) const –> class std::map<std::string, std::string, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, std::string > > >
- clone(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric) pyrosetta.rosetta.core.simple_metrics.SimpleMetric ¶
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetric::clone() const –> class std::shared_ptr<class core::simple_metrics::SimpleMetric>
- static complex_type_generator_for_simple_metric(: utility::tag::XMLSchemaDefinition) utility::tag::XMLSchemaComplexTypeGenerator ¶
C++: core::simple_metrics::SimpleMetric::complex_type_generator_for_simple_metric(class utility::tag::XMLSchemaDefinition &) –> class std::shared_ptr<class utility::tag::XMLSchemaComplexTypeGenerator>
- get_custom_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) str ¶
Output data name will be prefix+custom_type+type+suffix
C++: core::simple_metrics::SimpleMetric::get_custom_type() const –> std::string
- get_final_sm_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) str ¶
Get the final name of this metric including its simple_metric_type_ name and any set custom type.
C++: core::simple_metrics::SimpleMetric::get_final_sm_type() const –> std::string
- get_metric_names(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric) pyrosetta.rosetta.utility.vector1_std_string ¶
Get the submetric names that this Metric will calculate
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetric::get_metric_names() const –> class utility::vector1<std::string, class std::allocator<std::string > >
- metric(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric) str ¶
Name of the metric
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetric::metric() const –> std::string
- name(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric) str ¶
Name of the class
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetric::name() const –> std::string
- static name_static() str ¶
Name of the class for creator.
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetric::name_static() –> std::string
- parse_base_tag(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric, tag: utility::tag::Tag) None ¶
Parse the base class tag. Keep required interface for parse_my_tag.
C++: core::simple_metrics::SimpleMetric::parse_base_tag(class std::shared_ptr<const class utility::tag::Tag>) –> void
- parse_my_tag(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric, 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::composite_metrics::ProtocolSettingsMetric::parse_my_tag(class std::shared_ptr<const class utility::tag::Tag>, class basic::datacache::DataMap &) –> void
- parse_options(*args, **kwargs)¶
Overloaded function.
parse_options(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric, options: pyrosetta.rosetta.utility.options.OptionCollection) -> None
parse_options(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric, options: pyrosetta.rosetta.utility.options.OptionCollection, base_name_option_only: bool) -> None
parse_options(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric, options: pyrosetta.rosetta.utility.options.OptionCollection, base_name_option_only: bool, get_script_vars: bool) -> None
parse_options(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric, options: pyrosetta.rosetta.utility.options.OptionCollection, base_name_option_only: bool, get_script_vars: bool, get_user_options: bool) -> None
parse_options(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric, options: pyrosetta.rosetta.utility.options.OptionCollection, base_name_option_only: bool, get_script_vars: bool, get_user_options: bool, skip_corrections: bool) -> None
Parse an options collection into a set of string-string pairs.
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetric::parse_options(const class utility::options::OptionCollection &, bool, bool, bool, bool) –> void
- provide_citation_info(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric, : 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 simple metrics wishing to provide citation information.
C++: core::simple_metrics::SimpleMetric::provide_citation_info(class basic::citation_manager::CitationCollectionList &) const –> void
- static provide_xml_schema(xsd: utility::tag::XMLSchemaDefinition) None ¶
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetric::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) –> void
- set_custom_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric, custom_type: str) None ¶
C++: core::simple_metrics::SimpleMetric::set_custom_type(const std::string &) –> void
- set_job_tag(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric, job_tag: str) None ¶
- Set a specific job tag that will be output as job_tag for this particular run.
Used for benchmarking.
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetric::set_job_tag(const std::string &) –> void
- set_only_report_these_options(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric, select_opts: pyrosetta.rosetta.utility.vector1_std_string) None ¶
Only return these options. If not getting full namespaces, these are ONLY the base names.
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetric::set_only_report_these_options(const class utility::vector1<std::string, class std::allocator<std::string > > &) –> void
- simple_metric_type(self: pyrosetta.rosetta.core.simple_metrics.SimpleMetric) str ¶
C++: core::simple_metrics::SimpleMetric::simple_metric_type() const –> std::string
- split_script_vars(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetric, script_vars_option_string: str, options_values: pyrosetta.rosetta.std.map_std_string_std_string) None ¶
Split the script_vars string into individual options and place them into options_values map.
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetric::split_script_vars(const std::string &, class std::map<std::string, std::string, struct std::less<std::string >, class std::allocator<struct std::pair<const std::string, std::string > > > &) const –> void
- class pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetricCreator¶
Bases:
pyrosetta.rosetta.core.simple_metrics.SimpleMetricCreator
- assign(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetricCreator, : pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetricCreator) pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetricCreator ¶
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetricCreator::operator=(const class core::simple_metrics::composite_metrics::ProtocolSettingsMetricCreator &) –> class core::simple_metrics::composite_metrics::ProtocolSettingsMetricCreator &
- create_simple_metric(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetricCreator) pyrosetta.rosetta.core.simple_metrics.SimpleMetric ¶
Instantiate a particular SimpleMetric
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetricCreator::create_simple_metric() const –> class std::shared_ptr<class core::simple_metrics::SimpleMetric>
- keyname(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetricCreator) str ¶
Return a string that will be used to instantiate the particular SimpleMetric
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetricCreator::keyname() const –> std::string
- provide_xml_schema(self: pyrosetta.rosetta.core.simple_metrics.composite_metrics.ProtocolSettingsMetricCreator, : utility::tag::XMLSchemaDefinition) None ¶
C++: core::simple_metrics::composite_metrics::ProtocolSettingsMetricCreator::provide_xml_schema(class utility::tag::XMLSchemaDefinition &) const –> void