A container class for all Simple Metrics stored in the pose. More...

#include <SimpleMetricData.hh>

Inheritance diagram for core::simple_metrics::SimpleMetricData:

Public Member Functions
	SimpleMetricData ()
	Default constructor. More...

	~SimpleMetricData () override

basic::datacache::CacheableDataOP	clone () const override

SimpleMetricDataOP	shared_from_this ()

void	clear ()
	Clear all data held by this class. More...

bool	get_value (std::string const &name, Real &value) const
	Get RealMetric data. Return success status. More...

bool	get_value (std::string const &name, std::string &value) const
	Get StringMetric data. Return success status. More...

bool	get_value (std::string const &name, std::map< std::string, Real > &value) const
	Get CompositeRealMetric data. Return success status. More...

bool	get_value (std::string const &name, std::map< std::string, std::string > &value) const
	Get CompositeStringMetric data. Return success status. More...

bool	get_value (std::string const &name, std::map< Size, Real > &value) const
	Get PerResidueRealMetric data. Return success status. More...

bool	get_value (std::string const &name, std::map< Size, std::map< chemical::AA, Real >> &value) const
	Get PerResidueProbabilitiesMetric data. Return success status. More...

bool	get_value (std::string const &name, std::map< Size, std::string > &value) const
	Get PerResidueStringMetric data. Return success status. More...

bool	get_value (std::string const &name, std::map< Size, Real > &value, pose::Pose const &pose, bool use_ref_pose) const
	Get PerResidueRealMetric data, optionally convert using refpose. Any resnum not in current is removed. More...

bool	get_value (std::string const &name, std::map< Size, std::map< chemical::AA, Real >> &value, pose::Pose const &pose, bool use_ref_pose) const
	Get PerResidueProbabilitiesMetric data, optionally convert using refpose. Any resnum not in current is removed. More...

bool	get_value (std::string const &name, std::map< Size, std::string > &value, pose::Pose const &pose, bool use_ref_pose) const
	Get PerResidueStringMetric data, optionally convert using refpose. Any resnum not in current is removed. More...

SimpleMetricStruct const &	get_all_sm_data () const
	Geet ALL RAW SimpleMetric information for IO/PyRosetta. More...

std::map< std::string, Real > const &	get_real_metric_data () const
	Get all RealMetric data. More...

std::map< std::string, std::string > const &	get_string_metric_data () const
	Get all StringMetric data. More...

std::map< std::string, std::map< std::string, Real > > const &	get_composite_real_metric_data () const
	Get all CompositeRealMetric data. More...

std::map< std::string, std::map< std::string, std::string > > const &	get_composite_string_metric_data () const
	Get all CompositeStringMetric data. More...

std::map< std::string, std::map< core::Size, Real > > const &	get_per_residue_real_metric_data () const
	Get all PerResidueRealMetric data Raw data - no ref-pose conversions. More...

std::map< std::string, std::map< core::Size, std::map< chemical::AA, Real > > > const &	get_per_residue_probabilities_metric_data () const
	Get all PerResidueProbabilitiesMetric data Raw data - no ref-pose conversions. More...

std::map< std::string, std::map< core::Size, std::string > > const &	get_per_residue_string_metric_data () const
	Get all PerResidueStringMetric data Raw data - no ref-pose conversions. More...

std::map< std::string, std::map< std::string, Real > > const &	get_per_residue_real_metric_output () const
	Get all PerResidueRealMetric output. More...

std::map< std::string, std::map< std::string, std::map< std::string, Real > > > const &	get_per_residue_probabilities_metric_output () const
	Get all PerResidueProbabilitiesMetric output. More...

std::map< std::string, std::map< std::string, std::string > > const &	get_per_residue_string_metric_output () const
	Get all PerResidueStringMetric output. More...

void	set_value (MetricKey mk, std::string const &name, Real value)
	Set RealMetric data. More...

void	set_value (MetricKey mk, std::string const &name, std::string const &value)
	Set StringMetric data. More...

void	set_value (MetricKey mk, std::string const &name, std::map< std::string, Real > const &value)
	Set CompositeRealMetric data. More...

void	set_value (MetricKey mk, std::string const &name, std::map< std::string, std::string > const &value)
	Set CompositeStringMetric data. More...

void	set_value (MetricKey mk, pose::Pose &pose, std::string const &name, std::map< Size, Real > const &value, bool outut_as_pdb_nums=true)
	Set PerResidueRealMetric data Creates a ReferencePose with the given name for the pose to maintain data integrity. More...

void	set_value (MetricKey mk, pose::Pose &pose, std::string const &name, std::map< Size, std::map< chemical::AA, Real >> const &value, bool outut_as_pdb_nums=true)
	Set PerResidueProbabilitiesMetric data Creates a ReferencePose with the given name for the pose to maintain data integrity. More...

void	set_value (MetricKey mk, pose::Pose &pose, std::string const &name, std::map< Size, std::string > const &value, bool output_as_pdb_nums=true)
	Set PerResidueStringMetric data Creates a ReferencePose with the given name for the pose to maintain data integrity Creates an ouput map of the given data. More...

void	set_all_data (MetricKey mk, SimpleMetricStruct const &data)
	Set all SimpleMetric data for IO. More...

void	show () const

Private Attributes
SimpleMetricStruct	data_

Detailed Description

A container class for all Simple Metrics stored in the pose.

Constructor & Destructor Documentation

◆ SimpleMetricData()

core::simple_metrics::SimpleMetricData::SimpleMetricData ( )

Default constructor.

◆ ~SimpleMetricData()

core::simple_metrics::SimpleMetricData::~SimpleMetricData ( )

overridedefault

Member Function Documentation

◆ clear()

void core::simple_metrics::SimpleMetricData::clear ( )

Clear all data held by this class.

◆ clone()

basic::datacache::CacheableDataOP core::simple_metrics::SimpleMetricData::clone ( ) const

override

◆ get_all_sm_data()

SimpleMetricStruct const & core::simple_metrics::SimpleMetricData::get_all_sm_data ( ) const

Geet ALL RAW SimpleMetric information for IO/PyRosetta.

References data_.

◆ get_composite_real_metric_data()

std::map< std::string, std::map< std::string, Real > > const & core::simple_metrics::SimpleMetricData::get_composite_real_metric_data ( ) const

Get all CompositeRealMetric data.

References core::simple_metrics::SimpleMetricStruct::composite_real_data_, and data_.

◆ get_composite_string_metric_data()

std::map< std::string, std::map< std::string, std::string > > const & core::simple_metrics::SimpleMetricData::get_composite_string_metric_data ( ) const

Get all CompositeStringMetric data.

References core::simple_metrics::SimpleMetricStruct::composite_string_data_, and data_.

◆ get_per_residue_probabilities_metric_data()

std::map< std::string, std::map< Size, std::map< chemical::AA, Real > > > const & core::simple_metrics::SimpleMetricData::get_per_residue_probabilities_metric_data ( ) const

Get all PerResidueProbabilitiesMetric data Raw data - no ref-pose conversions.

Get all PerResidueProbabilitiesMetric data.

References data_, and core::simple_metrics::SimpleMetricStruct::per_residue_probabilities_data_.

◆ get_per_residue_probabilities_metric_output()

std::map< std::string, std::map< std::string, std::map< std::string, Real > > > const & core::simple_metrics::SimpleMetricData::get_per_residue_probabilities_metric_output ( ) const

Get all PerResidueProbabilitiesMetric output.

Get all PerResidueProbabilitiesMetric data.

References data_, and core::simple_metrics::SimpleMetricStruct::per_residue_probabilities_output_.

◆ get_per_residue_real_metric_data()

std::map< std::string, std::map< core::Size, Real > > const & core::simple_metrics::SimpleMetricData::get_per_residue_real_metric_data ( ) const

Get all PerResidueRealMetric data Raw data - no ref-pose conversions.

Get all PerResidueRealMetric data.

References data_, and core::simple_metrics::SimpleMetricStruct::per_residue_real_data_.

◆ get_per_residue_real_metric_output()

std::map< std::string, std::map< std::string, Real > > const & core::simple_metrics::SimpleMetricData::get_per_residue_real_metric_output ( ) const

Get all PerResidueRealMetric output.

Get all PerResidueRealMetric data.

References data_, and core::simple_metrics::SimpleMetricStruct::per_residue_real_output_.

◆ get_per_residue_string_metric_data()

std::map< std::string, std::map< core::Size, std::string > > const & core::simple_metrics::SimpleMetricData::get_per_residue_string_metric_data ( ) const

Get all PerResidueStringMetric data Raw data - no ref-pose conversions.

Get all PerResidueStringMetric data.

References data_, and core::simple_metrics::SimpleMetricStruct::per_residue_string_data_.

◆ get_per_residue_string_metric_output()

std::map< std::string, std::map< std::string, std::string > > const & core::simple_metrics::SimpleMetricData::get_per_residue_string_metric_output ( ) const

Get all PerResidueStringMetric output.

Get all PerResidueStringMetric data.

References data_, and core::simple_metrics::SimpleMetricStruct::per_residue_string_output_.

◆ get_real_metric_data()

std::map< std::string, Real > const & core::simple_metrics::SimpleMetricData::get_real_metric_data ( ) const

Get all RealMetric data.

References data_, and core::simple_metrics::SimpleMetricStruct::real_data_.

◆ get_string_metric_data()

std::map< std::string, std::string > const & core::simple_metrics::SimpleMetricData::get_string_metric_data ( ) const

Get all StringMetric data.

References data_, and core::simple_metrics::SimpleMetricStruct::string_data_.

◆ get_value() [1/10]

bool core::simple_metrics::SimpleMetricData::get_value	(	std::string const &	name,
		Real &	value
	)		const

Get RealMetric data. Return success status.

Returns: Returns true if data was present.

References data_, and core::simple_metrics::SimpleMetricStruct::real_data_.

Referenced by get_value().

◆ get_value() [2/10]

bool core::simple_metrics::SimpleMetricData::get_value	(	std::string const &	name,
		std::map< Size, Real > &	value
	)		const

Get PerResidueRealMetric data. Return success status.

Returns: Returns true if data was present.

References data_, and core::simple_metrics::SimpleMetricStruct::per_residue_real_data_.

◆ get_value() [3/10]

bool core::simple_metrics::SimpleMetricData::get_value	(	std::string const &	name,
		std::map< Size, Real > &	value,
		pose::Pose const &	pose,
		bool	use_ref_pose
	)		const

Get PerResidueRealMetric data, optionally convert using refpose. Any resnum not in current is removed.

Returns: Returns true if data was present.

References core::pose::Pose::corresponding_residue_in_current(), data_, get_value(), and core::simple_metrics::SimpleMetricStruct::per_residue_real_data_.

◆ get_value() [4/10]

bool core::simple_metrics::SimpleMetricData::get_value	(	std::string const &	name,
		std::map< Size, std::map< chemical::AA, Real >> &	value
	)		const

Get PerResidueProbabilitiesMetric data. Return success status.

Returns: Returns true if data was present.

References data_, and core::simple_metrics::SimpleMetricStruct::per_residue_probabilities_data_.

◆ get_value() [5/10]

bool core::simple_metrics::SimpleMetricData::get_value	(	std::string const &	name,
		std::map< Size, std::map< chemical::AA, Real >> &	value,
		pose::Pose const &	pose,
		bool	use_ref_pose
	)		const

Get PerResidueProbabilitiesMetric data, optionally convert using refpose. Any resnum not in current is removed.

Returns: Returns true if data was present.

References core::pose::Pose::corresponding_residue_in_current(), data_, get_value(), and core::simple_metrics::SimpleMetricStruct::per_residue_probabilities_data_.

◆ get_value() [6/10]

bool core::simple_metrics::SimpleMetricData::get_value	(	std::string const &	name,
		std::map< Size, std::string > &	value
	)		const

Get PerResidueStringMetric data. Return success status.

Returns: Returns true if data was present.

References data_, and core::simple_metrics::SimpleMetricStruct::per_residue_string_data_.

◆ get_value() [7/10]

bool core::simple_metrics::SimpleMetricData::get_value	(	std::string const &	name,
		std::map< Size, std::string > &	value,
		pose::Pose const &	pose,
		bool	use_ref_pose
	)		const

Get PerResidueStringMetric data, optionally convert using refpose. Any resnum not in current is removed.

Returns: Returns true if data was present.

References core::pose::Pose::corresponding_residue_in_current(), data_, get_value(), and core::simple_metrics::SimpleMetricStruct::per_residue_string_data_.

◆ get_value() [8/10]

bool core::simple_metrics::SimpleMetricData::get_value	(	std::string const &	name,
		std::map< std::string, Real > &	value
	)		const

Get CompositeRealMetric data. Return success status.

Returns: Returns true if data was present.

References core::simple_metrics::SimpleMetricStruct::composite_real_data_, and data_.

◆ get_value() [9/10]

bool core::simple_metrics::SimpleMetricData::get_value	(	std::string const &	name,
		std::map< std::string, std::string > &	value
	)		const

Get CompositeStringMetric data. Return success status.

Returns: Returns true if data was present.

References core::simple_metrics::SimpleMetricStruct::composite_string_data_, and data_.

◆ get_value() [10/10]

bool core::simple_metrics::SimpleMetricData::get_value	(	std::string const &	name,
		std::string &	value
	)		const

Get StringMetric data. Return success status.

Returns: Returns true if data was present.

References data_, and core::simple_metrics::SimpleMetricStruct::string_data_.

◆ set_all_data()

void core::simple_metrics::SimpleMetricData::set_all_data	(	MetricKey	mk,
		SimpleMetricStruct const &	data
	)

Set all SimpleMetric data for IO.

References data_.

◆ set_value() [1/7]

void core::simple_metrics::SimpleMetricData::set_value	(	MetricKey	mk,
		pose::Pose &	pose,
		std::string const &	name,
		std::map< Size, Real > const &	value,
		bool	outut_as_pdb_nums = `true`
	)

Set PerResidueRealMetric data Creates a ReferencePose with the given name for the pose to maintain data integrity.

References data_, core::scoring::pair, core::pose::Pose::pdb_info(), core::simple_metrics::SimpleMetricStruct::per_residue_real_data_, core::simple_metrics::SimpleMetricStruct::per_residue_real_output_, core::pose::Pose::reference_pose_from_current(), core::id::to_string(), and TR().

◆ set_value() [2/7]

void core::simple_metrics::SimpleMetricData::set_value	(	MetricKey	mk,
		pose::Pose &	pose,
		std::string const &	name,
		std::map< Size, std::map< chemical::AA, Real >> const &	value,
		bool	outut_as_pdb_nums = `true`
	)

Set PerResidueProbabilitiesMetric data Creates a ReferencePose with the given name for the pose to maintain data integrity.

References data_, core::chemical::name_from_aa(), core::pose::Pose::pdb_info(), core::simple_metrics::SimpleMetricStruct::per_residue_probabilities_data_, core::simple_metrics::SimpleMetricStruct::per_residue_probabilities_output_, core::pose::Pose::reference_pose_from_current(), core::id::to_string(), and TR().

◆ set_value() [3/7]

void core::simple_metrics::SimpleMetricData::set_value	(	MetricKey	mk,
		pose::Pose &	pose,
		std::string const &	name,
		std::map< Size, std::string > const &	value,
		bool	output_as_pdb_nums = `true`
	)

Set PerResidueStringMetric data Creates a ReferencePose with the given name for the pose to maintain data integrity Creates an ouput map of the given data.

Set PerResidueStringMetric data Creates a ReferencePose with the given name for the pose to maintain data integrity.

References data_, core::scoring::pair, core::pose::Pose::pdb_info(), core::simple_metrics::SimpleMetricStruct::per_residue_string_data_, core::simple_metrics::SimpleMetricStruct::per_residue_string_output_, core::pose::Pose::reference_pose_from_current(), core::id::to_string(), and TR().