protocols::jd3::job_summaries::StandardPoseJobSummary Class Reference

A JobSummary that extracts the energy and SimpleMetricData from a pose. The Job object should score the pose and run any SimpleMetrics desired. More...

#include <StandardPoseJobSummary.hh>

Inheritance diagram for protocols::jd3::job_summaries::StandardPoseJobSummary:

Public Member Functions
	StandardPoseJobSummary ()
	StandardPoseJobSummary (core::pose::Pose const &pose)
	~StandardPoseJobSummary () override
void	extract_summary (core::pose::Pose const &pose)
	Data extraction. More...
core::Real	energy () const
	Data Access. More...
core::simple_metrics::SimpleMetricDataCOP	metric_data () const
	Get the SimpleMetric results. If no simple_metrics have been run, this will be a nullptr. More...
void	set_energy (core::Real energy)
	Data Overrides. More...
Public Member Functions inherited from protocols::jd3::JobSummary
	JobSummary ()
	~JobSummary () override

Private Member Functions
void	extract_energy (core::pose::Pose const &pose)
	Extract the energy from a pose. More...
void	extract_simple_metric_data (core::pose::Pose const &pose)

Private Attributes
core::Real	energy_ = 0.0
core::simple_metrics::SimpleMetricDataCOP	metric_data_ = nullptr

Detailed Description

A JobSummary that extracts the energy and SimpleMetricData from a pose. The Job object should score the pose and run any SimpleMetrics desired.

Constructor & Destructor Documentation

protocols::jd3::job_summaries::StandardPoseJobSummary::StandardPoseJobSummary

(

)

protocols::jd3::job_summaries::StandardPoseJobSummary::StandardPoseJobSummary

(

core::pose::Pose const &

pose

)

protocols::jd3::job_summaries::StandardPoseJobSummary::~StandardPoseJobSummary ( )

overridedefault

Member Function Documentation

core::Real protocols::jd3::job_summaries::StandardPoseJobSummary::energy

(

)

const

Data Access.

Get the energy stored here. If no energy has been set, the energy is 0.

void protocols::jd3::job_summaries::StandardPoseJobSummary::extract_energy ( core::pose::Pose const &  pose )

private

Extract the energy from a pose.

References core::pose::Pose::energies(), core::scoring::Energies::energies_updated(), and core::scoring::Energies::total_energy().

void protocols::jd3::job_summaries::StandardPoseJobSummary::extract_simple_metric_data ( core::pose::Pose const &  pose )

private

References core::simple_metrics::get_sm_data(), and core::simple_metrics::has_sm_data().

void protocols::jd3::job_summaries::StandardPoseJobSummary::extract_summary

(

core::pose::Pose const &

pose

)

Data extraction.

1. Extracts the energy from the Energies object
2. Extract a clone of the SimpleMetricData from the pose.

SimpleMetricDataCOP protocols::jd3::job_summaries::StandardPoseJobSummary::metric_data

(

)

const

Get the SimpleMetric results. If no simple_metrics have been run, this will be a nullptr.

void protocols::jd3::job_summaries::StandardPoseJobSummary::set_energy

(

core::Real

energy

)

Data Overrides.

Set an arbitrary energy to use for the result.

References protocols::buns::energy.

Member Data Documentation

core::Real protocols::jd3::job_summaries::StandardPoseJobSummary::energy_ = 0.0

private

core::simple_metrics::SimpleMetricDataCOP protocols::jd3::job_summaries::StandardPoseJobSummary::metric_data_ = nullptr

private

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The documentation for this class was generated from the following files:

• src/protocols/jd3/job_summaries/StandardPoseJobSummary.hh
• src/protocols/jd3/job_summaries/StandardPoseJobSummary.cc