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

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