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protocols::jd3::jobs::MoverJob Class Reference

A Generic Mover(andPose)Job. Can be subclassed for derived jobs. More...

#include <MoverJob.hh>

Inheritance diagram for protocols::jd3::jobs::MoverJob:
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Public Member Functions

 MoverJob ()
 
 ~MoverJob () override
 
void pose (core::pose::PoseOP setting)
 Set the pose this job will run on. More...
 
jd3::CompletedJobOutput run () override
 Run the job on any set private variables (such as a PoseOP) Return a completed job output after this Job is done. More...
 
void set_mover (moves::MoverOP mover)
 Set the Mover this job will run. Use a MoverContainer to use multiple movers. More...
 
void add_mover (moves::MoverOP mover)
 Add a mover to a sequence mover. More...
 
void add_metric (core::simple_metrics::SimpleMetricCOP metric, std::string const &data_prefix)
 Set any metrics for this particular job. The metrics will be stored in the pose so they can eventually be output. More...
 
void add_metrics (utility::vector1< core::simple_metrics::SimpleMetricCOP > metrics, std::string const &data_prefix)
 Set any metrics for this particular job. The metrics will be stored in the pose so they can eventually be output. More...
 
core::pose::PoseOP pose ()
 Get a modifieable pose. More...
 
core::pose::PoseCOP pose () const
 Geta the const pose. More...
 
- Public Member Functions inherited from protocols::jd3::Job
 Job ()
 
 ~Job () override
 

Protected Member Functions

virtual
job_results::PoseJobResultOP 
create_job_result (core::pose::PoseOP pose)
 PoseJobResult can be derived. More...
 
virtual
job_summaries::StandardPoseJobSummaryOP 
create_job_summary (core::pose::Pose const &pose)
 StandardPoseJobSummary can be derived. More...
 
moves::MoverOP mover ()
 Get the mover for this job. More...
 

Private Attributes

moves::MoverOP mover_ = nullptr
 
core::pose::PoseOP pose_
 
std::map< std::string,
utility::vector1
< core::simple_metrics::SimpleMetricCOP > > 
metrics_
 
core::scoring::ScoreFunctionOP scorefxn_
 Used in case the pose has does not have an energies object after running the mover. This ensures that all poses are scored, and that the JobSummary has an energy of the pose. More...
 

Detailed Description

A Generic Mover(andPose)Job. Can be subclassed for derived jobs.

JobSummary is a StandardPoseJobSummary that includes the energy and a SimpleMetricDataOP for any set metrics. If you require anything else in your JobResult, derive from the PoseJobResult and then derive this class.

Constructor & Destructor Documentation

protocols::jd3::jobs::MoverJob::MoverJob ( )
protocols::jd3::jobs::MoverJob::~MoverJob ( )
override

Member Function Documentation

void protocols::jd3::jobs::MoverJob::add_metric ( core::simple_metrics::SimpleMetricCOP  metric,
std::string const &  data_prefix 
)

Set any metrics for this particular job. The metrics will be stored in the pose so they can eventually be output.

void protocols::jd3::jobs::MoverJob::add_metrics ( utility::vector1< core::simple_metrics::SimpleMetricCOP metrics,
std::string const &  data_prefix 
)

Set any metrics for this particular job. The metrics will be stored in the pose so they can eventually be output.

void protocols::jd3::jobs::MoverJob::add_mover ( moves::MoverOP  mover)

Add a mover to a sequence mover.

Overrides any single Mover set

References protocols::moves::MoverContainer::add_mover().

PoseJobResultOP protocols::jd3::jobs::MoverJob::create_job_result ( core::pose::PoseOP  pose)
protectedvirtual

PoseJobResult can be derived.

StandardPoseJobSummaryOP protocols::jd3::jobs::MoverJob::create_job_summary ( core::pose::Pose const &  pose)
protectedvirtual

StandardPoseJobSummary can be derived.

moves::MoverOP protocols::jd3::jobs::MoverJob::mover ( )
protected

Get the mover for this job.

void protocols::jd3::jobs::MoverJob::pose ( core::pose::PoseOP  setting)

Set the pose this job will run on.

core::pose::PoseOP protocols::jd3::jobs::MoverJob::pose ( )

Get a modifieable pose.

core::pose::PoseCOP protocols::jd3::jobs::MoverJob::pose ( ) const

Geta the const pose.

jd3::CompletedJobOutput protocols::jd3::jobs::MoverJob::run ( )
overridevirtual
void protocols::jd3::jobs::MoverJob::set_mover ( moves::MoverOP  mover)

Set the Mover this job will run. Use a MoverContainer to use multiple movers.

Member Data Documentation

std::map< std::string, utility::vector1< core::simple_metrics::SimpleMetricCOP > > protocols::jd3::jobs::MoverJob::metrics_
private
moves::MoverOP protocols::jd3::jobs::MoverJob::mover_ = nullptr
private
core::pose::PoseOP protocols::jd3::jobs::MoverJob::pose_
private
core::scoring::ScoreFunctionOP protocols::jd3::jobs::MoverJob::scorefxn_
private

Used in case the pose has does not have an energies object after running the mover. This ensures that all poses are scored, and that the JobSummary has an energy of the pose.


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