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Rosetta Protocols
2014.35
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#include <FileJobOutputter.hh>
Public Types | |
typedef protocols::jd2::JobOutputter | parent |
Public Member Functions | |
FileJobOutputter () | |
virtual | ~FileJobOutputter () |
void | set_defaults () |
virtual void | file (JobCOP job, std::string const &data) |
this function takes a string and writes it to disk (separately from Tracer output). More... | |
virtual void | final_pose (JobOP job, core::pose::Pose const &pose, std::string const &tag)=0 |
this function outputs the final result of a job. More... | |
virtual void | other_pose (JobOP job, core::pose::Pose const &pose, std::string const &tag, int copy_count=-1, bool score_only=false)=0 |
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol. More... | |
virtual bool | job_has_completed (JobCOP job)=0 |
this function is not used for output, but it belongs here since it needs to check the same output locations as the class normally writes to. This class checks wherever output goes to see if the job's expected output already exists (on disk or whatever). This is the most basic form of checkpointing. The base implementation looks for a pdb with the job's name already in existence. More... | |
virtual std::string | output_name (JobCOP job)=0 |
this is the master function for determining the unique output identifier for a job More... | |
utility::file::FileName const & | scorefile_name () |
bool | write_scorefile () const |
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JobOutputter () | |
virtual | ~JobOutputter () |
virtual void | flush () |
this function is meant to be redefined in child classes to allow for flushing of memory buffers. More... | |
virtual void | starting_pose (core::pose::Pose const &) |
optionally pass a starting (reference) pose to a JobOutputter for later comparison purposes and/or as interface for initializing evaluators More... | |
virtual std::string | filename (JobCOP) const |
void | add_evaluation (evaluation::PoseEvaluatorOP) |
void | set_evaluators (evaluation::PoseEvaluators const &) |
void | clear_evaluators () |
clear the list of evaluators More... | |
evaluation::PoseEvaluatorsCOP | evaluators () const |
void | evaluate (core::pose::Pose &pose, std::string tag, core::io::silent::SilentStruct &pss) const |
void | call_output_observers (core::pose::Pose const &pose, JobOP job) const |
call all output_observers More... | |
void | add_output_observer (JobOutputterObserverAP an_observer) |
void | remove_output_observer (JobOutputterObserverAP old_observer) |
void | set_defaults () |
clear the list of evaluators More... | |
Protected Member Functions | |
virtual void | scorefile (JobCOP job, core::pose::Pose const &pose, std::string prefix_tag="", std::string suffix_tag="", std::string scorefile="") |
this function will handle the scorefile. If you need to make it virtual do so. Latter two arguments are for redirecting the output to a different scorefile for "other_pose"s. Also adds StringReal job info to the score file. More... | |
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std::string | affixed_numbered_name (JobCOP job) |
this function provides the extended name, not just the output name. e.g output_name returns 1UBQ_0001, this returns 1UBQ_0001.pdb More... | |
Private Attributes | |
bool | write_scorefile_ |
this function will handle the scorefile for arbitrary poses. More... | |
utility::file::FileName | scorefile_name_ |
this is a middle-layer implementation of JobOutputter for file-based output. It handles scorefile output, as scorefiles are common to file-outputting methods.
protocols::jd2::FileJobOutputter::FileJobOutputter | ( | ) |
References set_defaults().
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virtual |
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virtual |
this function takes a string and writes it to disk (separately from Tracer output).
this base class implementation will try to append whatever string it gets to a file named after the job, with a user-specified suffix.
Implements protocols::jd2::JobOutputter.
References utility::io::ozstream::close(), run::jobdist_miscfile_ext, utility::io::ozstream::open_append(), option, out, output_name(), and protocols::jd2::TR.
Referenced by protocols::jd2::PDBJobOutputter::final_pose(), and protocols::jd2::PDBJobOutputter::other_pose().
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pure virtual |
this function outputs the final result of a job.
Implements protocols::jd2::JobOutputter.
Implemented in protocols::features::DatabaseJobOutputter, protocols::jd2::PDBJobOutputter, protocols::dna::PDBOutput, protocols::jd2::SilentFileJobOutputter, protocols::jd2::AtomTreeDiffJobOutputter, and protocols::jd2::ScoreOnlyJobOutputter.
this function is not used for output, but it belongs here since it needs to check the same output locations as the class normally writes to. This class checks wherever output goes to see if the job's expected output already exists (on disk or whatever). This is the most basic form of checkpointing. The base implementation looks for a pdb with the job's name already in existence.
Implements protocols::jd2::JobOutputter.
Implemented in protocols::features::DatabaseJobOutputter, protocols::jd2::SilentFileJobOutputter, protocols::jd2::PDBJobOutputter, protocols::jd2::ScoreOnlyJobOutputter, and protocols::jd2::AtomTreeDiffJobOutputter.
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pure virtual |
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol.
Implements protocols::jd2::JobOutputter.
Implemented in protocols::features::DatabaseJobOutputter, protocols::jd2::SilentFileJobOutputter, protocols::jd2::PDBJobOutputter, protocols::jd2::AtomTreeDiffJobOutputter, and protocols::jd2::ScoreOnlyJobOutputter.
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pure virtual |
this is the master function for determining the unique output identifier for a job
Implements protocols::jd2::JobOutputter.
Implemented in protocols::features::DatabaseJobOutputter, protocols::jd2::SilentFileJobOutputter, protocols::jd2::PDBJobOutputter, protocols::jd2::AtomTreeDiffJobOutputter, and protocols::jd2::ScoreOnlyJobOutputter.
Referenced by file(), and scorefile().
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protectedvirtual |
this function will handle the scorefile. If you need to make it virtual do so. Latter two arguments are for redirecting the output to a different scorefile for "other_pose"s. Also adds StringReal job info to the score file.
References core::pose::datacache::CacheableDataType::ARBITRARY_FLOAT_DATA, core::pose::datacache::CacheableDataType::ARBITRARY_STRING_DATA, core::pose::Pose::data(), end, utility::pointer::owning_ptr< T >::get(), basic::datacache::BasicDataCache::get_raw_const_ptr(), basic::datacache::BasicDataCache::has(), utility::file::FileName::name(), output_name(), protocols::jd2::ScoreMap::score_map_from_scored_pose(), scorefile_name_, protocols::jd2::TR, core::io::raw_data::ScoreFileData::write_pose(), and write_scorefile_.
Referenced by protocols::jd2::ScoreOnlyJobOutputter::final_pose(), protocols::jd2::SilentFileJobOutputter::final_pose(), protocols::jd2::PDBJobOutputter::final_pose(), protocols::jd2::ScoreOnlyJobOutputter::other_pose(), protocols::jd2::PDBJobOutputter::other_pose(), and protocols::jd2::SilentFileJobOutputter::other_pose().
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inline |
void protocols::jd2::FileJobOutputter::set_defaults | ( | ) |
References utility::file::FileName::absolute(), out::path::all, utility::file::FileName::base(), utility::file::FileName::ext(), out::file::fullatom, utility::file::FileName::name(), run::no_scorefile, option, utility::file::FileName::path(), path, out::prefix, out::path::score, out::file::score_only, out::file::scorefile, scorefile_name_, out::suffix, protocols::jd2::TR, user, utility::file::FileName::vol(), and write_scorefile_.
Referenced by FileJobOutputter().
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inline |
References write_scorefile_.
Referenced by protocols::enzdes::EnzdesJobOutputter::EnzdesJobOutputter(), and protocols::enzdes::EnzdesJobOutputter::scorefile().
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private |
Referenced by scorefile(), scorefile_name(), and set_defaults().
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private |
this function will handle the scorefile for arbitrary poses.
Referenced by scorefile(), set_defaults(), and write_scorefile().