Rosetta
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#include <RNA_DeNovoJobOutputter.hh>
Public Types | |
typedef protocols::jd2::FileJobOutputter | parent |
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typedef protocols::jd2::JobOutputter | parent |
Public Member Functions | |
RNA_DeNovoJobOutputter () | |
~RNA_DeNovoJobOutputter () override | |
void | flush () override |
this function flushes any internal buffers - see parent class for explanation More... | |
void | final_pose (JobOP job, core::pose::Pose const &pose, std::string const &tag) override |
this function outputs the final result of a job. More... | |
void | other_pose (JobOP job, core::pose::Pose const &pose, std::string const &tag, int copy_count=-1, bool score_only=false) override |
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol. —>these go to file silent_filename+tag More... | |
bool | job_has_completed (JobCOP job) override |
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. More... | |
std::string | output_name (JobCOP job) override |
this is the master function for determining the unique output identifier for a job More... | |
std::string | filename (JobCOP) const override |
void | set_silent_file_name (utility::file::FileName const &name) |
void | set_forced_silent_struct_type (std::string const &) |
void | set_write_separate_scorefile (bool write_separate_scorefile) |
void | set_write_no_structures (bool value=true) |
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FileJobOutputter () | |
~FileJobOutputter () override | |
void | set_defaults () |
void | file (JobCOP job, std::string const &data) override |
this function takes a string and writes it to disk (separately from Tracer output). More... | |
utility::file::FileName const & | scorefile_name () |
bool | write_scorefile () const |
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JobOutputter () | |
constructor – reads cmd-line to initialize evaluators More... | |
~JobOutputter () override | |
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... | |
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 | set_defaults () |
clear the list of evaluators More... | |
Protected Member Functions | |
core::io::silent::SilentStructOP | dump_pose (utility::file::FileName const &filename, JobCOP job, core::pose::Pose const &pose, bool bWriteScoreOnly, int copy_count=-1, std::string const &suffix="") |
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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 generates the affixed, numbered name for the job as prefix + input + suffix + number (affixes from options system). This function is deliberately not virtual, this should be a common mechanism; your JobOutputter can not call it if it would like. More... | |
Private Member Functions | |
void | add_silent_struct (core::io::silent::SilentStructOP ss, utility::file::FileName const &fn) |
void | set_defaults () |
called by the constructor to set filename and options More... | |
void | read_done_jobs () |
void | write_all_structs () |
this function is called at the end of job distribution to flush the buffers More... | |
Private Attributes | |
bool | bWriteIntermediateFiles_ |
bool | bWriteIntermediateStructures_ |
bool | bWriteNoStructures_ |
toggle to switch off writing of structures More... | |
bool | write_separate_scorefile_ |
whether to write a separate scorefile that contains the scorelines from the silent file More... | |
utility::file::FileName | silent_file_ |
utility::vector1< std::string > | silent_file_tags_ |
core::Size | n_to_buffer_ |
core::Real | random_flush_frequency_ |
utility::vector1< std::pair< core::io::silent::SilentStructOP, utility::file::FileName > > | saved_structs_ |
std::string | forced_silent_struct_type_ |
override choice of silent_struct_type More... | |
this is a implementation of JobOutputter for silent-file-based output.
protocols::jd2::RNA_DeNovoJobOutputter::RNA_DeNovoJobOutputter | ( | ) |
References read_done_jobs(), and set_defaults().
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override |
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private |
References saved_structs_.
Referenced by dump_pose().
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protected |
References protocols::jd2::add_job_data_to_ss(), add_silent_struct(), protocols::jd2::current_replica(), core::pose::Pose::data(), filename(), forced_silent_struct_type_, core::io::silent::SilentStructFactory::get_silent_struct(), n_to_buffer_, output_name(), random_flush_frequency_, core::scoring::rg, saved_structs_, core::pose::datacache::CacheableDataType::SCORE_LINE_STRINGS, protocols::jd2::tr(), and write_all_structs().
Referenced by final_pose(), and other_pose().
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inlineoverridevirtual |
Reimplemented from protocols::jd2::JobOutputter.
References silent_file_.
Referenced by dump_pose(), and other_pose().
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overridevirtual |
this function outputs the final result of a job.
creating output functions/////////////////////////////////////////
Implements protocols::jd2::FileJobOutputter.
References bWriteNoStructures_, protocols::jd2::JobOutputter::call_output_observers(), dump_pose(), protocols::jd2::FileJobOutputter::scorefile(), silent_file_, and write_separate_scorefile_.
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overridevirtual |
this function flushes any internal buffers - see parent class for explanation
Reimplemented from protocols::jd2::JobOutputter.
References write_all_structs().
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overridevirtual |
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.
Implements protocols::jd2::FileJobOutputter.
References core::sequence::end, output_name(), core::scoring::pair, read_done_jobs(), saved_structs_, silent_file_tags_, and protocols::jd2::tr().
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overridevirtual |
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol. —>these go to file silent_filename+tag
Implements protocols::jd2::FileJobOutputter.
References bWriteIntermediateFiles_, protocols::jd2::JobOutputter::call_output_observers(), dump_pose(), filename(), and silent_file_.
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overridevirtual |
this is the master function for determining the unique output identifier for a job
SilentFile tags should preserve the FULL NAME such that we don't end up with duplicate tags. This will cause problems on BOINC if changed.
Implements protocols::jd2::FileJobOutputter.
Referenced by dump_pose(), and job_has_completed().
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private |
References core::io::silent::SilentFileData::read_tags_fast(), silent_file_, and silent_file_tags_.
Referenced by job_has_completed(), RNA_DeNovoJobOutputter(), and set_silent_file_name().
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private |
called by the constructor to set filename and options
References bWriteIntermediateFiles_, bWriteIntermediateStructures_, bWriteNoStructures_, forced_silent_struct_type_, protocols::wum::mpi_rank(), n_to_buffer_, protocols::hybridization::path, random_flush_frequency_, silent_file_, and protocols::jd2::tr().
Referenced by RNA_DeNovoJobOutputter().
void protocols::jd2::RNA_DeNovoJobOutputter::set_forced_silent_struct_type | ( | std::string const & | setting | ) |
References forced_silent_struct_type_.
void protocols::jd2::RNA_DeNovoJobOutputter::set_silent_file_name | ( | utility::file::FileName const & | name | ) |
References read_done_jobs(), and silent_file_.
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inline |
References bWriteIntermediateStructures_, and bWriteNoStructures_.
void protocols::jd2::RNA_DeNovoJobOutputter::set_write_separate_scorefile | ( | bool | write_separate_scorefile | ) |
References write_separate_scorefile_.
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private |
this function is called at the end of job distribution to flush the buffers
References bWriteNoStructures_, core::scoring::pair, saved_structs_, and protocols::jd2::tr().
Referenced by dump_pose(), and flush().
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private |
Referenced by other_pose(), and set_defaults().
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Referenced by set_defaults(), and set_write_no_structures().
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toggle to switch off writing of structures
Referenced by final_pose(), set_defaults(), set_write_no_structures(), and write_all_structs().
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override choice of silent_struct_type
Referenced by dump_pose(), set_defaults(), and set_forced_silent_struct_type().
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Referenced by dump_pose(), and set_defaults().
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Referenced by dump_pose(), and set_defaults().
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Referenced by add_silent_struct(), dump_pose(), job_has_completed(), and write_all_structs().
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Referenced by filename(), final_pose(), other_pose(), read_done_jobs(), set_defaults(), and set_silent_file_name().
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private |
Referenced by job_has_completed(), and read_done_jobs().
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private |
whether to write a separate scorefile that contains the scorelines from the silent file
Referenced by final_pose(), and set_write_separate_scorefile().