| |
- builtins.object
-
- InnerJob
-
- InnerMultiThreadingJob
- Job
-
- MultiThreadingJob
- JobDistributor
-
- FileSystemJobDistributor
-
- ShuffleFileSystemJobDistributor
-
- BOINCJobDistributor
- MPIFileBufJobDistributor
-
- MPIMultiCommJobDistributor
- MPIWorkPartitionJobDistributor
- MPIWorkPoolJobDistributor
- MSDJobDistributor
- JobDistributorFactory
- JobInputter
-
- AtomTreeDiffJobInputter
- BatchJobInputter
- JD2ResourceManagerJobInputter
- LargeNstructJobInputter
- LazySilentFileJobInputter
- PDBJobInputter
-
- EnsembleJobInputter
- PoseInputStreamJobInputter
- ScreeningJobInputter
- SilentFileJobInputter
- JobInputterCreator
-
- AtomTreeDiffJobInputterCreator
- EnsembleJobInputterCreator
- JD2ResourceManagerJobInputterCreator
- LargeNstructJobInputterCreator
- LazySilentFileJobInputterCreator
- PDBJobInputterCreator
- PoseInputStreamJobInputterCreator
- ScreeningJobInputterCreator
- SilentFileJobInputterCreator
- JobOutputter
-
- FileJobOutputter
-
- AtomTreeDiffJobOutputter
- PDBJobOutputter
- ScoreOnlyJobOutputter
- SilentFileJobOutputter
- NoOutputJobOutputter
- JobOutputterCreator
-
- AtomTreeDiffJobOutputterCreator
- NoOutputJobOutputterCreator
- PDBJobOutputterCreator
- ScoreOnlyJobOutputterCreator
- SilentFileJobOutputterCreator
- JobOutputterObserver
- JobsContainer
- MpiFileBuffer
-
- DebugOut_MpiFileBuffer
- WriteOut_MpiFileBuffer
- Parser
- ScoreMap
- SingleFileBuffer
-
- WriteFileSFB
- rosetta.basic.resource_manager.LazyResourceManager(rosetta.basic.resource_manager.ResourceManager)
-
- JD2ResourceManager
- rosetta.basic.resource_manager.ResourceManagerCreator(builtins.object)
-
- JD2ResourceManagerCreator
- rosetta.std.unary_function_std_string_bool_t(builtins.object)
-
- CompareTags
- rosetta.utility.SingletonBase_protocols_jd2_JobInputterFactory_t(builtins.object)
-
- JobInputterFactory
- rosetta.utility.SingletonBase_protocols_jd2_JobOutputterFactory_t(builtins.object)
-
- JobOutputterFactory
class AtomTreeDiffJobInputter(JobInputter) |
|
This is the simplest implementation of JobInputter, which reads from -s/-l and AtomTree files. |
|
- Method resolution order:
- AtomTreeDiffJobInputter
- JobInputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- all_ref_poses(...) from builtins.PyCapsule
- all_ref_poses(rosetta.protocols.jd2.AtomTreeDiffJobInputter) -> rosetta.utility.vector1_std_shared_ptr_core_pose_Pose_t
Utility function to allow mutatable (!) access to the reference
poses of the undelying AtomTreeDiff object. Use with caution.
This exists to allow setup on stored reference poses for properties that
don't get saved/restored in PDB format, like covalent constraints for enzyme design.
- fill_jobs(...) from builtins.PyCapsule
- fill_jobs(self : rosetta.protocols.jd2.AtomTreeDiffJobInputter, jobs : rosetta.protocols.jd2.JobsContainer) -> NoneType
this function determines what jobs exist from -in::file::silent and
-in::file::tags.
- input_source(...) from builtins.PyCapsule
- input_source(rosetta.protocols.jd2.AtomTreeDiffJobInputter) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
Return the type of input source that the AtomTreeDiffJobInputter is currently
using.
Always ATOM_TREE_FILE.
- pose_from_job(...) from builtins.PyCapsule
- pose_from_job(self : rosetta.protocols.jd2.AtomTreeDiffJobInputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
this function is responsible for filling the pose reference with
the pose indicated by the job. The Job object (within its InnerJob)
contains a PoseCOP. This function needs to either fill the pose
reference from the InnerJob or, on first demand of a pose from that
InnerJob, instantiate the pose, hand off a COP to the InnerJob, and fill
the reference. This implementation uses pose_from_pdb
Methods inherited from JobInputter:
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.JobInputter, : rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self const owning pointers.
2. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self owning pointers.
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_const_protocols_jd2_JobInputter_t
Get self const weak pointers.
2. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_protocols_jd2_JobInputter_t
Get self weak pointers.
- job_inputter_input_source_to_string(...) from builtins.PyCapsule
- job_inputter_input_source_to_string(source : rosetta.protocols.jd2.JobInputterInputSource.Enum) -> str
call this with input_source() to get the input source of a
particular job inputter
- update_jobs_list(...) from builtins.PyCapsule
- update_jobs_list(self : rosetta.protocols.jd2.JobInputter, jobs : protocols::jd2::JobsContainer) -> NoneType
This function is only called by certain JobInputters to update the jobs list after it has already been created.
An example case would be the LargeNstructJobInputter, which uses this function to load additional jobs after the first N have started to come back.
- updates_jobs_list(...) from builtins.PyCapsule
- updates_jobs_list(rosetta.protocols.jd2.JobInputter) -> bool
Does this type of JobInputter update the jobs list?
False by default. Override this function in derived classes to make it true.
|
class AtomTreeDiffJobOutputter(FileJobOutputter) |
|
this is a middle-layer implementation of JobOutputter for file-based output. It handles scorefile output, as scorefiles are common to file-outputting methods. |
|
- Method resolution order:
- AtomTreeDiffJobOutputter
- FileJobOutputter
- JobOutputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- final_pose(...) from builtins.PyCapsule
- final_pose(self : rosetta.protocols.jd2.AtomTreeDiffJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str) -> NoneType
this function outputs the final result of a job.
- job_has_completed(...) from builtins.PyCapsule
- job_has_completed(self : rosetta.protocols.jd2.AtomTreeDiffJobOutputter, job : rosetta.protocols.jd2.Job) -> bool
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.
- other_pose(...) from builtins.PyCapsule
- other_pose(*args, **kwargs)
Overloaded function.
1. other_pose(self : rosetta.protocols.jd2.AtomTreeDiffJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str) -> NoneType
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol.
2. other_pose(self : rosetta.protocols.jd2.AtomTreeDiffJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str, copy_count : int) -> NoneType
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol.
3. other_pose(self : rosetta.protocols.jd2.AtomTreeDiffJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str, copy_count : int, score_only : bool) -> NoneType
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol.
- output_name(...) from builtins.PyCapsule
- output_name(self : rosetta.protocols.jd2.AtomTreeDiffJobOutputter, job : rosetta.protocols.jd2.Job) -> str
this is the master function for determining the unique output identifier for a job
- set_precision(...) from builtins.PyCapsule
- set_precision(self : rosetta.protocols.jd2.AtomTreeDiffJobOutputter, bb_precision : int, sc_precision : int, bondlen_precision : int) -> NoneType
what precision should the atom_tree_diff be ouput at?
- use_input_for_ref(...) from builtins.PyCapsule
- use_input_for_ref(*args, **kwargs)
Overloaded function.
1. use_input_for_ref(rosetta.protocols.jd2.AtomTreeDiffJobOutputter) -> NoneType
use input as reference pose?
2. use_input_for_ref(self : rosetta.protocols.jd2.AtomTreeDiffJobOutputter, use_input : bool) -> NoneType
use input as reference pose?
Methods inherited from FileJobOutputter:
- file(...) from builtins.PyCapsule
- file(self : rosetta.protocols.jd2.FileJobOutputter, job : rosetta.protocols.jd2.Job, data : str) -> NoneType
this function takes a string and writes it to disk (separately from Tracer output).
- scorefile_name(...) from builtins.PyCapsule
- scorefile_name(rosetta.protocols.jd2.FileJobOutputter) -> rosetta.utility.file.FileName
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.jd2.FileJobOutputter) -> NoneType
- write_scorefile(...) from builtins.PyCapsule
- write_scorefile(rosetta.protocols.jd2.FileJobOutputter) -> bool
Methods inherited from JobOutputter:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
////////////////////////////// evaluator interface ////////////////////////////////////////////
- call_output_observers(...) from builtins.PyCapsule
- call_output_observers(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
call all output_observers
- clear_evaluators(...) from builtins.PyCapsule
- clear_evaluators(rosetta.protocols.jd2.JobOutputter) -> NoneType
- evaluate(...) from builtins.PyCapsule
- evaluate(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluators(...) from builtins.PyCapsule
- evaluators(rosetta.protocols.jd2.JobOutputter) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- filename(...) from builtins.PyCapsule
- filename(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.jd2.Job) -> str
- flush(...) from builtins.PyCapsule
- flush(rosetta.protocols.jd2.JobOutputter) -> NoneType
this function is meant to be redefined in child classes to allow for flushing of memory buffers.
Here's the long version: The SilentFileJobOutputter wanted to buffer output, but needed to guaruntee that
the output would be flushed at end of runtime. The original implementation was to A) bend over backward to ensure
that the destructor was run (JobOutputter lives inside static JobDistributor, which was previously not destructed
because it's static) and B) flush the buffers in the destructor. This caused a problem because the buffer-flushing
tried to use the Tracers, which had already been destructed...boom crash.
New solution: re-forbid use of destructors within the static JobDistributor system, and create a flush
function to force this stuff out. So here it is:
- set_evaluators(...) from builtins.PyCapsule
- set_evaluators(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- starting_pose(...) from builtins.PyCapsule
- starting_pose(self : rosetta.protocols.jd2.JobOutputter, : rosetta.core.pose.Pose) -> NoneType
optionally pass a starting (reference) pose to a JobOutputter for later comparison
purposes and/or as interface for initializing evaluators
|
class BOINCJobDistributor(ShuffleFileSystemJobDistributor) |
| |
- Method resolution order:
- BOINCJobDistributor
- ShuffleFileSystemJobDistributor
- FileSystemJobDistributor
- JobDistributor
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle, rosetta.protocols.jd2.BOINCJobDistributor) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.BOINCJobDistributor, : rosetta.protocols.jd2.BOINCJobDistributor) -> rosetta.protocols.jd2.BOINCJobDistributor
- checkpoint_clear(...) from builtins.PyCapsule
- checkpoint_clear(rosetta.protocols.jd2.BOINCJobDistributor) -> NoneType
- checkpoint_read(...) from builtins.PyCapsule
- checkpoint_read(rosetta.protocols.jd2.BOINCJobDistributor) -> NoneType
- checkpoint_write(...) from builtins.PyCapsule
- checkpoint_write(rosetta.protocols.jd2.BOINCJobDistributor) -> NoneType
- get_new_job_id(...) from builtins.PyCapsule
- get_new_job_id(rosetta.protocols.jd2.BOINCJobDistributor) -> int
- go(...) from builtins.PyCapsule
- go(self : rosetta.protocols.jd2.BOINCJobDistributor, mover : rosetta.protocols.moves.Mover) -> NoneType
Methods inherited from ShuffleFileSystemJobDistributor:
- mark_current_job_id_for_repetition(...) from builtins.PyCapsule
- mark_current_job_id_for_repetition(rosetta.protocols.jd2.ShuffleFileSystemJobDistributor) -> NoneType
- next_random_job(...) from builtins.PyCapsule
- next_random_job(rosetta.protocols.jd2.ShuffleFileSystemJobDistributor) -> int
Methods inherited from FileSystemJobDistributor:
- current_job_finished(...) from builtins.PyCapsule
- current_job_finished(rosetta.protocols.jd2.FileSystemJobDistributor) -> NoneType
- remove_bad_inputs_from_job_list(...) from builtins.PyCapsule
- remove_bad_inputs_from_job_list(rosetta.protocols.jd2.FileSystemJobDistributor) -> NoneType
- restart(...) from builtins.PyCapsule
- restart(rosetta.protocols.jd2.FileSystemJobDistributor) -> NoneType
Methods inherited from JobDistributor:
- add_batch(...) from builtins.PyCapsule
- add_batch(*args, **kwargs)
Overloaded function.
1. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str) -> NoneType
add a new batch ( name will be interpreted as flag_file )
2. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str, id : int) -> NoneType
add a new batch ( name will be interpreted as flag_file )
- current_batch_id(...) from builtins.PyCapsule
- current_batch_id(rosetta.protocols.jd2.JobDistributor) -> int
what is the current batch number ? --- refers to position in batches_
- current_job(...) from builtins.PyCapsule
- current_job(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.Job
Movers may ask their controlling job distributor for information about the current job.
They may also write information to this job for later output, though this use is now discouraged
as the addition of the MultiplePoseMover now means that a single job may include several
separate trajectories.
- current_job_id(...) from builtins.PyCapsule
- current_job_id(rosetta.protocols.jd2.JobDistributor) -> int
integer access - which job are we on?
- current_output_name(...) from builtins.PyCapsule
- current_output_name(rosetta.protocols.jd2.JobDistributor) -> str
Movers may ask their controlling job distributor for the output name as defined by the Job and JobOutputter.
- get_current_batch(...) from builtins.PyCapsule
- get_current_batch(rosetta.protocols.jd2.JobDistributor) -> str
what is the current batch ? --- name refers to the flag-file used for this batch
- get_instance(...) from builtins.PyCapsule
- get_instance() -> rosetta.protocols.jd2.JobDistributor
- job_inputter(...) from builtins.PyCapsule
- job_inputter(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputter
JobInputter access
- job_inputter_input_source(...) from builtins.PyCapsule
- job_inputter_input_source(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
The input source for the current JobInputter.
- job_outputter(...) from builtins.PyCapsule
- job_outputter(rosetta.protocols.jd2.JobDistributor) -> protocols::jd2::JobOutputter
Movers (or derived classes) may ask for the JobOutputter
- mpi_finalize(...) from builtins.PyCapsule
- mpi_finalize(self : rosetta.protocols.jd2.JobDistributor, finalize : bool) -> NoneType
should the go() function call MPI_finalize()? It probably should, this is true by default.
- set_job_inputter(...) from builtins.PyCapsule
- set_job_inputter(self : rosetta.protocols.jd2.JobDistributor, new_job_inputter : rosetta.protocols.jd2.JobInputter) -> NoneType
Set the JobInputter and reset the Job list -- this is not something you want to do
after go() has been called, but before it has returned.
- set_job_outputter(...) from builtins.PyCapsule
- set_job_outputter(self : rosetta.protocols.jd2.JobDistributor, new_job_outputter : protocols::jd2::JobOutputter) -> NoneType
Movers (or derived classes) may ask for the JobOutputter
- total_nr_jobs(...) from builtins.PyCapsule
- total_nr_jobs(rosetta.protocols.jd2.JobDistributor) -> int
|
class BatchJobInputter(JobInputter) |
|
This is the simplest implementation of JobInputter, which reads from -s/-l and Batch files. |
|
- Method resolution order:
- BatchJobInputter
- JobInputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, batch : str) -> NoneType
2. __init__(handle, rosetta.protocols.jd2.BatchJobInputter) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- fill_jobs(...) from builtins.PyCapsule
- fill_jobs(self : rosetta.protocols.jd2.BatchJobInputter, jobs : rosetta.protocols.jd2.JobsContainer) -> NoneType
this function determines what jobs exist from -in::file::silent and
-in::file::tags.
- input_source(...) from builtins.PyCapsule
- input_source(rosetta.protocols.jd2.BatchJobInputter) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
Return the type of input source that the BatchJobInputter is currently
using.
The input source for the current batch.
- pose_from_job(...) from builtins.PyCapsule
- pose_from_job(self : rosetta.protocols.jd2.BatchJobInputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
this function is responsible for filling the pose reference with
the pose indicated by the job. The Job object (within its InnerJob)
contains a PoseCOP. This function needs to either fill the pose
reference from the InnerJob or, on first demand of a pose from that
InnerJob, instantiate the pose, hand off a COP to the InnerJob, and fill
the reference. This implementation uses pose_from_pdb
Methods inherited from JobInputter:
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.JobInputter, : rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self const owning pointers.
2. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self owning pointers.
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_const_protocols_jd2_JobInputter_t
Get self const weak pointers.
2. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_protocols_jd2_JobInputter_t
Get self weak pointers.
- job_inputter_input_source_to_string(...) from builtins.PyCapsule
- job_inputter_input_source_to_string(source : rosetta.protocols.jd2.JobInputterInputSource.Enum) -> str
call this with input_source() to get the input source of a
particular job inputter
- update_jobs_list(...) from builtins.PyCapsule
- update_jobs_list(self : rosetta.protocols.jd2.JobInputter, jobs : protocols::jd2::JobsContainer) -> NoneType
This function is only called by certain JobInputters to update the jobs list after it has already been created.
An example case would be the LargeNstructJobInputter, which uses this function to load additional jobs after the first N have started to come back.
- updates_jobs_list(...) from builtins.PyCapsule
- updates_jobs_list(rosetta.protocols.jd2.JobInputter) -> bool
Does this type of JobInputter update the jobs list?
False by default. Override this function in derived classes to make it true.
|
class EnsembleJobInputter(PDBJobInputter) |
|
A Job Inputter for distributing a job based on a set of input structures that make up an ensemble
Two modes. Seed Ensemble and Grid Ensemble.
Seed Ensemble
=============
Randomly choose the starting files using the list of structures given by -s and -l
-jd2:seed_ensemble_weights (RealVector)
- Will give weights to the input PDBs and trigger seed_ensemble mode and the JI. We then use the weighted sampler to choose the input pdb for
each nstruct. The weights could be the size of the cluster, the energy, that you like some structure better, etc. Must match number of inputs.
-jd2:seed_ensemble_weight_file (File)
- A file specifying weights to use for each input structure. Enables seed_ensemble mode and the JI. Two columns. basename with extension (or
relative path or full path), weight. Any not given in file will be set to 0 by default. Can give a line that is [ALL weight] to set all input
pdbs to a given weight. Used for example, to upweight a specific structure:
Example:
#name weight
ALL 1
awesome_model.pdb 3
-jd2:seed_ensemble (Bool)
- Enable seed ensemble mode, but simply randomly choose the input pdb for each nstruct. For seed ensemble mode, the number of input pdbs can
be larger than nstruct.
Grid Ensemble
=============
Use the input files given in -s and -l and nstruct to cover a grid.
-in:jd2:grid_ensemble (Bool)
- Will enable the basic component of the JI. Here, instead of sampling nstruct for every input pdb, we only sample nstruct no matter the number
of input PDBs (with nstruct split as evenly as possible over the input PDBs). |
|
- Method resolution order:
- EnsembleJobInputter
- PDBJobInputter
- JobInputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.jd2.EnsembleJobInputter) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.EnsembleJobInputter, : rosetta.protocols.jd2.EnsembleJobInputter) -> rosetta.protocols.jd2.EnsembleJobInputter
- fill_jobs(...) from builtins.PyCapsule
- fill_jobs(self : rosetta.protocols.jd2.EnsembleJobInputter, jobs : rosetta.protocols.jd2.JobsContainer) -> NoneType
this function determines what jobs exist from -s/-l
Methods inherited from PDBJobInputter:
- input_source(...) from builtins.PyCapsule
- input_source(rosetta.protocols.jd2.PDBJobInputter) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
Return the type of input source that the PDBJobInputter is currently
using.
Always PDB_FILE.
- pose_from_job(...) from builtins.PyCapsule
- pose_from_job(self : rosetta.protocols.jd2.PDBJobInputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
this function is responsible for filling the pose reference with the pose indicated by the job. The Job object (within its InnerJob) contains a PoseCOP. This function needs to either fill the pose reference from the InnerJob or, on first demand of a pose from that InnerJob, instantiate the pose, hand off a COP to the InnerJob, and fill the reference. This implementation uses pose_from_pdb
Methods inherited from JobInputter:
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self const owning pointers.
2. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self owning pointers.
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_const_protocols_jd2_JobInputter_t
Get self const weak pointers.
2. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_protocols_jd2_JobInputter_t
Get self weak pointers.
- job_inputter_input_source_to_string(...) from builtins.PyCapsule
- job_inputter_input_source_to_string(source : rosetta.protocols.jd2.JobInputterInputSource.Enum) -> str
call this with input_source() to get the input source of a
particular job inputter
- update_jobs_list(...) from builtins.PyCapsule
- update_jobs_list(self : rosetta.protocols.jd2.JobInputter, jobs : protocols::jd2::JobsContainer) -> NoneType
This function is only called by certain JobInputters to update the jobs list after it has already been created.
An example case would be the LargeNstructJobInputter, which uses this function to load additional jobs after the first N have started to come back.
- updates_jobs_list(...) from builtins.PyCapsule
- updates_jobs_list(rosetta.protocols.jd2.JobInputter) -> bool
Does this type of JobInputter update the jobs list?
False by default. Override this function in derived classes to make it true.
|
class FileJobOutputter(JobOutputter) |
|
this is a middle-layer implementation of JobOutputter for file-based output. It handles scorefile output, as scorefiles are common to file-outputting methods. |
|
- Method resolution order:
- FileJobOutputter
- JobOutputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(rosetta.protocols.jd2.FileJobOutputter) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- file(...) from builtins.PyCapsule
- file(self : rosetta.protocols.jd2.FileJobOutputter, job : rosetta.protocols.jd2.Job, data : str) -> NoneType
this function takes a string and writes it to disk (separately from Tracer output).
- final_pose(...) from builtins.PyCapsule
- final_pose(self : rosetta.protocols.jd2.FileJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str) -> NoneType
this function outputs the final result of a job.
- job_has_completed(...) from builtins.PyCapsule
- job_has_completed(self : rosetta.protocols.jd2.FileJobOutputter, job : rosetta.protocols.jd2.Job) -> bool
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.
- other_pose(...) from builtins.PyCapsule
- other_pose(*args, **kwargs)
Overloaded function.
1. other_pose(self : rosetta.protocols.jd2.FileJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str) -> NoneType
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol.
2. other_pose(self : rosetta.protocols.jd2.FileJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str, copy_count : int) -> NoneType
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol.
3. other_pose(self : rosetta.protocols.jd2.FileJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str, copy_count : int, score_only : bool) -> NoneType
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol.
- output_name(...) from builtins.PyCapsule
- output_name(self : rosetta.protocols.jd2.FileJobOutputter, job : rosetta.protocols.jd2.Job) -> str
this is the master function for determining the unique output identifier for a job
- scorefile_name(...) from builtins.PyCapsule
- scorefile_name(rosetta.protocols.jd2.FileJobOutputter) -> rosetta.utility.file.FileName
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.jd2.FileJobOutputter) -> NoneType
- write_scorefile(...) from builtins.PyCapsule
- write_scorefile(rosetta.protocols.jd2.FileJobOutputter) -> bool
Methods inherited from JobOutputter:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
////////////////////////////// evaluator interface ////////////////////////////////////////////
- call_output_observers(...) from builtins.PyCapsule
- call_output_observers(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
call all output_observers
- clear_evaluators(...) from builtins.PyCapsule
- clear_evaluators(rosetta.protocols.jd2.JobOutputter) -> NoneType
- evaluate(...) from builtins.PyCapsule
- evaluate(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluators(...) from builtins.PyCapsule
- evaluators(rosetta.protocols.jd2.JobOutputter) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- filename(...) from builtins.PyCapsule
- filename(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.jd2.Job) -> str
- flush(...) from builtins.PyCapsule
- flush(rosetta.protocols.jd2.JobOutputter) -> NoneType
this function is meant to be redefined in child classes to allow for flushing of memory buffers.
Here's the long version: The SilentFileJobOutputter wanted to buffer output, but needed to guaruntee that
the output would be flushed at end of runtime. The original implementation was to A) bend over backward to ensure
that the destructor was run (JobOutputter lives inside static JobDistributor, which was previously not destructed
because it's static) and B) flush the buffers in the destructor. This caused a problem because the buffer-flushing
tried to use the Tracers, which had already been destructed...boom crash.
New solution: re-forbid use of destructors within the static JobDistributor system, and create a flush
function to force this stuff out. So here it is:
- set_evaluators(...) from builtins.PyCapsule
- set_evaluators(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- starting_pose(...) from builtins.PyCapsule
- starting_pose(self : rosetta.protocols.jd2.JobOutputter, : rosetta.core.pose.Pose) -> NoneType
optionally pass a starting (reference) pose to a JobOutputter for later comparison
purposes and/or as interface for initializing evaluators
|
class FileSystemJobDistributor(JobDistributor) |
| |
- Method resolution order:
- FileSystemJobDistributor
- JobDistributor
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle, rosetta.protocols.jd2.FileSystemJobDistributor) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.FileSystemJobDistributor, : rosetta.protocols.jd2.FileSystemJobDistributor) -> rosetta.protocols.jd2.FileSystemJobDistributor
- current_job_finished(...) from builtins.PyCapsule
- current_job_finished(rosetta.protocols.jd2.FileSystemJobDistributor) -> NoneType
- get_new_job_id(...) from builtins.PyCapsule
- get_new_job_id(rosetta.protocols.jd2.FileSystemJobDistributor) -> int
- go(...) from builtins.PyCapsule
- go(self : rosetta.protocols.jd2.FileSystemJobDistributor, mover : rosetta.protocols.moves.Mover) -> NoneType
- mark_current_job_id_for_repetition(...) from builtins.PyCapsule
- mark_current_job_id_for_repetition(rosetta.protocols.jd2.FileSystemJobDistributor) -> NoneType
- remove_bad_inputs_from_job_list(...) from builtins.PyCapsule
- remove_bad_inputs_from_job_list(rosetta.protocols.jd2.FileSystemJobDistributor) -> NoneType
- restart(...) from builtins.PyCapsule
- restart(rosetta.protocols.jd2.FileSystemJobDistributor) -> NoneType
Methods inherited from JobDistributor:
- add_batch(...) from builtins.PyCapsule
- add_batch(*args, **kwargs)
Overloaded function.
1. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str) -> NoneType
add a new batch ( name will be interpreted as flag_file )
2. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str, id : int) -> NoneType
add a new batch ( name will be interpreted as flag_file )
- current_batch_id(...) from builtins.PyCapsule
- current_batch_id(rosetta.protocols.jd2.JobDistributor) -> int
what is the current batch number ? --- refers to position in batches_
- current_job(...) from builtins.PyCapsule
- current_job(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.Job
Movers may ask their controlling job distributor for information about the current job.
They may also write information to this job for later output, though this use is now discouraged
as the addition of the MultiplePoseMover now means that a single job may include several
separate trajectories.
- current_job_id(...) from builtins.PyCapsule
- current_job_id(rosetta.protocols.jd2.JobDistributor) -> int
integer access - which job are we on?
- current_output_name(...) from builtins.PyCapsule
- current_output_name(rosetta.protocols.jd2.JobDistributor) -> str
Movers may ask their controlling job distributor for the output name as defined by the Job and JobOutputter.
- get_current_batch(...) from builtins.PyCapsule
- get_current_batch(rosetta.protocols.jd2.JobDistributor) -> str
what is the current batch ? --- name refers to the flag-file used for this batch
- get_instance(...) from builtins.PyCapsule
- get_instance() -> rosetta.protocols.jd2.JobDistributor
- job_inputter(...) from builtins.PyCapsule
- job_inputter(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputter
JobInputter access
- job_inputter_input_source(...) from builtins.PyCapsule
- job_inputter_input_source(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
The input source for the current JobInputter.
- job_outputter(...) from builtins.PyCapsule
- job_outputter(rosetta.protocols.jd2.JobDistributor) -> protocols::jd2::JobOutputter
Movers (or derived classes) may ask for the JobOutputter
- mpi_finalize(...) from builtins.PyCapsule
- mpi_finalize(self : rosetta.protocols.jd2.JobDistributor, finalize : bool) -> NoneType
should the go() function call MPI_finalize()? It probably should, this is true by default.
- set_job_inputter(...) from builtins.PyCapsule
- set_job_inputter(self : rosetta.protocols.jd2.JobDistributor, new_job_inputter : rosetta.protocols.jd2.JobInputter) -> NoneType
Set the JobInputter and reset the Job list -- this is not something you want to do
after go() has been called, but before it has returned.
- set_job_outputter(...) from builtins.PyCapsule
- set_job_outputter(self : rosetta.protocols.jd2.JobDistributor, new_job_outputter : protocols::jd2::JobOutputter) -> NoneType
Movers (or derived classes) may ask for the JobOutputter
- total_nr_jobs(...) from builtins.PyCapsule
- total_nr_jobs(rosetta.protocols.jd2.JobDistributor) -> int
|
class InnerJob(builtins.object) |
|
The InnerJob class is responsible for knowing input requirements
for a given job - how many nstruct, and what the input is. InnerJobs are
relatively heavy; there is no need to duplicate a series of InnerJobs for
each index into nstruct. The companion Job class handles the nstruct index
and has a pointer to an InnerJob (which is shared across many Jobs).
InnerJob also holds a PoseOP to maintain the unmodified input pose for that
job. |
|
Methods defined here:
- __eq__(...) from builtins.PyCapsule
- __eq__(self : rosetta.protocols.jd2.InnerJob, other : rosetta.protocols.jd2.InnerJob) -> bool
Mutual comparison of this inner job to the other inner job
so that if either one thinks it's not the same as the other, then
it returns false. Invokes the same() function on both this and other
Note: only compare if the pointers to the poses are to the
same location
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, input_tag : str, nstruct_max : int) -> NoneType
2. __init__(self : handle, : rosetta.core.pose.Pose, input_tag : str, nstruct_max : int) -> NoneType
3. __init__(handle, rosetta.protocols.jd2.InnerJob) -> NoneType
- __ne__(...) from builtins.PyCapsule
- __ne__(self : rosetta.protocols.jd2.InnerJob, other : rosetta.protocols.jd2.InnerJob) -> bool
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.protocols.jd2.InnerJob) -> str
- bad(...) from builtins.PyCapsule
- bad(rosetta.protocols.jd2.InnerJob) -> bool
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.jd2.InnerJob) -> rosetta.protocols.jd2.InnerJob
Return an owning pointer to a copy of this object.
- get_pose(...) from builtins.PyCapsule
- get_pose(rosetta.protocols.jd2.InnerJob) -> rosetta.core.pose.Pose
return a COP to the input pose
DO NOT USE OUTSIDE OF JD2 NAMESPACE
- input_tag(...) from builtins.PyCapsule
- input_tag(rosetta.protocols.jd2.InnerJob) -> str
return the input tag (a string of space separated PDB filenames)
- nstruct_max(...) from builtins.PyCapsule
- nstruct_max(rosetta.protocols.jd2.InnerJob) -> int
- same(...) from builtins.PyCapsule
- same(self : rosetta.protocols.jd2.InnerJob, other : rosetta.protocols.jd2.InnerJob) -> bool
returns true if this is the same as other;
does not call other.same()
- set_bad(...) from builtins.PyCapsule
- set_bad(*args, **kwargs)
Overloaded function.
1. set_bad(rosetta.protocols.jd2.InnerJob) -> NoneType
2. set_bad(self : rosetta.protocols.jd2.InnerJob, value : bool) -> NoneType
|
class InnerMultiThreadingJob(InnerJob) |
| |
- Method resolution order:
- InnerMultiThreadingJob
- InnerJob
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, : rosetta.core.pose.Pose, input_tag : str, nstruct_max : int, alns : rosetta.utility.vector1_core_sequence_SequenceAlignment, templates : rosetta.utility.vector1_core_pose_Pose) -> NoneType
2. __init__(handle, rosetta.protocols.jd2.InnerMultiThreadingJob) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- alignments(...) from builtins.PyCapsule
- alignments(rosetta.protocols.jd2.InnerMultiThreadingJob) -> rosetta.utility.vector1_core_sequence_SequenceAlignment
- template_poses(...) from builtins.PyCapsule
- template_poses(rosetta.protocols.jd2.InnerMultiThreadingJob) -> rosetta.utility.vector1_core_pose_Pose
Methods inherited from InnerJob:
- __eq__(...) from builtins.PyCapsule
- __eq__(self : rosetta.protocols.jd2.InnerJob, other : rosetta.protocols.jd2.InnerJob) -> bool
Mutual comparison of this inner job to the other inner job
so that if either one thinks it's not the same as the other, then
it returns false. Invokes the same() function on both this and other
Note: only compare if the pointers to the poses are to the
same location
- __ne__(...) from builtins.PyCapsule
- __ne__(self : rosetta.protocols.jd2.InnerJob, other : rosetta.protocols.jd2.InnerJob) -> bool
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.protocols.jd2.InnerJob) -> str
- bad(...) from builtins.PyCapsule
- bad(rosetta.protocols.jd2.InnerJob) -> bool
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.jd2.InnerJob) -> rosetta.protocols.jd2.InnerJob
Return an owning pointer to a copy of this object.
- get_pose(...) from builtins.PyCapsule
- get_pose(rosetta.protocols.jd2.InnerJob) -> rosetta.core.pose.Pose
return a COP to the input pose
DO NOT USE OUTSIDE OF JD2 NAMESPACE
- input_tag(...) from builtins.PyCapsule
- input_tag(rosetta.protocols.jd2.InnerJob) -> str
return the input tag (a string of space separated PDB filenames)
- nstruct_max(...) from builtins.PyCapsule
- nstruct_max(rosetta.protocols.jd2.InnerJob) -> int
- same(...) from builtins.PyCapsule
- same(self : rosetta.protocols.jd2.InnerJob, other : rosetta.protocols.jd2.InnerJob) -> bool
returns true if this is the same as other;
does not call other.same()
- set_bad(...) from builtins.PyCapsule
- set_bad(*args, **kwargs)
Overloaded function.
1. set_bad(rosetta.protocols.jd2.InnerJob) -> NoneType
2. set_bad(self : rosetta.protocols.jd2.InnerJob, value : bool) -> NoneType
|
class JD2ResourceManager(rosetta.basic.resource_manager.LazyResourceManager) |
|
The %JD2ResourceManager is the ResourceManager that should be used when
running protocols under the jd2 JobDistributor.
The purpose of the ResourceManager is to disentangle the process of
feeding protocols with Resources they need from the job distribution system in
which they run. When protocols request a resource under the ResourceManager,
they do so without knowing what kind of ResourceManager they are communicating
with. Protocols that are designed to run under JD2 could conceivably be run
under any other job management scheme (e.g. a complicated MPI protocol). It's
the job of the %JD2ResourceManager to determine the right resource to deliver
to a protocol, and the context that the %JD2ResourceManager uses to make that
decision is the job. E.g., when a protocol asks for the "native" (the Pose of
the native structure), the %JD2ResourceManager looks up what job is currently
running and then delivers the (single) native Pose for that job.
The %JD2ResourceManager is meant to work with the JD2ResourceManagerJobInputter.
Jobs are defined in an input XML file and for each of the jobs that are defined,
resources can be mapped to them. Resources are also declared in an XML file
and may be declared in the same XML file as the Jobs or in a different XML file.
The format of this XML file is specified in full between the documentation
in the JD2ResourceManagerJobInputter class and three functions that are
documented and implemented in this class.
The %JD2ResourceManager keeps track of which resources are used by which jobs
and keeps track of what jobs have completed. It allocates a Resource the first
time that resource is requested by a protoocol, and it deallocates that Resource
when all jobs that require that resource have finished. Thus a protocol that
needs an expensive-to-create resource (e.g. a set of 9-mers) can load that
resource once and then have that resource shared between all of the jobs that
require that resource (e.g. 10K abinitio trajectories) *without having to do
any legwork itself.* If you have 100K abinitio trajectories for 10 different
targets, they could all be run in a single job. (Note: as of 9/2013, abinitio
does not work with the jd2 or the ResourceManager but it should!)
The main consequence of relying on the ResourceManager to hand resources to jobs
is that jobs which require different resources (usually specified on the command
line, and therefore requiring that each job run in a separate process) now can
be run together in a single process. For MPI jobs, this is a major improvement,
especially in constructing benchmarks, where many separate, (possibly short)
jobs need to be run.
(Because Resources are not constructed until they are requested, resources can
be declared and never used; you can give a resource file that describes every
resource you use in every job, and a job declaration file that only uses one
of those resources.) |
|
- Method resolution order:
- JD2ResourceManager
- rosetta.basic.resource_manager.LazyResourceManager
- rosetta.basic.resource_manager.ResourceManager
- builtins.object
Methods defined here:
- __init__(self, /, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.JD2ResourceManager, : rosetta.protocols.jd2.JD2ResourceManager) -> rosetta.protocols.jd2.JD2ResourceManager
- clear(...) from builtins.PyCapsule
- clear(rosetta.protocols.jd2.JD2ResourceManager) -> NoneType
- get_jd2_resource_manager_instance(...) from builtins.PyCapsule
- get_jd2_resource_manager_instance() -> rosetta.protocols.jd2.JD2ResourceManager
- get_option(...) from builtins.PyCapsule
- get_option(*args, **kwargs)
Overloaded function.
1. get_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.BooleanOptionKey) -> bool
2. get_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.BooleanVectorOptionKey) -> rosetta.utility.vector1_bool
3. get_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.FileOptionKey) -> rosetta.utility.file.FileName
4. get_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.FileVectorOptionKey) -> rosetta.utility.vector1_utility_file_FileName
5. get_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.IntegerOptionKey) -> int
6. get_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.IntegerVectorOptionKey) -> rosetta.utility.vector1_int
7. get_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.PathOptionKey) -> rosetta.utility.file.PathName
8. get_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.PathVectorOptionKey) -> rosetta.utility.vector1_utility_file_PathName
9. get_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.RealOptionKey) -> float
10. get_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.RealVectorOptionKey) -> rosetta.utility.vector1_double
11. get_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.StringOptionKey) -> str
12. get_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.StringVectorOptionKey) -> rosetta.utility.vector1_std_string
- has_option(...) from builtins.PyCapsule
- has_option(*args, **kwargs)
Overloaded function.
1. has_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.BooleanOptionKey) -> bool
2. has_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.BooleanVectorOptionKey) -> bool
3. has_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.FileOptionKey) -> bool
4. has_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.FileVectorOptionKey) -> bool
5. has_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.IntegerOptionKey) -> bool
6. has_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.IntegerVectorOptionKey) -> bool
7. has_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.PathOptionKey) -> bool
8. has_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.PathVectorOptionKey) -> bool
9. has_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.RealOptionKey) -> bool
10. has_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.RealVectorOptionKey) -> bool
11. has_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.StringOptionKey) -> bool
12. has_option(self : rosetta.protocols.jd2.JD2ResourceManager, key : rosetta.utility.options.StringVectorOptionKey) -> bool
- has_resource_with_description(...) from builtins.PyCapsule
- has_resource_with_description(self : rosetta.protocols.jd2.JD2ResourceManager, resource_description : str) -> bool
- read_resource_locators_tags(...) from builtins.PyCapsule
- read_resource_locators_tags(self : rosetta.protocols.jd2.JD2ResourceManager, tags : rosetta.utility.tag.Tag) -> NoneType
Read the portion of an XML file that declares ResourceLocator objects
- read_resource_options_tags(...) from builtins.PyCapsule
- read_resource_options_tags(self : rosetta.protocols.jd2.JD2ResourceManager, tags : rosetta.utility.tag.Tag) -> NoneType
- read_resources_tags(...) from builtins.PyCapsule
- read_resources_tags(self : rosetta.protocols.jd2.JD2ResourceManager, tags : rosetta.utility.tag.Tag) -> NoneType
Methods inherited from rosetta.basic.resource_manager.LazyResourceManager:
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.basic.resource_manager.LazyResourceManager) -> str
- add_job_options(...) from builtins.PyCapsule
- add_job_options(self : rosetta.basic.resource_manager.LazyResourceManager, job_tag : str, job_options : rosetta.basic.resource_manager.JobOptions) -> NoneType
- add_resource_configuration(...) from builtins.PyCapsule
- add_resource_configuration(self : rosetta.basic.resource_manager.LazyResourceManager, resource_tag : str, resource_configuration : rosetta.basic.resource_manager.ResourceConfiguration) -> NoneType
- add_resource_locator(...) from builtins.PyCapsule
- add_resource_locator(self : rosetta.basic.resource_manager.LazyResourceManager, locator_tag : str, resource_locator : basic::resource_manager::ResourceLocator) -> NoneType
- add_resource_options(...) from builtins.PyCapsule
- add_resource_options(self : rosetta.basic.resource_manager.LazyResourceManager, resource_options_tag : str, resource_options : rosetta.basic.resource_manager.ResourceOptions) -> NoneType
- add_resource_tag_by_job_tag(...) from builtins.PyCapsule
- add_resource_tag_by_job_tag(self : rosetta.basic.resource_manager.LazyResourceManager, resource_description : str, job_tag : str, resource_tag : str) -> NoneType
- create_resources(...) from builtins.PyCapsule
- create_resources(self : rosetta.basic.resource_manager.LazyResourceManager, : str) -> NoneType
Create all the resources for a particular job; this should be implemented by the derived
class. The implementation in this class calls utility::exit
- find_resource_configuration(...) from builtins.PyCapsule
- find_resource_configuration(self : rosetta.basic.resource_manager.LazyResourceManager, resource_tag : str) -> rosetta.basic.resource_manager.ResourceConfiguration
- find_resource_locator(...) from builtins.PyCapsule
- find_resource_locator(self : rosetta.basic.resource_manager.LazyResourceManager, locator_tag : str) -> basic::resource_manager::ResourceLocator
- find_resource_options(...) from builtins.PyCapsule
- find_resource_options(self : rosetta.basic.resource_manager.LazyResourceManager, resource_options_tag : str) -> rosetta.basic.resource_manager.ResourceOptions
- find_resource_tag_by_job_tag(...) from builtins.PyCapsule
- find_resource_tag_by_job_tag(self : rosetta.basic.resource_manager.LazyResourceManager, resource_description : str, job_tag : str) -> str
- free_resource_by_job_tag(...) from builtins.PyCapsule
- free_resource_by_job_tag(self : rosetta.basic.resource_manager.LazyResourceManager, resource_description : str, job_tag : str) -> NoneType
- free_resource_by_tag(...) from builtins.PyCapsule
- free_resource_by_tag(self : rosetta.basic.resource_manager.LazyResourceManager, resource_tag : str) -> NoneType
- get_count_of_jobs_associated_with_resource_tag(...) from builtins.PyCapsule
- get_count_of_jobs_associated_with_resource_tag(self : rosetta.basic.resource_manager.LazyResourceManager, resource_tag : str) -> int
- get_job_options(...) from builtins.PyCapsule
- get_job_options(self : rosetta.basic.resource_manager.LazyResourceManager, job_tag : str) -> rosetta.basic.resource_manager.JobOptions
- get_resource_tags_for_job_tag(...) from builtins.PyCapsule
- get_resource_tags_for_job_tag(self : rosetta.basic.resource_manager.LazyResourceManager, job_tag : str) -> rosetta.std.list_std_string_std_allocator_std_string_t
- has_job_options(...) from builtins.PyCapsule
- has_job_options(self : rosetta.basic.resource_manager.LazyResourceManager, job_tag : str) -> bool
- has_resource(...) from builtins.PyCapsule
- has_resource(self : rosetta.basic.resource_manager.LazyResourceManager, resource_tag : str) -> bool
Does a resource with a given name exist?
- has_resource_configuration(...) from builtins.PyCapsule
- has_resource_configuration(self : rosetta.basic.resource_manager.LazyResourceManager, resource_tag : str) -> bool
has a ResourceConfiguration been provided to the LazyResourceManager for a Resource with a particular ResourceTag?
- has_resource_locator(...) from builtins.PyCapsule
- has_resource_locator(self : rosetta.basic.resource_manager.LazyResourceManager, locator_tag : str) -> bool
has a ResourceLocator object been provided to the LazyResourceManager which has a particular LocatorTag?
- has_resource_options(...) from builtins.PyCapsule
- has_resource_options(self : rosetta.basic.resource_manager.LazyResourceManager, resource_options_tag : str) -> bool
has a ResourceOptions object been provided to the LazyResourceManager which has a particular ResourceOptionsTag?
- has_resource_tag_by_job_tag(...) from builtins.PyCapsule
- has_resource_tag_by_job_tag(self : rosetta.basic.resource_manager.LazyResourceManager, resource_description : str, job_tag : str) -> bool
- mark_job_tag_as_complete(...) from builtins.PyCapsule
- mark_job_tag_as_complete(self : rosetta.basic.resource_manager.LazyResourceManager, job_tag : str) -> NoneType
remove the Job tag from incomplete_job_sets_ for each resource
Methods inherited from rosetta.basic.resource_manager.ResourceManager:
- get_instance(...) from builtins.PyCapsule
- get_instance() -> rosetta.basic.resource_manager.ResourceManager
Deprecated access to a global (not-quite singleton) ResourceManager instance that
should be removed
|
class JD2ResourceManagerJobInputter(JobInputter) |
|
See the documentation in the JD2ResourceManager for a description of the file format
for the ResourceLocators block (JD2ResourceManager::read_resource_locators_tags),
the ResourceOptions block (JD2ResourceManager::read_resource_options_tags) and the
Resources block (JD2ResourceManager::read_resources_tags). |
|
- Method resolution order:
- JD2ResourceManagerJobInputter
- JobInputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.jd2.JD2ResourceManagerJobInputter) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.JD2ResourceManagerJobInputter, : rosetta.protocols.jd2.JD2ResourceManagerJobInputter) -> rosetta.protocols.jd2.JD2ResourceManagerJobInputter
- fill_jobs(...) from builtins.PyCapsule
- fill_jobs(self : rosetta.protocols.jd2.JD2ResourceManagerJobInputter, jobs : rosetta.protocols.jd2.JobsContainer) -> NoneType
this function determines what jobs exist. This function neither knows nor cares what jobs are already complete on disk/memory - it just figures out what ones should exist given the input. NOTE: your JobInputter should order Job objects in the Jobs vector to have as few "transitions" between inputs as possible (group all Jobs of the same input next to each other). This improves efficiency of the "FAIL_BAD_INPUT" functionality. Note I said "should", not "must".
- input_source(...) from builtins.PyCapsule
- input_source(rosetta.protocols.jd2.JD2ResourceManagerJobInputter) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
return the type of input source that the JobInputter is currently
using
- pose_from_job(...) from builtins.PyCapsule
- pose_from_job(self : rosetta.protocols.jd2.JD2ResourceManagerJobInputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
this function is responsible for filling the pose reference with the pose indicated by the job. The Job object (within its InnerJob) contains a PoseCOP. This function needs to either fill the pose reference from the InnerJob or, on first demand of a pose from that InnerJob, instantiate the pose, hand off a COP to the InnerJob, and fill the reference.
Methods inherited from JobInputter:
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self const owning pointers.
2. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self owning pointers.
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_const_protocols_jd2_JobInputter_t
Get self const weak pointers.
2. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_protocols_jd2_JobInputter_t
Get self weak pointers.
- job_inputter_input_source_to_string(...) from builtins.PyCapsule
- job_inputter_input_source_to_string(source : rosetta.protocols.jd2.JobInputterInputSource.Enum) -> str
call this with input_source() to get the input source of a
particular job inputter
- update_jobs_list(...) from builtins.PyCapsule
- update_jobs_list(self : rosetta.protocols.jd2.JobInputter, jobs : protocols::jd2::JobsContainer) -> NoneType
This function is only called by certain JobInputters to update the jobs list after it has already been created.
An example case would be the LargeNstructJobInputter, which uses this function to load additional jobs after the first N have started to come back.
- updates_jobs_list(...) from builtins.PyCapsule
- updates_jobs_list(rosetta.protocols.jd2.JobInputter) -> bool
Does this type of JobInputter update the jobs list?
False by default. Override this function in derived classes to make it true.
|
class Job(builtins.object) |
|
The Job class is directly used by the job distributor. It contains
an index into nstruct and a lightweight pointer to an InnerJob (to share
those heavier classes). It also directly contains job-associated output
data. The idea here is that your scores, etc are associated with the job,
not with a particular pose within that running job. Thus, the Job object is
a better place to store them than the pose. |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, inner_job : protocols::jd2::InnerJob, nstruct_index : int) -> NoneType
2. __init__(handle, rosetta.protocols.jd2.Job) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.protocols.jd2.Job) -> str
- add_string(...) from builtins.PyCapsule
- add_string(self : rosetta.protocols.jd2.Job, string_in : str) -> NoneType
add an output string
- add_string_real_pair(...) from builtins.PyCapsule
- add_string_real_pair(self : rosetta.protocols.jd2.Job, string_in : str, real_in : float) -> NoneType
add a string/real pair
- add_string_string_pair(...) from builtins.PyCapsule
- add_string_string_pair(self : rosetta.protocols.jd2.Job, string1 : str, string2 : str) -> NoneType
add a string/string pair
- add_strings(...) from builtins.PyCapsule
- add_strings(self : rosetta.protocols.jd2.Job, : rosetta.std.list_std_string_std_allocator_std_string_t) -> NoneType
add output strings
- bad(...) from builtins.PyCapsule
- bad(rosetta.protocols.jd2.Job) -> bool
- call_output_observers(...) from builtins.PyCapsule
- call_output_observers(self : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose) -> NoneType
- can_be_deleted(...) from builtins.PyCapsule
- can_be_deleted(rosetta.protocols.jd2.Job) -> bool
Returns true iff this job can be deleted to free up memory.
Should only be true if the job has completed, is bad, or has failed.
- clear_output(...) from builtins.PyCapsule
- clear_output(rosetta.protocols.jd2.Job) -> NoneType
Delete the output strings, string/string pairs, and string/real pairs.
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.jd2.Job) -> rosetta.protocols.jd2.Job
Return an owning pointer to a copy of this object.
- completed(...) from builtins.PyCapsule
- completed(rosetta.protocols.jd2.Job) -> bool
- copy_without_output(...) from builtins.PyCapsule
- copy_without_output(rosetta.protocols.jd2.Job) -> rosetta.protocols.jd2.Job
returns a copy of this object whose "output fields" are zeroed
out. Used by the JobDistributor in cases where the job fails and must be
retried to prevent accumulation of Job state after a failure. This
implementation was chosen over a clear_all_output function to prevent
mover A from deleting mover B's hard work! You probably should not be
trying to call this function. The exception: If you want an
intermediate-output pose (not the final pose) to not have the aggregated
accessory data in the "real" Job object.
- elapsed_time(...) from builtins.PyCapsule
- elapsed_time(rosetta.protocols.jd2.Job) -> int
- end_time(...) from builtins.PyCapsule
- end_time(rosetta.protocols.jd2.Job) -> int
- end_timing(...) from builtins.PyCapsule
- end_timing(rosetta.protocols.jd2.Job) -> NoneType
- get_pose(...) from builtins.PyCapsule
- get_pose(*args, **kwargs)
Overloaded function.
1. get_pose(rosetta.protocols.jd2.Job) -> rosetta.core.pose.Pose
return a COP to the input pose
2. get_pose(self : rosetta.protocols.jd2.Job, : rosetta.core.pose.Pose) -> NoneType
in-place copy of input pose
- get_string_real_pairs(...) from builtins.PyCapsule
- get_string_real_pairs(rosetta.protocols.jd2.Job) -> rosetta.std.map_std_string_double
- get_string_string_pairs(...) from builtins.PyCapsule
- get_string_string_pairs(rosetta.protocols.jd2.Job) -> rosetta.std.map_std_string_std_string
- get_strings(...) from builtins.PyCapsule
- get_strings(rosetta.protocols.jd2.Job) -> rosetta.std.list_std_string_std_allocator_std_string_t
/////////////////////END SECTION//////////////////////////////////////////////////////////////////
- inner_job(...) from builtins.PyCapsule
- inner_job(rosetta.protocols.jd2.Job) -> protocols::jd2::InnerJob
access to inner-job ... use is discouraged - use sparingly!
--- DO NOT use my_job->inner_job()->get_pose()
INSTEAD use my_job->get_pose()
- inner_job_nonconst(...) from builtins.PyCapsule
- inner_job_nonconst(rosetta.protocols.jd2.Job) -> protocols::jd2::InnerJob
nonconst access is intended only for the JobInputter to load poses into the InnerJob, and the Parser to add constraints, and the JobDistributor to delete completed inputs (recycle memory)
- input_tag(...) from builtins.PyCapsule
- input_tag(rosetta.protocols.jd2.Job) -> str
return the input tag (a short string, generally)
- nstruct_index(...) from builtins.PyCapsule
- nstruct_index(rosetta.protocols.jd2.Job) -> int
- nstruct_max(...) from builtins.PyCapsule
- nstruct_max(rosetta.protocols.jd2.Job) -> int
- output_string_real_pairs_begin(...) from builtins.PyCapsule
- output_string_real_pairs_begin(rosetta.protocols.jd2.Job) -> std::_Rb_tree_const_iterator<std::pair<std::string const, double> >
- output_string_real_pairs_end(...) from builtins.PyCapsule
- output_string_real_pairs_end(rosetta.protocols.jd2.Job) -> std::_Rb_tree_const_iterator<std::pair<std::string const, double> >
- output_string_string_pairs_begin(...) from builtins.PyCapsule
- output_string_string_pairs_begin(rosetta.protocols.jd2.Job) -> std::_Rb_tree_const_iterator<std::pair<std::string const, std::string> >
- output_string_string_pairs_end(...) from builtins.PyCapsule
- output_string_string_pairs_end(rosetta.protocols.jd2.Job) -> std::_Rb_tree_const_iterator<std::pair<std::string const, std::string> >
- output_strings_begin(...) from builtins.PyCapsule
- output_strings_begin(rosetta.protocols.jd2.Job) -> std::_List_const_iterator<std::string>
/////////////////THIS SECTION OF FUNCTIONS IS FORBIDDEN FOR USE BY MOVERS//////////////////////////////////
- output_strings_end(...) from builtins.PyCapsule
- output_strings_end(rosetta.protocols.jd2.Job) -> std::_List_const_iterator<std::string>
- set_bad(...) from builtins.PyCapsule
- set_bad(*args, **kwargs)
Overloaded function.
1. set_bad(rosetta.protocols.jd2.Job) -> NoneType
2. set_bad(self : rosetta.protocols.jd2.Job, value : bool) -> NoneType
- set_can_be_deleted(...) from builtins.PyCapsule
- set_can_be_deleted(*args, **kwargs)
Overloaded function.
1. set_can_be_deleted(rosetta.protocols.jd2.Job) -> NoneType
Set whether this job can be deleted to free up memory.
2. set_can_be_deleted(self : rosetta.protocols.jd2.Job, value : bool) -> NoneType
Set whether this job can be deleted to free up memory.
- set_completed(...) from builtins.PyCapsule
- set_completed(*args, **kwargs)
Overloaded function.
1. set_completed(rosetta.protocols.jd2.Job) -> NoneType
2. set_completed(self : rosetta.protocols.jd2.Job, value : bool) -> NoneType
- set_status_prefix(...) from builtins.PyCapsule
- set_status_prefix(self : rosetta.protocols.jd2.Job, prefix : str) -> NoneType
- start_time(...) from builtins.PyCapsule
- start_time(rosetta.protocols.jd2.Job) -> int
- start_timing(...) from builtins.PyCapsule
- start_timing(rosetta.protocols.jd2.Job) -> NoneType
- status_prefix(...) from builtins.PyCapsule
- status_prefix(rosetta.protocols.jd2.Job) -> str
- timestamp(...) from builtins.PyCapsule
- timestamp(rosetta.protocols.jd2.Job) -> str
- to_do(...) from builtins.PyCapsule
- to_do(rosetta.protocols.jd2.Job) -> bool
|
class JobDistributor(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(rosetta.protocols.jd2.JobDistributor, rosetta.protocols.jd2.JobDistributor) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_batch(...) from builtins.PyCapsule
- add_batch(*args, **kwargs)
Overloaded function.
1. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str) -> NoneType
add a new batch ( name will be interpreted as flag_file )
2. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str, id : int) -> NoneType
add a new batch ( name will be interpreted as flag_file )
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.JobDistributor, : rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobDistributor
- current_batch_id(...) from builtins.PyCapsule
- current_batch_id(rosetta.protocols.jd2.JobDistributor) -> int
what is the current batch number ? --- refers to position in batches_
- current_job(...) from builtins.PyCapsule
- current_job(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.Job
Movers may ask their controlling job distributor for information about the current job.
They may also write information to this job for later output, though this use is now discouraged
as the addition of the MultiplePoseMover now means that a single job may include several
separate trajectories.
- current_job_id(...) from builtins.PyCapsule
- current_job_id(rosetta.protocols.jd2.JobDistributor) -> int
integer access - which job are we on?
- current_output_name(...) from builtins.PyCapsule
- current_output_name(rosetta.protocols.jd2.JobDistributor) -> str
Movers may ask their controlling job distributor for the output name as defined by the Job and JobOutputter.
- get_current_batch(...) from builtins.PyCapsule
- get_current_batch(rosetta.protocols.jd2.JobDistributor) -> str
what is the current batch ? --- name refers to the flag-file used for this batch
- get_instance(...) from builtins.PyCapsule
- get_instance() -> rosetta.protocols.jd2.JobDistributor
- go(...) from builtins.PyCapsule
- go(*args, **kwargs)
Overloaded function.
1. go(self : rosetta.protocols.jd2.JobDistributor, mover : rosetta.protocols.moves.Mover) -> NoneType
This may be overridden by derived classes. Default implementation invokes go_main.
2. go(self : rosetta.protocols.jd2.JobDistributor, mover : rosetta.protocols.moves.Mover, jo : protocols::jd2::JobOutputter) -> NoneType
invokes go, after setting JobOutputter
3. go(self : rosetta.protocols.jd2.JobDistributor, mover : rosetta.protocols.moves.Mover, ji : rosetta.protocols.jd2.JobInputter) -> NoneType
invokes go, after setting JobInputter
4. go(self : rosetta.protocols.jd2.JobDistributor, mover : rosetta.protocols.moves.Mover, ji : rosetta.protocols.jd2.JobInputter, jo : protocols::jd2::JobOutputter) -> NoneType
invokes go, after setting JobInputter and JobOutputter
- job_inputter(...) from builtins.PyCapsule
- job_inputter(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputter
JobInputter access
- job_inputter_input_source(...) from builtins.PyCapsule
- job_inputter_input_source(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
The input source for the current JobInputter.
- job_outputter(...) from builtins.PyCapsule
- job_outputter(rosetta.protocols.jd2.JobDistributor) -> protocols::jd2::JobOutputter
Movers (or derived classes) may ask for the JobOutputter
- mpi_finalize(...) from builtins.PyCapsule
- mpi_finalize(self : rosetta.protocols.jd2.JobDistributor, finalize : bool) -> NoneType
should the go() function call MPI_finalize()? It probably should, this is true by default.
- restart(...) from builtins.PyCapsule
- restart(rosetta.protocols.jd2.JobDistributor) -> NoneType
- set_job_inputter(...) from builtins.PyCapsule
- set_job_inputter(self : rosetta.protocols.jd2.JobDistributor, new_job_inputter : rosetta.protocols.jd2.JobInputter) -> NoneType
Set the JobInputter and reset the Job list -- this is not something you want to do
after go() has been called, but before it has returned.
- set_job_outputter(...) from builtins.PyCapsule
- set_job_outputter(self : rosetta.protocols.jd2.JobDistributor, new_job_outputter : protocols::jd2::JobOutputter) -> NoneType
Movers (or derived classes) may ask for the JobOutputter
- total_nr_jobs(...) from builtins.PyCapsule
- total_nr_jobs(rosetta.protocols.jd2.JobDistributor) -> int
|
class JobInputter(builtins.object) |
|
The %JobInputter class is responsible for
- determining what jobs exist, and
- taking a job object and returning the starting pose associated with that job.
NOTE: your JobInputter should order Job objects in the Jobs vector to
have as few "transitions" between inputs as possible (group all Jobs of the
same input next to each other). This improves efficiency of the "FAIL_BAD_INPUT"
functionality. I said "should", not "must" on purpose. |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.jd2.JobInputter) -> NoneType
2. __init__(rosetta.protocols.jd2.JobInputter, rosetta.protocols.jd2.JobInputter) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.JobInputter, : rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
- fill_jobs(...) from builtins.PyCapsule
- fill_jobs(self : rosetta.protocols.jd2.JobInputter, jobs : protocols::jd2::JobsContainer) -> NoneType
this function determines what jobs exist. This function neither knows nor
cares what jobs are already complete on disk/memory - it just figures out what
ones should exist given the input. NOTE: your JobInputter should order Job objects
in the Jobs vector to have as few "transitions" between inputs as possible (group
all Jobs of the same input next to each other). This improves efficiency of the
"FAIL_BAD_INPUT" functionality. Note I (Brave Sir Steven) said "should", not "must".
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self const owning pointers.
2. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self owning pointers.
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_const_protocols_jd2_JobInputter_t
Get self const weak pointers.
2. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_protocols_jd2_JobInputter_t
Get self weak pointers.
- input_source(...) from builtins.PyCapsule
- input_source(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
return the type of input source that the JobInputter is currently
using
- job_inputter_input_source_to_string(...) from builtins.PyCapsule
- job_inputter_input_source_to_string(source : rosetta.protocols.jd2.JobInputterInputSource.Enum) -> str
call this with input_source() to get the input source of a
particular job inputter
- pose_from_job(...) from builtins.PyCapsule
- pose_from_job(self : rosetta.protocols.jd2.JobInputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
this function is responsible for returning the starting pose to use for
the input job. The Job object (within its InnerJob) contains a PoseCOP.
This function needs to either create a new Pose from the InnerJob Pose or, on
first demand of a pose from that InnerJob, instantiate the pose, hand off a COP
to the InnerJob, and fill the reference.
- update_jobs_list(...) from builtins.PyCapsule
- update_jobs_list(self : rosetta.protocols.jd2.JobInputter, jobs : protocols::jd2::JobsContainer) -> NoneType
This function is only called by certain JobInputters to update the jobs list after it has already been created.
An example case would be the LargeNstructJobInputter, which uses this function to load additional jobs after the first N have started to come back.
- updates_jobs_list(...) from builtins.PyCapsule
- updates_jobs_list(rosetta.protocols.jd2.JobInputter) -> bool
Does this type of JobInputter update the jobs list?
False by default. Override this function in derived classes to make it true.
|
class JobOutputter(builtins.object) |
|
the JobOutputter class is responsible for dealing with output, as well as determining what
jobs have already been output and what sort of name is associated with a job. Derived classes will
be responsible for output such as PDBS, PDBS.tar.gz and silent files. |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(rosetta.protocols.jd2.JobOutputter) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
////////////////////////////// evaluator interface ////////////////////////////////////////////
- call_output_observers(...) from builtins.PyCapsule
- call_output_observers(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
call all output_observers
- clear_evaluators(...) from builtins.PyCapsule
- clear_evaluators(rosetta.protocols.jd2.JobOutputter) -> NoneType
- evaluate(...) from builtins.PyCapsule
- evaluate(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluators(...) from builtins.PyCapsule
- evaluators(rosetta.protocols.jd2.JobOutputter) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- file(...) from builtins.PyCapsule
- file(self : rosetta.protocols.jd2.JobOutputter, job : rosetta.protocols.jd2.Job, data : str) -> NoneType
this function takes a string and writes it to disk (separately from Tracer output).
use some sort of extention option system - default .dat? .data?
- filename(...) from builtins.PyCapsule
- filename(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.jd2.Job) -> str
- final_pose(...) from builtins.PyCapsule
- final_pose(*args, **kwargs)
Overloaded function.
1. final_pose(self : rosetta.protocols.jd2.JobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose) -> NoneType
this function outputs the final result of a job.
2. final_pose(self : rosetta.protocols.jd2.JobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str) -> NoneType
this function outputs the final result of a job.
- flush(...) from builtins.PyCapsule
- flush(rosetta.protocols.jd2.JobOutputter) -> NoneType
this function is meant to be redefined in child classes to allow for flushing of memory buffers.
Here's the long version: The SilentFileJobOutputter wanted to buffer output, but needed to guaruntee that
the output would be flushed at end of runtime. The original implementation was to A) bend over backward to ensure
that the destructor was run (JobOutputter lives inside static JobDistributor, which was previously not destructed
because it's static) and B) flush the buffers in the destructor. This caused a problem because the buffer-flushing
tried to use the Tracers, which had already been destructed...boom crash.
New solution: re-forbid use of destructors within the static JobDistributor system, and create a flush
function to force this stuff out. So here it is:
- job_has_completed(...) from builtins.PyCapsule
- job_has_completed(self : rosetta.protocols.jd2.JobOutputter, job : rosetta.protocols.jd2.Job) -> bool
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.
- other_pose(...) from builtins.PyCapsule
- other_pose(*args, **kwargs)
Overloaded function.
1. other_pose(self : rosetta.protocols.jd2.JobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str) -> NoneType
this function is intended for saving mid-protocol poses; for example the final
centroid structure before the fullatom stage begins in a combined centroid / fullatom
protocol.
2. other_pose(self : rosetta.protocols.jd2.JobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str, copy_count : int) -> NoneType
this function is intended for saving mid-protocol poses; for example the final
centroid structure before the fullatom stage begins in a combined centroid / fullatom
protocol.
3. other_pose(self : rosetta.protocols.jd2.JobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str, copy_count : int, score_only : bool) -> NoneType
this function is intended for saving mid-protocol poses; for example the final
centroid structure before the fullatom stage begins in a combined centroid / fullatom
protocol.
- output_name(...) from builtins.PyCapsule
- output_name(self : rosetta.protocols.jd2.JobOutputter, job : rosetta.protocols.jd2.Job) -> str
this is the master function for determining the unique output identifier for a
job - should this be defined in the base class?
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.jd2.JobOutputter) -> NoneType
- set_evaluators(...) from builtins.PyCapsule
- set_evaluators(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- starting_pose(...) from builtins.PyCapsule
- starting_pose(self : rosetta.protocols.jd2.JobOutputter, : rosetta.core.pose.Pose) -> NoneType
optionally pass a starting (reference) pose to a JobOutputter for later comparison
purposes and/or as interface for initializing evaluators
|
class JobOutputterFactory(rosetta.utility.SingletonBase_protocols_jd2_JobOutputterFactory_t) |
| |
- Method resolution order:
- JobOutputterFactory
- rosetta.utility.SingletonBase_protocols_jd2_JobOutputterFactory_t
- builtins.object
Methods defined here:
- __init__(self, /, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- factory_register(...) from builtins.PyCapsule
- factory_register(self : rosetta.protocols.jd2.JobOutputterFactory, creator : rosetta.protocols.jd2.JobOutputterCreator) -> NoneType
- get_new_JobOutputter(...) from builtins.PyCapsule
- get_new_JobOutputter(*args, **kwargs)
Overloaded function.
1. get_new_JobOutputter(rosetta.protocols.jd2.JobOutputterFactory) -> rosetta.protocols.jd2.JobOutputter
return JobOutputter defined by output parameters (contained in option system and #defines for MPI, etc)
2. get_new_JobOutputter(self : rosetta.protocols.jd2.JobOutputterFactory, default_jobout : rosetta.protocols.jd2.JobOutputter) -> rosetta.protocols.jd2.JobOutputter
return JobOutputter defined by output parameters (contained in option system and #defines for MPI, etc). The difference is that if the option system, etc, says nothing about output (which as of this writing defaults to PDBJobOutputter), this function leaves the input Outputter unchanged. This allows overriding the default outputter choice in your executable (without abusing the mutability of the options system)
Methods inherited from rosetta.utility.SingletonBase_protocols_jd2_JobOutputterFactory_t:
- get_instance(...) from builtins.PyCapsule
- get_instance() -> protocols::jd2::JobOutputterFactory
|
class JobsContainer(builtins.object) |
|
The JobsContainer class contains a list of JobsOPs.
It permits the list to be versatile -- for example, if one wishes
to load only a subset of jobs into memory at any given time. |
|
Methods defined here:
- __getitem__(...) from builtins.PyCapsule
- __getitem__(*args, **kwargs)
Overloaded function.
1. __getitem__(self : rosetta.protocols.jd2.JobsContainer, index : int) -> rosetta.protocols.jd2.Job
Get a specific job, by number.
Should work even if jobs have been deleted, since this uses a
map instead of an array.
2. __getitem__(self : rosetta.protocols.jd2.JobsContainer, index : int) -> rosetta.protocols.jd2.Job
Get a specific job, by number (const-access).
Should work even if jobs have been deleted, since this uses a
map instead of an array.
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(rosetta.protocols.jd2.JobsContainer) -> NoneType
2. __init__(self : rosetta.protocols.jd2.JobsContainer, : rosetta.protocols.jd2.JobsContainer) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.JobsContainer, src : rosetta.protocols.jd2.JobsContainer) -> rosetta.protocols.jd2.JobsContainer
Assignment operator.
- back(...) from builtins.PyCapsule
- back(rosetta.protocols.jd2.JobsContainer) -> rosetta.protocols.jd2.Job
Access the last element.
- can_be_deleted(...) from builtins.PyCapsule
- can_be_deleted(self : rosetta.protocols.jd2.JobsContainer, index : int) -> bool
Can the job with the given index be deleted?
- clear(...) from builtins.PyCapsule
- clear(rosetta.protocols.jd2.JobsContainer) -> NoneType
Clear the jobs list
- erase(...) from builtins.PyCapsule
- erase(self : rosetta.protocols.jd2.JobsContainer, index : int) -> NoneType
Erase an element in the jobs list
- force_job_purging(...) from builtins.PyCapsule
- force_job_purging(rosetta.protocols.jd2.JobsContainer) -> bool
Get whether or not this JobsContainer forces job purging when higher-numbered jobs are requested.
If true, and if a job inputter is used that limits the number of jobs in memory at any given time,
then when a higher job index is requested than exists in memory, the JobsContainer will force job purging
until that job exists in memory. If false (the default), then only deletable jobs will be purged, and the
job inputter can attempt to add jobs up to the requested job (which might fail, if the requested job's number
is too high).
- get_loaded_job_indices(...) from builtins.PyCapsule
- get_loaded_job_indices(self : rosetta.protocols.jd2.JobsContainer, output : rosetta.utility.vector1_unsigned_long) -> NoneType
Get a list of job indices currently in memory.
The output vector is cleared and populated with the current job indices in memory.
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.jd2.JobsContainer) -> rosetta.protocols.jd2.JobsContainer
Get self const owning pointers.
2. get_self_ptr(rosetta.protocols.jd2.JobsContainer) -> rosetta.protocols.jd2.JobsContainer
Get self owning pointers.
- has_job(...) from builtins.PyCapsule
- has_job(self : rosetta.protocols.jd2.JobsContainer, index : int) -> bool
Does the job with the given index exist in the currently-loaded list of jobs?
- highest_job_index(...) from builtins.PyCapsule
- highest_job_index(rosetta.protocols.jd2.JobsContainer) -> int
Return the index of the highest job currently loaded in memory.
- push_back(...) from builtins.PyCapsule
- push_back(self : rosetta.protocols.jd2.JobsContainer, new_job : rosetta.protocols.jd2.Job) -> NoneType
Add a job to the list of jobs.
- set_all_current_jobs_as_deletable(...) from builtins.PyCapsule
- set_all_current_jobs_as_deletable(rosetta.protocols.jd2.JobsContainer) -> NoneType
Mark all jobs currently in memory as deletable.
This will result in all jobs being purged the next time a higher-index job is requeted.
- set_force_job_purging(...) from builtins.PyCapsule
- set_force_job_purging(*args, **kwargs)
Overloaded function.
1. set_force_job_purging(rosetta.protocols.jd2.JobsContainer) -> NoneType
Set whether or not this JobsContainer forces job purging when higher-numbered jobs are requested.
If true, and if a job inputter is used that limits the number of jobs in memory at any given time,
then when a higher job index is requested than exists in memory, the JobsContainer will force job purging
until that job exists in memory. If false (the default), then only deletable jobs will be purged, and the
job inputter can attempt to add jobs up to the requested job (which might fail, if the requested job's number
is too high).
2. set_force_job_purging(self : rosetta.protocols.jd2.JobsContainer, val : bool) -> NoneType
Set whether or not this JobsContainer forces job purging when higher-numbered jobs are requested.
If true, and if a job inputter is used that limits the number of jobs in memory at any given time,
then when a higher job index is requested than exists in memory, the JobsContainer will force job purging
until that job exists in memory. If false (the default), then only deletable jobs will be purged, and the
job inputter can attempt to add jobs up to the requested job (which might fail, if the requested job's number
is too high).
- set_job_inputter(...) from builtins.PyCapsule
- set_job_inputter(self : rosetta.protocols.jd2.JobsContainer, jobinputter : rosetta.protocols.jd2.JobInputter) -> NoneType
Set the job inputter.
Needed if the job list is to be updated by the job inputter.
- set_total_jobs(...) from builtins.PyCapsule
- set_total_jobs(self : rosetta.protocols.jd2.JobsContainer, total_jobs : int) -> NoneType
Set the total number of jobs.
This overrides whatever the length of the joblist_ is.
- shuffle(...) from builtins.PyCapsule
- shuffle(rosetta.protocols.jd2.JobsContainer) -> NoneType
Randomize the order of elements (the map keys)
- size(...) from builtins.PyCapsule
- size(rosetta.protocols.jd2.JobsContainer) -> int
Get the total number of jobs.
Might not be the number in the joblist_ map, if we're only holding
a subset in memory at any given time.
|
class LargeNstructJobInputter(JobInputter) |
|
This is an implementation of JobInputter for cases where it's not possible to list all jobs at once. |
|
- Method resolution order:
- LargeNstructJobInputter
- JobInputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.jd2.LargeNstructJobInputter) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.LargeNstructJobInputter, : rosetta.protocols.jd2.LargeNstructJobInputter) -> rosetta.protocols.jd2.LargeNstructJobInputter
- fill_jobs(...) from builtins.PyCapsule
- fill_jobs(self : rosetta.protocols.jd2.LargeNstructJobInputter, jobs : rosetta.protocols.jd2.JobsContainer) -> NoneType
This function determines what jobs exist.
Unlike the GenericJobInputter, this version only ever has a subset of total jobs in
memory at any given time.
- input_source(...) from builtins.PyCapsule
- input_source(rosetta.protocols.jd2.LargeNstructJobInputter) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
Return the type of input source that the LargeNstructJobInputter is currently
using.
Always POSE.
- pose_from_job(...) from builtins.PyCapsule
- pose_from_job(self : rosetta.protocols.jd2.LargeNstructJobInputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
this function is responsible for filling the pose reference with
the pose indicated by the job. The Job object (within its InnerJob)
contains a PoseCOP. This function needs to either fill the pose
reference from the InnerJob or, on first demand of a pose from that
InnerJob, instantiate the pose, hand off a COP to the InnerJob, and fill
the reference.
- update_jobs_list(...) from builtins.PyCapsule
- update_jobs_list(self : rosetta.protocols.jd2.LargeNstructJobInputter, jobs : rosetta.protocols.jd2.JobsContainer) -> NoneType
This function is only called by certain JobInputters to update the jobs list after it has already been created.
An example case would be the LargeNstructJobInputter, which uses this function to load additional jobs after
the first N have started to come back.
- updates_jobs_list(...) from builtins.PyCapsule
- updates_jobs_list(rosetta.protocols.jd2.LargeNstructJobInputter) -> bool
Does this type of JobInputter update the jobs list?
False by default. Override this function in derived classes to make it true.
The LargeNstructJobInputter overrides this, and returns true.
Methods inherited from JobInputter:
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self const owning pointers.
2. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self owning pointers.
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_const_protocols_jd2_JobInputter_t
Get self const weak pointers.
2. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_protocols_jd2_JobInputter_t
Get self weak pointers.
- job_inputter_input_source_to_string(...) from builtins.PyCapsule
- job_inputter_input_source_to_string(source : rosetta.protocols.jd2.JobInputterInputSource.Enum) -> str
call this with input_source() to get the input source of a
particular job inputter
|
class LazySilentFileJobInputter(JobInputter) |
| |
- Method resolution order:
- LazySilentFileJobInputter
- JobInputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.jd2.LazySilentFileJobInputter) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.LazySilentFileJobInputter, : rosetta.protocols.jd2.LazySilentFileJobInputter) -> rosetta.protocols.jd2.LazySilentFileJobInputter
- fill_jobs(...) from builtins.PyCapsule
- fill_jobs(self : rosetta.protocols.jd2.LazySilentFileJobInputter, jobs : rosetta.protocols.jd2.JobsContainer) -> NoneType
- input_source(...) from builtins.PyCapsule
- input_source(rosetta.protocols.jd2.LazySilentFileJobInputter) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
- pose_from_job(...) from builtins.PyCapsule
- pose_from_job(self : rosetta.protocols.jd2.LazySilentFileJobInputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
- silent_file_data(...) from builtins.PyCapsule
- silent_file_data(rosetta.protocols.jd2.LazySilentFileJobInputter) -> rosetta.core.io.silent.SilentFileData
- struct_from_job(...) from builtins.PyCapsule
- struct_from_job(self : rosetta.protocols.jd2.LazySilentFileJobInputter, job : rosetta.protocols.jd2.Job) -> rosetta.core.io.silent.SilentStruct
Methods inherited from JobInputter:
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self const owning pointers.
2. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self owning pointers.
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_const_protocols_jd2_JobInputter_t
Get self const weak pointers.
2. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_protocols_jd2_JobInputter_t
Get self weak pointers.
- job_inputter_input_source_to_string(...) from builtins.PyCapsule
- job_inputter_input_source_to_string(source : rosetta.protocols.jd2.JobInputterInputSource.Enum) -> str
call this with input_source() to get the input source of a
particular job inputter
- update_jobs_list(...) from builtins.PyCapsule
- update_jobs_list(self : rosetta.protocols.jd2.JobInputter, jobs : protocols::jd2::JobsContainer) -> NoneType
This function is only called by certain JobInputters to update the jobs list after it has already been created.
An example case would be the LargeNstructJobInputter, which uses this function to load additional jobs after the first N have started to come back.
- updates_jobs_list(...) from builtins.PyCapsule
- updates_jobs_list(rosetta.protocols.jd2.JobInputter) -> bool
Does this type of JobInputter update the jobs list?
False by default. Override this function in derived classes to make it true.
|
class MPIFileBufJobDistributor(JobDistributor) |
|
This JobDistributor is intended for machines where you have a large number of processors.
two dedicated processes are used to handle JobDistribution and File-IO.
all other processes (higher rank ) are used for computation.
the file_buf_rank_ process runs the MpiFileBuffer which is at the receiving end of all ozstream output that is rerouted via MPI from the
slave nodes.
This means all slaves write to the same file without FileSystem congestion and interlacing in the file -- IO is handled from a single dedicated process
The other dedicated process (master_rank) runs the actual JobDistributor
and is only used to distribute jobs to slaves and receive their notification of successful or failed execution
in case you have only a small number of processors you can put say 10 MPI processes on 8 processors to get optimal CPU usage. |
|
- Method resolution order:
- MPIFileBufJobDistributor
- JobDistributor
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle, rosetta.protocols.jd2.MPIFileBufJobDistributor) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- get_new_job_id(...) from builtins.PyCapsule
- get_new_job_id(rosetta.protocols.jd2.MPIFileBufJobDistributor) -> int
dummy for master/slave version
- go(...) from builtins.PyCapsule
- go(self : rosetta.protocols.jd2.MPIFileBufJobDistributor, mover : rosetta.protocols.moves.Mover) -> NoneType
dummy for master/slave version
- increment_client_rank(...) from builtins.PyCapsule
- increment_client_rank(rosetta.protocols.jd2.MPIFileBufJobDistributor) -> int
- job_failed(...) from builtins.PyCapsule
- job_failed(self : rosetta.protocols.jd2.MPIFileBufJobDistributor, pose : rosetta.core.pose.Pose, will_retry : bool) -> NoneType
- job_succeeded(...) from builtins.PyCapsule
- job_succeeded(self : rosetta.protocols.jd2.MPIFileBufJobDistributor, pose : rosetta.core.pose.Pose, runtime : float, tag : str) -> NoneType
dummy for master/slave version
- mark_current_job_id_for_repetition(...) from builtins.PyCapsule
- mark_current_job_id_for_repetition(rosetta.protocols.jd2.MPIFileBufJobDistributor) -> NoneType
dummy for master/slave version
- min_client_rank(...) from builtins.PyCapsule
- min_client_rank(rosetta.protocols.jd2.MPIFileBufJobDistributor) -> int
return rank of first worker process (there might be more dedicated processes, e.g., ArchiveManager...)
- remove_bad_inputs_from_job_list(...) from builtins.PyCapsule
- remove_bad_inputs_from_job_list(rosetta.protocols.jd2.MPIFileBufJobDistributor) -> NoneType
dummy for master/slave version
Methods inherited from JobDistributor:
- add_batch(...) from builtins.PyCapsule
- add_batch(*args, **kwargs)
Overloaded function.
1. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str) -> NoneType
add a new batch ( name will be interpreted as flag_file )
2. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str, id : int) -> NoneType
add a new batch ( name will be interpreted as flag_file )
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.JobDistributor, : rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobDistributor
- current_batch_id(...) from builtins.PyCapsule
- current_batch_id(rosetta.protocols.jd2.JobDistributor) -> int
what is the current batch number ? --- refers to position in batches_
- current_job(...) from builtins.PyCapsule
- current_job(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.Job
Movers may ask their controlling job distributor for information about the current job.
They may also write information to this job for later output, though this use is now discouraged
as the addition of the MultiplePoseMover now means that a single job may include several
separate trajectories.
- current_job_id(...) from builtins.PyCapsule
- current_job_id(rosetta.protocols.jd2.JobDistributor) -> int
integer access - which job are we on?
- current_output_name(...) from builtins.PyCapsule
- current_output_name(rosetta.protocols.jd2.JobDistributor) -> str
Movers may ask their controlling job distributor for the output name as defined by the Job and JobOutputter.
- get_current_batch(...) from builtins.PyCapsule
- get_current_batch(rosetta.protocols.jd2.JobDistributor) -> str
what is the current batch ? --- name refers to the flag-file used for this batch
- get_instance(...) from builtins.PyCapsule
- get_instance() -> rosetta.protocols.jd2.JobDistributor
- job_inputter(...) from builtins.PyCapsule
- job_inputter(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputter
JobInputter access
- job_inputter_input_source(...) from builtins.PyCapsule
- job_inputter_input_source(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
The input source for the current JobInputter.
- job_outputter(...) from builtins.PyCapsule
- job_outputter(rosetta.protocols.jd2.JobDistributor) -> protocols::jd2::JobOutputter
Movers (or derived classes) may ask for the JobOutputter
- mpi_finalize(...) from builtins.PyCapsule
- mpi_finalize(self : rosetta.protocols.jd2.JobDistributor, finalize : bool) -> NoneType
should the go() function call MPI_finalize()? It probably should, this is true by default.
- restart(...) from builtins.PyCapsule
- restart(rosetta.protocols.jd2.JobDistributor) -> NoneType
- set_job_inputter(...) from builtins.PyCapsule
- set_job_inputter(self : rosetta.protocols.jd2.JobDistributor, new_job_inputter : rosetta.protocols.jd2.JobInputter) -> NoneType
Set the JobInputter and reset the Job list -- this is not something you want to do
after go() has been called, but before it has returned.
- set_job_outputter(...) from builtins.PyCapsule
- set_job_outputter(self : rosetta.protocols.jd2.JobDistributor, new_job_outputter : protocols::jd2::JobOutputter) -> NoneType
Movers (or derived classes) may ask for the JobOutputter
- total_nr_jobs(...) from builtins.PyCapsule
- total_nr_jobs(rosetta.protocols.jd2.JobDistributor) -> int
|
class MPIMultiCommJobDistributor(MPIFileBufJobDistributor) |
|
This JobDistributor is intended for JD2 controlled runs of multiple parallel simulations that use
multiple replicas: e.g., N trajectories of M replicas on N*M+2 processes. (2 processes for central JD2 and MPIFileBuf )
derived from MPIFileBufJobDistributor: two dedicated processes are used to handle JobDistribution and File-IO.
all other processes (higher rank ) are used for computation. |
|
- Method resolution order:
- MPIMultiCommJobDistributor
- MPIFileBufJobDistributor
- JobDistributor
- builtins.object
Methods defined here:
- __init__(self, /, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- get_new_job_id(...) from builtins.PyCapsule
- get_new_job_id(rosetta.protocols.jd2.MPIMultiCommJobDistributor) -> int
dummy for master/slave version
- job_failed(...) from builtins.PyCapsule
- job_failed(self : rosetta.protocols.jd2.MPIMultiCommJobDistributor, pose : rosetta.core.pose.Pose, : bool) -> NoneType
overloaded to suppress message from higher-rank replicas
- job_succeeded(...) from builtins.PyCapsule
- job_succeeded(self : rosetta.protocols.jd2.MPIMultiCommJobDistributor, pose : rosetta.core.pose.Pose, run_timei : float, tag : str) -> NoneType
overloaded to suppress message from higher-rank replicas
- sub_rank(...) from builtins.PyCapsule
- sub_rank(rosetta.protocols.jd2.MPIMultiCommJobDistributor) -> int
Methods inherited from MPIFileBufJobDistributor:
- go(...) from builtins.PyCapsule
- go(self : rosetta.protocols.jd2.MPIFileBufJobDistributor, mover : rosetta.protocols.moves.Mover) -> NoneType
dummy for master/slave version
- increment_client_rank(...) from builtins.PyCapsule
- increment_client_rank(rosetta.protocols.jd2.MPIFileBufJobDistributor) -> int
- mark_current_job_id_for_repetition(...) from builtins.PyCapsule
- mark_current_job_id_for_repetition(rosetta.protocols.jd2.MPIFileBufJobDistributor) -> NoneType
dummy for master/slave version
- min_client_rank(...) from builtins.PyCapsule
- min_client_rank(rosetta.protocols.jd2.MPIFileBufJobDistributor) -> int
return rank of first worker process (there might be more dedicated processes, e.g., ArchiveManager...)
- remove_bad_inputs_from_job_list(...) from builtins.PyCapsule
- remove_bad_inputs_from_job_list(rosetta.protocols.jd2.MPIFileBufJobDistributor) -> NoneType
dummy for master/slave version
Methods inherited from JobDistributor:
- add_batch(...) from builtins.PyCapsule
- add_batch(*args, **kwargs)
Overloaded function.
1. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str) -> NoneType
add a new batch ( name will be interpreted as flag_file )
2. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str, id : int) -> NoneType
add a new batch ( name will be interpreted as flag_file )
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.JobDistributor, : rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobDistributor
- current_batch_id(...) from builtins.PyCapsule
- current_batch_id(rosetta.protocols.jd2.JobDistributor) -> int
what is the current batch number ? --- refers to position in batches_
- current_job(...) from builtins.PyCapsule
- current_job(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.Job
Movers may ask their controlling job distributor for information about the current job.
They may also write information to this job for later output, though this use is now discouraged
as the addition of the MultiplePoseMover now means that a single job may include several
separate trajectories.
- current_job_id(...) from builtins.PyCapsule
- current_job_id(rosetta.protocols.jd2.JobDistributor) -> int
integer access - which job are we on?
- current_output_name(...) from builtins.PyCapsule
- current_output_name(rosetta.protocols.jd2.JobDistributor) -> str
Movers may ask their controlling job distributor for the output name as defined by the Job and JobOutputter.
- get_current_batch(...) from builtins.PyCapsule
- get_current_batch(rosetta.protocols.jd2.JobDistributor) -> str
what is the current batch ? --- name refers to the flag-file used for this batch
- get_instance(...) from builtins.PyCapsule
- get_instance() -> rosetta.protocols.jd2.JobDistributor
- job_inputter(...) from builtins.PyCapsule
- job_inputter(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputter
JobInputter access
- job_inputter_input_source(...) from builtins.PyCapsule
- job_inputter_input_source(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
The input source for the current JobInputter.
- job_outputter(...) from builtins.PyCapsule
- job_outputter(rosetta.protocols.jd2.JobDistributor) -> protocols::jd2::JobOutputter
Movers (or derived classes) may ask for the JobOutputter
- mpi_finalize(...) from builtins.PyCapsule
- mpi_finalize(self : rosetta.protocols.jd2.JobDistributor, finalize : bool) -> NoneType
should the go() function call MPI_finalize()? It probably should, this is true by default.
- restart(...) from builtins.PyCapsule
- restart(rosetta.protocols.jd2.JobDistributor) -> NoneType
- set_job_inputter(...) from builtins.PyCapsule
- set_job_inputter(self : rosetta.protocols.jd2.JobDistributor, new_job_inputter : rosetta.protocols.jd2.JobInputter) -> NoneType
Set the JobInputter and reset the Job list -- this is not something you want to do
after go() has been called, but before it has returned.
- set_job_outputter(...) from builtins.PyCapsule
- set_job_outputter(self : rosetta.protocols.jd2.JobDistributor, new_job_outputter : protocols::jd2::JobOutputter) -> NoneType
Movers (or derived classes) may ask for the JobOutputter
- total_nr_jobs(...) from builtins.PyCapsule
- total_nr_jobs(rosetta.protocols.jd2.JobDistributor) -> int
|
class MPIWorkPartitionJobDistributor(JobDistributor) |
|
This job distributor is meant for running jobs where the number of jobs is equal to the number of processors
(or, similarly, the jobs % processors calculation is very close to the number of processors and NOT a small number).
It will blindly divide up jobs across processors and then start running them; it will NOT attempt load-balancing by
giving more jobs to the processors that finished their original jobs. This is intended for use on smaller numbers of
processors, and/or where the jobs are known to be equal in runtime. (The WorkPool implementation is meant for when
runtimes are uncertain, or you have many many processors). It does not "waste" a processor as a master node, instead
all processors run jobs. |
|
- Method resolution order:
- MPIWorkPartitionJobDistributor
- JobDistributor
- builtins.object
Methods defined here:
- __init__(self, /, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.MPIWorkPartitionJobDistributor, : rosetta.protocols.jd2.MPIWorkPartitionJobDistributor) -> rosetta.protocols.jd2.MPIWorkPartitionJobDistributor
- get_new_job_id(...) from builtins.PyCapsule
- get_new_job_id(rosetta.protocols.jd2.MPIWorkPartitionJobDistributor) -> int
- go(...) from builtins.PyCapsule
- go(self : rosetta.protocols.jd2.MPIWorkPartitionJobDistributor, mover : rosetta.protocols.moves.Mover) -> NoneType
- mark_current_job_id_for_repetition(...) from builtins.PyCapsule
- mark_current_job_id_for_repetition(rosetta.protocols.jd2.MPIWorkPartitionJobDistributor) -> NoneType
- remove_bad_inputs_from_job_list(...) from builtins.PyCapsule
- remove_bad_inputs_from_job_list(rosetta.protocols.jd2.MPIWorkPartitionJobDistributor) -> NoneType
Methods inherited from JobDistributor:
- add_batch(...) from builtins.PyCapsule
- add_batch(*args, **kwargs)
Overloaded function.
1. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str) -> NoneType
add a new batch ( name will be interpreted as flag_file )
2. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str, id : int) -> NoneType
add a new batch ( name will be interpreted as flag_file )
- current_batch_id(...) from builtins.PyCapsule
- current_batch_id(rosetta.protocols.jd2.JobDistributor) -> int
what is the current batch number ? --- refers to position in batches_
- current_job(...) from builtins.PyCapsule
- current_job(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.Job
Movers may ask their controlling job distributor for information about the current job.
They may also write information to this job for later output, though this use is now discouraged
as the addition of the MultiplePoseMover now means that a single job may include several
separate trajectories.
- current_job_id(...) from builtins.PyCapsule
- current_job_id(rosetta.protocols.jd2.JobDistributor) -> int
integer access - which job are we on?
- current_output_name(...) from builtins.PyCapsule
- current_output_name(rosetta.protocols.jd2.JobDistributor) -> str
Movers may ask their controlling job distributor for the output name as defined by the Job and JobOutputter.
- get_current_batch(...) from builtins.PyCapsule
- get_current_batch(rosetta.protocols.jd2.JobDistributor) -> str
what is the current batch ? --- name refers to the flag-file used for this batch
- get_instance(...) from builtins.PyCapsule
- get_instance() -> rosetta.protocols.jd2.JobDistributor
- job_inputter(...) from builtins.PyCapsule
- job_inputter(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputter
JobInputter access
- job_inputter_input_source(...) from builtins.PyCapsule
- job_inputter_input_source(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
The input source for the current JobInputter.
- job_outputter(...) from builtins.PyCapsule
- job_outputter(rosetta.protocols.jd2.JobDistributor) -> protocols::jd2::JobOutputter
Movers (or derived classes) may ask for the JobOutputter
- mpi_finalize(...) from builtins.PyCapsule
- mpi_finalize(self : rosetta.protocols.jd2.JobDistributor, finalize : bool) -> NoneType
should the go() function call MPI_finalize()? It probably should, this is true by default.
- restart(...) from builtins.PyCapsule
- restart(rosetta.protocols.jd2.JobDistributor) -> NoneType
- set_job_inputter(...) from builtins.PyCapsule
- set_job_inputter(self : rosetta.protocols.jd2.JobDistributor, new_job_inputter : rosetta.protocols.jd2.JobInputter) -> NoneType
Set the JobInputter and reset the Job list -- this is not something you want to do
after go() has been called, but before it has returned.
- set_job_outputter(...) from builtins.PyCapsule
- set_job_outputter(self : rosetta.protocols.jd2.JobDistributor, new_job_outputter : protocols::jd2::JobOutputter) -> NoneType
Movers (or derived classes) may ask for the JobOutputter
- total_nr_jobs(...) from builtins.PyCapsule
- total_nr_jobs(rosetta.protocols.jd2.JobDistributor) -> int
|
class MPIWorkPoolJobDistributor(JobDistributor) |
|
This job distributor is meant for running jobs where the machine you are using has a large number of
processors, the number of jobs is much greater than the number of processors, or the runtimes of the individual jobs
could vary greatly. It dedicates the head node (whichever processor gets processor rank #0) to handling job requests
from the slave nodes (all nonzero ranks). Unlike the MPIWorkPartitionJobDistributor, this JD will not work at all
without MPI and the implementations of all but the interface functions have been put inside of ifdef directives.
Generally each function has a master and slave version, and the interface functions call one or the other depending
on processor rank. |
|
- Method resolution order:
- MPIWorkPoolJobDistributor
- JobDistributor
- builtins.object
Methods defined here:
- __init__(self, /, *args, **kwargs)
- Initialize self. See help(type(self)) for accurate signature.
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.MPIWorkPoolJobDistributor, : rosetta.protocols.jd2.MPIWorkPoolJobDistributor) -> rosetta.protocols.jd2.MPIWorkPoolJobDistributor
- get_new_job_id(...) from builtins.PyCapsule
- get_new_job_id(rosetta.protocols.jd2.MPIWorkPoolJobDistributor) -> int
dummy for master/slave version
- go(...) from builtins.PyCapsule
- go(self : rosetta.protocols.jd2.MPIWorkPoolJobDistributor, mover : rosetta.protocols.moves.Mover) -> NoneType
dummy for master/slave version
- job_failed(...) from builtins.PyCapsule
- job_failed(self : rosetta.protocols.jd2.MPIWorkPoolJobDistributor, pose : rosetta.core.pose.Pose, will_retry : bool) -> NoneType
Called if job fails.
- job_succeeded(...) from builtins.PyCapsule
- job_succeeded(self : rosetta.protocols.jd2.MPIWorkPoolJobDistributor, pose : rosetta.core.pose.Pose, run_time : float, tag : str) -> NoneType
dummy for master/slave version
- mark_current_job_id_for_repetition(...) from builtins.PyCapsule
- mark_current_job_id_for_repetition(rosetta.protocols.jd2.MPIWorkPoolJobDistributor) -> NoneType
dummy for master/slave version
- mpi_finalize(...) from builtins.PyCapsule
- mpi_finalize(self : rosetta.protocols.jd2.MPIWorkPoolJobDistributor, finalize : bool) -> NoneType
should the go() function call MPI_finalize()? It probably should, this is true by default.
- remove_bad_inputs_from_job_list(...) from builtins.PyCapsule
- remove_bad_inputs_from_job_list(rosetta.protocols.jd2.MPIWorkPoolJobDistributor) -> NoneType
dummy for master/slave version
Methods inherited from JobDistributor:
- add_batch(...) from builtins.PyCapsule
- add_batch(*args, **kwargs)
Overloaded function.
1. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str) -> NoneType
add a new batch ( name will be interpreted as flag_file )
2. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str, id : int) -> NoneType
add a new batch ( name will be interpreted as flag_file )
- current_batch_id(...) from builtins.PyCapsule
- current_batch_id(rosetta.protocols.jd2.JobDistributor) -> int
what is the current batch number ? --- refers to position in batches_
- current_job(...) from builtins.PyCapsule
- current_job(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.Job
Movers may ask their controlling job distributor for information about the current job.
They may also write information to this job for later output, though this use is now discouraged
as the addition of the MultiplePoseMover now means that a single job may include several
separate trajectories.
- current_job_id(...) from builtins.PyCapsule
- current_job_id(rosetta.protocols.jd2.JobDistributor) -> int
integer access - which job are we on?
- current_output_name(...) from builtins.PyCapsule
- current_output_name(rosetta.protocols.jd2.JobDistributor) -> str
Movers may ask their controlling job distributor for the output name as defined by the Job and JobOutputter.
- get_current_batch(...) from builtins.PyCapsule
- get_current_batch(rosetta.protocols.jd2.JobDistributor) -> str
what is the current batch ? --- name refers to the flag-file used for this batch
- get_instance(...) from builtins.PyCapsule
- get_instance() -> rosetta.protocols.jd2.JobDistributor
- job_inputter(...) from builtins.PyCapsule
- job_inputter(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputter
JobInputter access
- job_inputter_input_source(...) from builtins.PyCapsule
- job_inputter_input_source(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
The input source for the current JobInputter.
- job_outputter(...) from builtins.PyCapsule
- job_outputter(rosetta.protocols.jd2.JobDistributor) -> protocols::jd2::JobOutputter
Movers (or derived classes) may ask for the JobOutputter
- restart(...) from builtins.PyCapsule
- restart(rosetta.protocols.jd2.JobDistributor) -> NoneType
- set_job_inputter(...) from builtins.PyCapsule
- set_job_inputter(self : rosetta.protocols.jd2.JobDistributor, new_job_inputter : rosetta.protocols.jd2.JobInputter) -> NoneType
Set the JobInputter and reset the Job list -- this is not something you want to do
after go() has been called, but before it has returned.
- set_job_outputter(...) from builtins.PyCapsule
- set_job_outputter(self : rosetta.protocols.jd2.JobDistributor, new_job_outputter : protocols::jd2::JobOutputter) -> NoneType
Movers (or derived classes) may ask for the JobOutputter
- total_nr_jobs(...) from builtins.PyCapsule
- total_nr_jobs(rosetta.protocols.jd2.JobDistributor) -> int
|
class MSDJobDistributor(JobDistributor) |
| |
- Method resolution order:
- MSDJobDistributor
- JobDistributor
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.MSDJobDistributor, : rosetta.protocols.jd2.MSDJobDistributor) -> rosetta.protocols.jd2.MSDJobDistributor
- current_job(...) from builtins.PyCapsule
- current_job(rosetta.protocols.jd2.MSDJobDistributor) -> rosetta.protocols.jd2.Job
- get_new_job_id(...) from builtins.PyCapsule
- get_new_job_id(rosetta.protocols.jd2.MSDJobDistributor) -> int
- go(...) from builtins.PyCapsule
- go(self : rosetta.protocols.jd2.MSDJobDistributor, mover : rosetta.protocols.moves.Mover) -> NoneType
- handle_interrupt(...) from builtins.PyCapsule
- handle_interrupt(rosetta.protocols.jd2.MSDJobDistributor) -> NoneType
- job_failed(...) from builtins.PyCapsule
- job_failed(self : rosetta.protocols.jd2.MSDJobDistributor, : rosetta.core.pose.Pose, : bool) -> NoneType
- mark_current_job_id_for_repetition(...) from builtins.PyCapsule
- mark_current_job_id_for_repetition(rosetta.protocols.jd2.MSDJobDistributor) -> NoneType
Methods inherited from JobDistributor:
- add_batch(...) from builtins.PyCapsule
- add_batch(*args, **kwargs)
Overloaded function.
1. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str) -> NoneType
add a new batch ( name will be interpreted as flag_file )
2. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str, id : int) -> NoneType
add a new batch ( name will be interpreted as flag_file )
- current_batch_id(...) from builtins.PyCapsule
- current_batch_id(rosetta.protocols.jd2.JobDistributor) -> int
what is the current batch number ? --- refers to position in batches_
- current_job_id(...) from builtins.PyCapsule
- current_job_id(rosetta.protocols.jd2.JobDistributor) -> int
integer access - which job are we on?
- current_output_name(...) from builtins.PyCapsule
- current_output_name(rosetta.protocols.jd2.JobDistributor) -> str
Movers may ask their controlling job distributor for the output name as defined by the Job and JobOutputter.
- get_current_batch(...) from builtins.PyCapsule
- get_current_batch(rosetta.protocols.jd2.JobDistributor) -> str
what is the current batch ? --- name refers to the flag-file used for this batch
- get_instance(...) from builtins.PyCapsule
- get_instance() -> rosetta.protocols.jd2.JobDistributor
- job_inputter(...) from builtins.PyCapsule
- job_inputter(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputter
JobInputter access
- job_inputter_input_source(...) from builtins.PyCapsule
- job_inputter_input_source(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
The input source for the current JobInputter.
- job_outputter(...) from builtins.PyCapsule
- job_outputter(rosetta.protocols.jd2.JobDistributor) -> protocols::jd2::JobOutputter
Movers (or derived classes) may ask for the JobOutputter
- mpi_finalize(...) from builtins.PyCapsule
- mpi_finalize(self : rosetta.protocols.jd2.JobDistributor, finalize : bool) -> NoneType
should the go() function call MPI_finalize()? It probably should, this is true by default.
- restart(...) from builtins.PyCapsule
- restart(rosetta.protocols.jd2.JobDistributor) -> NoneType
- set_job_inputter(...) from builtins.PyCapsule
- set_job_inputter(self : rosetta.protocols.jd2.JobDistributor, new_job_inputter : rosetta.protocols.jd2.JobInputter) -> NoneType
Set the JobInputter and reset the Job list -- this is not something you want to do
after go() has been called, but before it has returned.
- set_job_outputter(...) from builtins.PyCapsule
- set_job_outputter(self : rosetta.protocols.jd2.JobDistributor, new_job_outputter : protocols::jd2::JobOutputter) -> NoneType
Movers (or derived classes) may ask for the JobOutputter
- total_nr_jobs(...) from builtins.PyCapsule
- total_nr_jobs(rosetta.protocols.jd2.JobDistributor) -> int
|
class MpiFileBuffer(builtins.object) |
| |
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : rosetta.protocols.jd2.MpiFileBuffer, file_buf_rank_ : int) -> NoneType
2. __init__(rosetta.protocols.jd2.MpiFileBuffer, rosetta.protocols.jd2.MpiFileBuffer) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.MpiFileBuffer, : rosetta.protocols.jd2.MpiFileBuffer) -> rosetta.protocols.jd2.MpiFileBuffer
- block_file(...) from builtins.PyCapsule
- block_file(self : rosetta.protocols.jd2.MpiFileBuffer, filename : str) -> NoneType
- close_file(...) from builtins.PyCapsule
- close_file(self : rosetta.protocols.jd2.MpiFileBuffer, fname : str) -> bool
- garbage_collection(...) from builtins.PyCapsule
- garbage_collection(rosetta.protocols.jd2.MpiFileBuffer) -> NoneType
- release_file(...) from builtins.PyCapsule
- release_file(self : rosetta.protocols.jd2.MpiFileBuffer, filename : str) -> NoneType
- run(...) from builtins.PyCapsule
- run(rosetta.protocols.jd2.MpiFileBuffer) -> NoneType
- set_SlaveCanOpenFile(...) from builtins.PyCapsule
- set_SlaveCanOpenFile(*args, **kwargs)
Overloaded function.
1. set_SlaveCanOpenFile(rosetta.protocols.jd2.MpiFileBuffer) -> NoneType
2. set_SlaveCanOpenFile(self : rosetta.protocols.jd2.MpiFileBuffer, setting : bool) -> NoneType
- stop(...) from builtins.PyCapsule
- stop(rosetta.protocols.jd2.MpiFileBuffer) -> NoneType
|
class MultiThreadingJob(Job) |
| |
- Method resolution order:
- MultiThreadingJob
- Job
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle, rosetta.protocols.jd2.MultiThreadingJob) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- multi_threading_inner_job(...) from builtins.PyCapsule
- multi_threading_inner_job(rosetta.protocols.jd2.MultiThreadingJob) -> rosetta.protocols.jd2.InnerMultiThreadingJob
Methods inherited from Job:
- __str__(...) from builtins.PyCapsule
- __str__(rosetta.protocols.jd2.Job) -> str
- add_string(...) from builtins.PyCapsule
- add_string(self : rosetta.protocols.jd2.Job, string_in : str) -> NoneType
add an output string
- add_string_real_pair(...) from builtins.PyCapsule
- add_string_real_pair(self : rosetta.protocols.jd2.Job, string_in : str, real_in : float) -> NoneType
add a string/real pair
- add_string_string_pair(...) from builtins.PyCapsule
- add_string_string_pair(self : rosetta.protocols.jd2.Job, string1 : str, string2 : str) -> NoneType
add a string/string pair
- add_strings(...) from builtins.PyCapsule
- add_strings(self : rosetta.protocols.jd2.Job, : rosetta.std.list_std_string_std_allocator_std_string_t) -> NoneType
add output strings
- bad(...) from builtins.PyCapsule
- bad(rosetta.protocols.jd2.Job) -> bool
- call_output_observers(...) from builtins.PyCapsule
- call_output_observers(self : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose) -> NoneType
- can_be_deleted(...) from builtins.PyCapsule
- can_be_deleted(rosetta.protocols.jd2.Job) -> bool
Returns true iff this job can be deleted to free up memory.
Should only be true if the job has completed, is bad, or has failed.
- clear_output(...) from builtins.PyCapsule
- clear_output(rosetta.protocols.jd2.Job) -> NoneType
Delete the output strings, string/string pairs, and string/real pairs.
- clone(...) from builtins.PyCapsule
- clone(rosetta.protocols.jd2.Job) -> rosetta.protocols.jd2.Job
Return an owning pointer to a copy of this object.
- completed(...) from builtins.PyCapsule
- completed(rosetta.protocols.jd2.Job) -> bool
- copy_without_output(...) from builtins.PyCapsule
- copy_without_output(rosetta.protocols.jd2.Job) -> rosetta.protocols.jd2.Job
returns a copy of this object whose "output fields" are zeroed
out. Used by the JobDistributor in cases where the job fails and must be
retried to prevent accumulation of Job state after a failure. This
implementation was chosen over a clear_all_output function to prevent
mover A from deleting mover B's hard work! You probably should not be
trying to call this function. The exception: If you want an
intermediate-output pose (not the final pose) to not have the aggregated
accessory data in the "real" Job object.
- elapsed_time(...) from builtins.PyCapsule
- elapsed_time(rosetta.protocols.jd2.Job) -> int
- end_time(...) from builtins.PyCapsule
- end_time(rosetta.protocols.jd2.Job) -> int
- end_timing(...) from builtins.PyCapsule
- end_timing(rosetta.protocols.jd2.Job) -> NoneType
- get_pose(...) from builtins.PyCapsule
- get_pose(*args, **kwargs)
Overloaded function.
1. get_pose(rosetta.protocols.jd2.Job) -> rosetta.core.pose.Pose
return a COP to the input pose
2. get_pose(self : rosetta.protocols.jd2.Job, : rosetta.core.pose.Pose) -> NoneType
in-place copy of input pose
- get_string_real_pairs(...) from builtins.PyCapsule
- get_string_real_pairs(rosetta.protocols.jd2.Job) -> rosetta.std.map_std_string_double
- get_string_string_pairs(...) from builtins.PyCapsule
- get_string_string_pairs(rosetta.protocols.jd2.Job) -> rosetta.std.map_std_string_std_string
- get_strings(...) from builtins.PyCapsule
- get_strings(rosetta.protocols.jd2.Job) -> rosetta.std.list_std_string_std_allocator_std_string_t
/////////////////////END SECTION//////////////////////////////////////////////////////////////////
- inner_job(...) from builtins.PyCapsule
- inner_job(rosetta.protocols.jd2.Job) -> protocols::jd2::InnerJob
access to inner-job ... use is discouraged - use sparingly!
--- DO NOT use my_job->inner_job()->get_pose()
INSTEAD use my_job->get_pose()
- inner_job_nonconst(...) from builtins.PyCapsule
- inner_job_nonconst(rosetta.protocols.jd2.Job) -> protocols::jd2::InnerJob
nonconst access is intended only for the JobInputter to load poses into the InnerJob, and the Parser to add constraints, and the JobDistributor to delete completed inputs (recycle memory)
- input_tag(...) from builtins.PyCapsule
- input_tag(rosetta.protocols.jd2.Job) -> str
return the input tag (a short string, generally)
- nstruct_index(...) from builtins.PyCapsule
- nstruct_index(rosetta.protocols.jd2.Job) -> int
- nstruct_max(...) from builtins.PyCapsule
- nstruct_max(rosetta.protocols.jd2.Job) -> int
- output_string_real_pairs_begin(...) from builtins.PyCapsule
- output_string_real_pairs_begin(rosetta.protocols.jd2.Job) -> std::_Rb_tree_const_iterator<std::pair<std::string const, double> >
- output_string_real_pairs_end(...) from builtins.PyCapsule
- output_string_real_pairs_end(rosetta.protocols.jd2.Job) -> std::_Rb_tree_const_iterator<std::pair<std::string const, double> >
- output_string_string_pairs_begin(...) from builtins.PyCapsule
- output_string_string_pairs_begin(rosetta.protocols.jd2.Job) -> std::_Rb_tree_const_iterator<std::pair<std::string const, std::string> >
- output_string_string_pairs_end(...) from builtins.PyCapsule
- output_string_string_pairs_end(rosetta.protocols.jd2.Job) -> std::_Rb_tree_const_iterator<std::pair<std::string const, std::string> >
- output_strings_begin(...) from builtins.PyCapsule
- output_strings_begin(rosetta.protocols.jd2.Job) -> std::_List_const_iterator<std::string>
/////////////////THIS SECTION OF FUNCTIONS IS FORBIDDEN FOR USE BY MOVERS//////////////////////////////////
- output_strings_end(...) from builtins.PyCapsule
- output_strings_end(rosetta.protocols.jd2.Job) -> std::_List_const_iterator<std::string>
- set_bad(...) from builtins.PyCapsule
- set_bad(*args, **kwargs)
Overloaded function.
1. set_bad(rosetta.protocols.jd2.Job) -> NoneType
2. set_bad(self : rosetta.protocols.jd2.Job, value : bool) -> NoneType
- set_can_be_deleted(...) from builtins.PyCapsule
- set_can_be_deleted(*args, **kwargs)
Overloaded function.
1. set_can_be_deleted(rosetta.protocols.jd2.Job) -> NoneType
Set whether this job can be deleted to free up memory.
2. set_can_be_deleted(self : rosetta.protocols.jd2.Job, value : bool) -> NoneType
Set whether this job can be deleted to free up memory.
- set_completed(...) from builtins.PyCapsule
- set_completed(*args, **kwargs)
Overloaded function.
1. set_completed(rosetta.protocols.jd2.Job) -> NoneType
2. set_completed(self : rosetta.protocols.jd2.Job, value : bool) -> NoneType
- set_status_prefix(...) from builtins.PyCapsule
- set_status_prefix(self : rosetta.protocols.jd2.Job, prefix : str) -> NoneType
- start_time(...) from builtins.PyCapsule
- start_time(rosetta.protocols.jd2.Job) -> int
- start_timing(...) from builtins.PyCapsule
- start_timing(rosetta.protocols.jd2.Job) -> NoneType
- status_prefix(...) from builtins.PyCapsule
- status_prefix(rosetta.protocols.jd2.Job) -> str
- timestamp(...) from builtins.PyCapsule
- timestamp(rosetta.protocols.jd2.Job) -> str
- to_do(...) from builtins.PyCapsule
- to_do(rosetta.protocols.jd2.Job) -> bool
|
class NoOutputJobOutputter(JobOutputter) |
|
the NoOutputJobOutputter class is responsible for NOT dealing with output |
|
- Method resolution order:
- NoOutputJobOutputter
- JobOutputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- file(...) from builtins.PyCapsule
- file(self : rosetta.protocols.jd2.NoOutputJobOutputter, : rosetta.protocols.jd2.Job, : str) -> NoneType
this function takes a string and writes it to disk (separately from Tracer output).
use some sort of extention option system - default .dat? .data?
- final_pose(...) from builtins.PyCapsule
- final_pose(self : rosetta.protocols.jd2.NoOutputJobOutputter, : rosetta.protocols.jd2.Job, : rosetta.core.pose.Pose, : str) -> NoneType
this function outputs the final result of a job.
- job_has_completed(...) from builtins.PyCapsule
- job_has_completed(self : rosetta.protocols.jd2.NoOutputJobOutputter, : rosetta.protocols.jd2.Job) -> bool
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.
- other_pose(...) from builtins.PyCapsule
- other_pose(self : rosetta.protocols.jd2.NoOutputJobOutputter, : rosetta.protocols.jd2.Job, : rosetta.core.pose.Pose, : str, : int, : bool) -> NoneType
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol.
- output_name(...) from builtins.PyCapsule
- output_name(self : rosetta.protocols.jd2.NoOutputJobOutputter, job : rosetta.protocols.jd2.Job) -> str
Methods inherited from JobOutputter:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
////////////////////////////// evaluator interface ////////////////////////////////////////////
- call_output_observers(...) from builtins.PyCapsule
- call_output_observers(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
call all output_observers
- clear_evaluators(...) from builtins.PyCapsule
- clear_evaluators(rosetta.protocols.jd2.JobOutputter) -> NoneType
- evaluate(...) from builtins.PyCapsule
- evaluate(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluators(...) from builtins.PyCapsule
- evaluators(rosetta.protocols.jd2.JobOutputter) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- filename(...) from builtins.PyCapsule
- filename(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.jd2.Job) -> str
- flush(...) from builtins.PyCapsule
- flush(rosetta.protocols.jd2.JobOutputter) -> NoneType
this function is meant to be redefined in child classes to allow for flushing of memory buffers.
Here's the long version: The SilentFileJobOutputter wanted to buffer output, but needed to guaruntee that
the output would be flushed at end of runtime. The original implementation was to A) bend over backward to ensure
that the destructor was run (JobOutputter lives inside static JobDistributor, which was previously not destructed
because it's static) and B) flush the buffers in the destructor. This caused a problem because the buffer-flushing
tried to use the Tracers, which had already been destructed...boom crash.
New solution: re-forbid use of destructors within the static JobDistributor system, and create a flush
function to force this stuff out. So here it is:
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.jd2.JobOutputter) -> NoneType
- set_evaluators(...) from builtins.PyCapsule
- set_evaluators(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- starting_pose(...) from builtins.PyCapsule
- starting_pose(self : rosetta.protocols.jd2.JobOutputter, : rosetta.core.pose.Pose) -> NoneType
optionally pass a starting (reference) pose to a JobOutputter for later comparison
purposes and/or as interface for initializing evaluators
|
class PDBJobInputter(JobInputter) |
|
This is the simplest implementation of JobInputter, which reads from -s/-l and PDB files. |
|
- Method resolution order:
- PDBJobInputter
- JobInputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.jd2.PDBJobInputter) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.PDBJobInputter, : rosetta.protocols.jd2.PDBJobInputter) -> rosetta.protocols.jd2.PDBJobInputter
- fill_jobs(...) from builtins.PyCapsule
- fill_jobs(self : rosetta.protocols.jd2.PDBJobInputter, jobs : rosetta.protocols.jd2.JobsContainer) -> NoneType
this function determines what jobs exist from -s/-l
- input_source(...) from builtins.PyCapsule
- input_source(rosetta.protocols.jd2.PDBJobInputter) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
Return the type of input source that the PDBJobInputter is currently
using.
Always PDB_FILE.
- pose_from_job(...) from builtins.PyCapsule
- pose_from_job(self : rosetta.protocols.jd2.PDBJobInputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
this function is responsible for filling the pose reference with the pose indicated by the job. The Job object (within its InnerJob) contains a PoseCOP. This function needs to either fill the pose reference from the InnerJob or, on first demand of a pose from that InnerJob, instantiate the pose, hand off a COP to the InnerJob, and fill the reference. This implementation uses pose_from_pdb
Methods inherited from JobInputter:
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self const owning pointers.
2. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self owning pointers.
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_const_protocols_jd2_JobInputter_t
Get self const weak pointers.
2. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_protocols_jd2_JobInputter_t
Get self weak pointers.
- job_inputter_input_source_to_string(...) from builtins.PyCapsule
- job_inputter_input_source_to_string(source : rosetta.protocols.jd2.JobInputterInputSource.Enum) -> str
call this with input_source() to get the input source of a
particular job inputter
- update_jobs_list(...) from builtins.PyCapsule
- update_jobs_list(self : rosetta.protocols.jd2.JobInputter, jobs : protocols::jd2::JobsContainer) -> NoneType
This function is only called by certain JobInputters to update the jobs list after it has already been created.
An example case would be the LargeNstructJobInputter, which uses this function to load additional jobs after the first N have started to come back.
- updates_jobs_list(...) from builtins.PyCapsule
- updates_jobs_list(rosetta.protocols.jd2.JobInputter) -> bool
Does this type of JobInputter update the jobs list?
False by default. Override this function in derived classes to make it true.
|
class PDBJobOutputter(FileJobOutputter) |
|
this simplest implementation of JobOutputter outputs raw PDBs and associated files, uncompressed. |
|
- Method resolution order:
- PDBJobOutputter
- FileJobOutputter
- JobOutputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- final_pose(...) from builtins.PyCapsule
- final_pose(self : rosetta.protocols.jd2.PDBJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str) -> NoneType
this function outputs the final result of a job. This implementation will write a PDB file (plus scores).
- job_has_completed(...) from builtins.PyCapsule
- job_has_completed(self : rosetta.protocols.jd2.PDBJobOutputter, job : rosetta.protocols.jd2.Job) -> bool
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.
- other_pose(...) from builtins.PyCapsule
- other_pose(*args, **kwargs)
Overloaded function.
1. other_pose(self : rosetta.protocols.jd2.PDBJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str) -> NoneType
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol. This implementation will write a PDB file (plus scores).
2. other_pose(self : rosetta.protocols.jd2.PDBJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str, copy_count : int) -> NoneType
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol. This implementation will write a PDB file (plus scores).
3. other_pose(self : rosetta.protocols.jd2.PDBJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str, copy_count : int, score_only : bool) -> NoneType
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol. This implementation will write a PDB file (plus scores).
- output_name(...) from builtins.PyCapsule
- output_name(self : rosetta.protocols.jd2.PDBJobOutputter, job : rosetta.protocols.jd2.Job) -> str
this is the master function for determining the unique output identifier for a job
Methods inherited from FileJobOutputter:
- file(...) from builtins.PyCapsule
- file(self : rosetta.protocols.jd2.FileJobOutputter, job : rosetta.protocols.jd2.Job, data : str) -> NoneType
this function takes a string and writes it to disk (separately from Tracer output).
- scorefile_name(...) from builtins.PyCapsule
- scorefile_name(rosetta.protocols.jd2.FileJobOutputter) -> rosetta.utility.file.FileName
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.jd2.FileJobOutputter) -> NoneType
- write_scorefile(...) from builtins.PyCapsule
- write_scorefile(rosetta.protocols.jd2.FileJobOutputter) -> bool
Methods inherited from JobOutputter:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
////////////////////////////// evaluator interface ////////////////////////////////////////////
- call_output_observers(...) from builtins.PyCapsule
- call_output_observers(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
call all output_observers
- clear_evaluators(...) from builtins.PyCapsule
- clear_evaluators(rosetta.protocols.jd2.JobOutputter) -> NoneType
- evaluate(...) from builtins.PyCapsule
- evaluate(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluators(...) from builtins.PyCapsule
- evaluators(rosetta.protocols.jd2.JobOutputter) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- filename(...) from builtins.PyCapsule
- filename(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.jd2.Job) -> str
- flush(...) from builtins.PyCapsule
- flush(rosetta.protocols.jd2.JobOutputter) -> NoneType
this function is meant to be redefined in child classes to allow for flushing of memory buffers.
Here's the long version: The SilentFileJobOutputter wanted to buffer output, but needed to guaruntee that
the output would be flushed at end of runtime. The original implementation was to A) bend over backward to ensure
that the destructor was run (JobOutputter lives inside static JobDistributor, which was previously not destructed
because it's static) and B) flush the buffers in the destructor. This caused a problem because the buffer-flushing
tried to use the Tracers, which had already been destructed...boom crash.
New solution: re-forbid use of destructors within the static JobDistributor system, and create a flush
function to force this stuff out. So here it is:
- set_evaluators(...) from builtins.PyCapsule
- set_evaluators(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- starting_pose(...) from builtins.PyCapsule
- starting_pose(self : rosetta.protocols.jd2.JobOutputter, : rosetta.core.pose.Pose) -> NoneType
optionally pass a starting (reference) pose to a JobOutputter for later comparison
purposes and/or as interface for initializing evaluators
|
class Parser(builtins.object) |
|
the Parser class can create a protocol (made of Movers) from an XML
file. This interface class describes its functionality for the August '08
job distributor. |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(rosetta.protocols.jd2.Parser) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.Parser, : rosetta.protocols.jd2.Parser) -> rosetta.protocols.jd2.Parser
- generate_mover_from_job(...) from builtins.PyCapsule
- generate_mover_from_job(*args, **kwargs)
Overloaded function.
1. generate_mover_from_job(self : rosetta.protocols.jd2.Parser, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, mover : rosetta.protocols.moves.Mover, new_input : bool) -> NoneType
generate_mover_from_job is the function called by the job
distributor to request a mover. It is defined in the base class (this
class) and handles unpackaging the job and passes the work to
generate_mover_from_pose. The pose is repackaged into the JobOP so that
jobs starting off that pose are properly modified.
this is the job we're working on (contains the input pose)
The pose that will be used in this job.
this is a mover pointer reference; the function can choose
to overwrite the input with a new mover
true if this is different input (a different pose)
from the last job distributor cycle
is true if the Parser is allowed to rewrite
the Pose inside the input Job after generate_mover_from_pose has
modified it.
true if the input mover should be replaced
reguardless of whether or not new_input is true.
2. generate_mover_from_job(self : rosetta.protocols.jd2.Parser, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, mover : rosetta.protocols.moves.Mover, new_input : bool, allow_job_update : bool) -> NoneType
generate_mover_from_job is the function called by the job
distributor to request a mover. It is defined in the base class (this
class) and handles unpackaging the job and passes the work to
generate_mover_from_pose. The pose is repackaged into the JobOP so that
jobs starting off that pose are properly modified.
this is the job we're working on (contains the input pose)
The pose that will be used in this job.
this is a mover pointer reference; the function can choose
to overwrite the input with a new mover
true if this is different input (a different pose)
from the last job distributor cycle
is true if the Parser is allowed to rewrite
the Pose inside the input Job after generate_mover_from_pose has
modified it.
true if the input mover should be replaced
reguardless of whether or not new_input is true.
3. generate_mover_from_job(self : rosetta.protocols.jd2.Parser, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, mover : rosetta.protocols.moves.Mover, new_input : bool, allow_job_update : bool, guarantee_new_mover : bool) -> NoneType
generate_mover_from_job is the function called by the job
distributor to request a mover. It is defined in the base class (this
class) and handles unpackaging the job and passes the work to
generate_mover_from_pose. The pose is repackaged into the JobOP so that
jobs starting off that pose are properly modified.
this is the job we're working on (contains the input pose)
The pose that will be used in this job.
this is a mover pointer reference; the function can choose
to overwrite the input with a new mover
true if this is different input (a different pose)
from the last job distributor cycle
is true if the Parser is allowed to rewrite
the Pose inside the input Job after generate_mover_from_pose has
modified it.
true if the input mover should be replaced
reguardless of whether or not new_input is true.
- generate_mover_from_pose(...) from builtins.PyCapsule
- generate_mover_from_pose(*args, **kwargs)
Overloaded function.
1. generate_mover_from_pose(self : rosetta.protocols.jd2.Parser, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, mover : rosetta.protocols.moves.Mover, new_input : bool, xml_file : str) -> bool
generate_mover_from_pose is overloaded by derived classes to parse
as desired. The pose is passed by nonconst reference - the function is
thus allowed to modify this pose (preferably not at all, but by adding
constraints if necessary). This pose will stay modified for jobs starting
off that pose. The function is expected to use its return bool to signal
whether the pose has changed or not (and thus whether it needs to be
repackaged back into the InnerJob). This function should return
IMMEDIATELY with false if it chooses not to modify the mover or pose.
job this is the job we're working on (contains the
input pose's name)
this is the "starting pose" for a series of jobs; the
function is allowed to modify it by adding constraints if
necessary
this is a mover; the function can choose to overwrite
the input with a new mover
new_input true if this is different input (a different
pose) from the last job distributor cycle
the return value states whether or not the pose has
been changed - it will be repackaged into the InnerJob only
as necessary
2. generate_mover_from_pose(self : rosetta.protocols.jd2.Parser, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, mover : rosetta.protocols.moves.Mover, new_input : bool, xml_file : str, guarantee_new_mover : bool) -> bool
generate_mover_from_pose is overloaded by derived classes to parse
as desired. The pose is passed by nonconst reference - the function is
thus allowed to modify this pose (preferably not at all, but by adding
constraints if necessary). This pose will stay modified for jobs starting
off that pose. The function is expected to use its return bool to signal
whether the pose has changed or not (and thus whether it needs to be
repackaged back into the InnerJob). This function should return
IMMEDIATELY with false if it chooses not to modify the mover or pose.
job this is the job we're working on (contains the
input pose's name)
this is the "starting pose" for a series of jobs; the
function is allowed to modify it by adding constraints if
necessary
this is a mover; the function can choose to overwrite
the input with a new mover
new_input true if this is different input (a different
pose) from the last job distributor cycle
the return value states whether or not the pose has
been changed - it will be repackaged into the InnerJob only
as necessary
|
class PoseInputStreamJobInputter(JobInputter) |
|
This is the simplest implementation of JobInputter, which reads from -s/-l and SilentFile files. |
|
- Method resolution order:
- PoseInputStreamJobInputter
- JobInputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.jd2.PoseInputStreamJobInputter) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.PoseInputStreamJobInputter, : rosetta.protocols.jd2.PoseInputStreamJobInputter) -> rosetta.protocols.jd2.PoseInputStreamJobInputter
- fill_jobs(...) from builtins.PyCapsule
- fill_jobs(self : rosetta.protocols.jd2.PoseInputStreamJobInputter, jobs : rosetta.protocols.jd2.JobsContainer) -> NoneType
- input_source(...) from builtins.PyCapsule
- input_source(rosetta.protocols.jd2.PoseInputStreamJobInputter) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
Return the type of input source that the PoseInputStreamJobInputter is currently
using.
- pose_from_job(...) from builtins.PyCapsule
- pose_from_job(self : rosetta.protocols.jd2.PoseInputStreamJobInputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
This implementation simply calls fill_pose on the PoseInputStream
object.
Methods inherited from JobInputter:
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self const owning pointers.
2. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self owning pointers.
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_const_protocols_jd2_JobInputter_t
Get self const weak pointers.
2. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_protocols_jd2_JobInputter_t
Get self weak pointers.
- job_inputter_input_source_to_string(...) from builtins.PyCapsule
- job_inputter_input_source_to_string(source : rosetta.protocols.jd2.JobInputterInputSource.Enum) -> str
call this with input_source() to get the input source of a
particular job inputter
- update_jobs_list(...) from builtins.PyCapsule
- update_jobs_list(self : rosetta.protocols.jd2.JobInputter, jobs : protocols::jd2::JobsContainer) -> NoneType
This function is only called by certain JobInputters to update the jobs list after it has already been created.
An example case would be the LargeNstructJobInputter, which uses this function to load additional jobs after the first N have started to come back.
- updates_jobs_list(...) from builtins.PyCapsule
- updates_jobs_list(rosetta.protocols.jd2.JobInputter) -> bool
Does this type of JobInputter update the jobs list?
False by default. Override this function in derived classes to make it true.
|
class ScoreOnlyJobOutputter(FileJobOutputter) |
|
Joboutputter that only outputs score files, useful for screening protocols |
|
- Method resolution order:
- ScoreOnlyJobOutputter
- FileJobOutputter
- JobOutputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- final_pose(...) from builtins.PyCapsule
- final_pose(self : rosetta.protocols.jd2.ScoreOnlyJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str) -> NoneType
this function outputs the final result of a job.
- job_has_completed(...) from builtins.PyCapsule
- job_has_completed(self : rosetta.protocols.jd2.ScoreOnlyJobOutputter, job : rosetta.protocols.jd2.Job) -> bool
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.
- other_pose(...) from builtins.PyCapsule
- other_pose(*args, **kwargs)
Overloaded function.
1. other_pose(self : rosetta.protocols.jd2.ScoreOnlyJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str) -> NoneType
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol.
2. other_pose(self : rosetta.protocols.jd2.ScoreOnlyJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str, copy_count : int) -> NoneType
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol.
3. other_pose(self : rosetta.protocols.jd2.ScoreOnlyJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str, copy_count : int, score_only : bool) -> NoneType
this function is intended for saving mid-protocol poses; for example the final centroid structure in a combined centroid/fullatom protocol.
- output_name(...) from builtins.PyCapsule
- output_name(self : rosetta.protocols.jd2.ScoreOnlyJobOutputter, job : rosetta.protocols.jd2.Job) -> str
Methods inherited from FileJobOutputter:
- file(...) from builtins.PyCapsule
- file(self : rosetta.protocols.jd2.FileJobOutputter, job : rosetta.protocols.jd2.Job, data : str) -> NoneType
this function takes a string and writes it to disk (separately from Tracer output).
- scorefile_name(...) from builtins.PyCapsule
- scorefile_name(rosetta.protocols.jd2.FileJobOutputter) -> rosetta.utility.file.FileName
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.jd2.FileJobOutputter) -> NoneType
- write_scorefile(...) from builtins.PyCapsule
- write_scorefile(rosetta.protocols.jd2.FileJobOutputter) -> bool
Methods inherited from JobOutputter:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
////////////////////////////// evaluator interface ////////////////////////////////////////////
- call_output_observers(...) from builtins.PyCapsule
- call_output_observers(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
call all output_observers
- clear_evaluators(...) from builtins.PyCapsule
- clear_evaluators(rosetta.protocols.jd2.JobOutputter) -> NoneType
- evaluate(...) from builtins.PyCapsule
- evaluate(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluators(...) from builtins.PyCapsule
- evaluators(rosetta.protocols.jd2.JobOutputter) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- filename(...) from builtins.PyCapsule
- filename(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.jd2.Job) -> str
- flush(...) from builtins.PyCapsule
- flush(rosetta.protocols.jd2.JobOutputter) -> NoneType
this function is meant to be redefined in child classes to allow for flushing of memory buffers.
Here's the long version: The SilentFileJobOutputter wanted to buffer output, but needed to guaruntee that
the output would be flushed at end of runtime. The original implementation was to A) bend over backward to ensure
that the destructor was run (JobOutputter lives inside static JobDistributor, which was previously not destructed
because it's static) and B) flush the buffers in the destructor. This caused a problem because the buffer-flushing
tried to use the Tracers, which had already been destructed...boom crash.
New solution: re-forbid use of destructors within the static JobDistributor system, and create a flush
function to force this stuff out. So here it is:
- set_evaluators(...) from builtins.PyCapsule
- set_evaluators(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- starting_pose(...) from builtins.PyCapsule
- starting_pose(self : rosetta.protocols.jd2.JobOutputter, : rosetta.core.pose.Pose) -> NoneType
optionally pass a starting (reference) pose to a JobOutputter for later comparison
purposes and/or as interface for initializing evaluators
|
class ScreeningJobInputter(JobInputter) |
| |
- Method resolution order:
- ScreeningJobInputter
- JobInputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.jd2.ScreeningJobInputter) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.ScreeningJobInputter, : rosetta.protocols.jd2.ScreeningJobInputter) -> rosetta.protocols.jd2.ScreeningJobInputter
- fill_jobs(...) from builtins.PyCapsule
- fill_jobs(self : rosetta.protocols.jd2.ScreeningJobInputter, jobs : rosetta.protocols.jd2.JobsContainer) -> NoneType
fill the jobs based on the specified json file
- input_source(...) from builtins.PyCapsule
- input_source(rosetta.protocols.jd2.ScreeningJobInputter) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
return the input source
- pose_from_job(...) from builtins.PyCapsule
- pose_from_job(self : rosetta.protocols.jd2.ScreeningJobInputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
Fill the pose reference with the pose indicated by the job
Methods inherited from JobInputter:
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self const owning pointers.
2. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self owning pointers.
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_const_protocols_jd2_JobInputter_t
Get self const weak pointers.
2. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_protocols_jd2_JobInputter_t
Get self weak pointers.
- job_inputter_input_source_to_string(...) from builtins.PyCapsule
- job_inputter_input_source_to_string(source : rosetta.protocols.jd2.JobInputterInputSource.Enum) -> str
call this with input_source() to get the input source of a
particular job inputter
- update_jobs_list(...) from builtins.PyCapsule
- update_jobs_list(self : rosetta.protocols.jd2.JobInputter, jobs : protocols::jd2::JobsContainer) -> NoneType
This function is only called by certain JobInputters to update the jobs list after it has already been created.
An example case would be the LargeNstructJobInputter, which uses this function to load additional jobs after the first N have started to come back.
- updates_jobs_list(...) from builtins.PyCapsule
- updates_jobs_list(rosetta.protocols.jd2.JobInputter) -> bool
Does this type of JobInputter update the jobs list?
False by default. Override this function in derived classes to make it true.
|
class ShuffleFileSystemJobDistributor(FileSystemJobDistributor) |
| |
- Method resolution order:
- ShuffleFileSystemJobDistributor
- FileSystemJobDistributor
- JobDistributor
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle, rosetta.protocols.jd2.ShuffleFileSystemJobDistributor) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.ShuffleFileSystemJobDistributor, : rosetta.protocols.jd2.ShuffleFileSystemJobDistributor) -> rosetta.protocols.jd2.ShuffleFileSystemJobDistributor
- get_new_job_id(...) from builtins.PyCapsule
- get_new_job_id(rosetta.protocols.jd2.ShuffleFileSystemJobDistributor) -> int
- mark_current_job_id_for_repetition(...) from builtins.PyCapsule
- mark_current_job_id_for_repetition(rosetta.protocols.jd2.ShuffleFileSystemJobDistributor) -> NoneType
- next_random_job(...) from builtins.PyCapsule
- next_random_job(rosetta.protocols.jd2.ShuffleFileSystemJobDistributor) -> int
Methods inherited from FileSystemJobDistributor:
- current_job_finished(...) from builtins.PyCapsule
- current_job_finished(rosetta.protocols.jd2.FileSystemJobDistributor) -> NoneType
- go(...) from builtins.PyCapsule
- go(self : rosetta.protocols.jd2.FileSystemJobDistributor, mover : rosetta.protocols.moves.Mover) -> NoneType
- remove_bad_inputs_from_job_list(...) from builtins.PyCapsule
- remove_bad_inputs_from_job_list(rosetta.protocols.jd2.FileSystemJobDistributor) -> NoneType
- restart(...) from builtins.PyCapsule
- restart(rosetta.protocols.jd2.FileSystemJobDistributor) -> NoneType
Methods inherited from JobDistributor:
- add_batch(...) from builtins.PyCapsule
- add_batch(*args, **kwargs)
Overloaded function.
1. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str) -> NoneType
add a new batch ( name will be interpreted as flag_file )
2. add_batch(self : rosetta.protocols.jd2.JobDistributor, : str, id : int) -> NoneType
add a new batch ( name will be interpreted as flag_file )
- current_batch_id(...) from builtins.PyCapsule
- current_batch_id(rosetta.protocols.jd2.JobDistributor) -> int
what is the current batch number ? --- refers to position in batches_
- current_job(...) from builtins.PyCapsule
- current_job(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.Job
Movers may ask their controlling job distributor for information about the current job.
They may also write information to this job for later output, though this use is now discouraged
as the addition of the MultiplePoseMover now means that a single job may include several
separate trajectories.
- current_job_id(...) from builtins.PyCapsule
- current_job_id(rosetta.protocols.jd2.JobDistributor) -> int
integer access - which job are we on?
- current_output_name(...) from builtins.PyCapsule
- current_output_name(rosetta.protocols.jd2.JobDistributor) -> str
Movers may ask their controlling job distributor for the output name as defined by the Job and JobOutputter.
- get_current_batch(...) from builtins.PyCapsule
- get_current_batch(rosetta.protocols.jd2.JobDistributor) -> str
what is the current batch ? --- name refers to the flag-file used for this batch
- get_instance(...) from builtins.PyCapsule
- get_instance() -> rosetta.protocols.jd2.JobDistributor
- job_inputter(...) from builtins.PyCapsule
- job_inputter(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputter
JobInputter access
- job_inputter_input_source(...) from builtins.PyCapsule
- job_inputter_input_source(rosetta.protocols.jd2.JobDistributor) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
The input source for the current JobInputter.
- job_outputter(...) from builtins.PyCapsule
- job_outputter(rosetta.protocols.jd2.JobDistributor) -> protocols::jd2::JobOutputter
Movers (or derived classes) may ask for the JobOutputter
- mpi_finalize(...) from builtins.PyCapsule
- mpi_finalize(self : rosetta.protocols.jd2.JobDistributor, finalize : bool) -> NoneType
should the go() function call MPI_finalize()? It probably should, this is true by default.
- set_job_inputter(...) from builtins.PyCapsule
- set_job_inputter(self : rosetta.protocols.jd2.JobDistributor, new_job_inputter : rosetta.protocols.jd2.JobInputter) -> NoneType
Set the JobInputter and reset the Job list -- this is not something you want to do
after go() has been called, but before it has returned.
- set_job_outputter(...) from builtins.PyCapsule
- set_job_outputter(self : rosetta.protocols.jd2.JobDistributor, new_job_outputter : protocols::jd2::JobOutputter) -> NoneType
Movers (or derived classes) may ask for the JobOutputter
- total_nr_jobs(...) from builtins.PyCapsule
- total_nr_jobs(rosetta.protocols.jd2.JobDistributor) -> int
|
class SilentFileJobInputter(JobInputter) |
|
This is the simplest implementation of JobInputter, which reads from -s/-l and SilentFile files. |
|
- Method resolution order:
- SilentFileJobInputter
- JobInputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(handle) -> NoneType
2. __init__(handle, rosetta.protocols.jd2.SilentFileJobInputter) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.SilentFileJobInputter, : rosetta.protocols.jd2.SilentFileJobInputter) -> rosetta.protocols.jd2.SilentFileJobInputter
- fill_jobs(...) from builtins.PyCapsule
- fill_jobs(self : rosetta.protocols.jd2.SilentFileJobInputter, jobs : rosetta.protocols.jd2.JobsContainer) -> NoneType
this function determines what jobs exist from -in::file::silent and
-in::file::tags.
- input_source(...) from builtins.PyCapsule
- input_source(rosetta.protocols.jd2.SilentFileJobInputter) -> rosetta.protocols.jd2.JobInputterInputSource.Enum
Return the type of input source that the SilentFileJobInputter is currently
using.
Always SILENT_FILE.
- pose_from_job(...) from builtins.PyCapsule
- pose_from_job(self : rosetta.protocols.jd2.SilentFileJobInputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
this function is responsible for filling the pose reference with
the pose indicated by the job. The Job object (within its InnerJob)
contains a PoseCOP. This function needs to either fill the pose
reference from the InnerJob or, on first demand of a pose from that
InnerJob, instantiate the pose, hand off a COP to the InnerJob, and fill
the reference. This implementation uses pose_from_pdb
- silent_file_data(...) from builtins.PyCapsule
- silent_file_data(rosetta.protocols.jd2.SilentFileJobInputter) -> rosetta.core.io.silent.SilentFileData
- struct_from_job(...) from builtins.PyCapsule
- struct_from_job(self : rosetta.protocols.jd2.SilentFileJobInputter, job : rosetta.protocols.jd2.Job) -> rosetta.core.io.silent.SilentStruct
this function returns the SilentStruct that belongs to the given job
Methods inherited from JobInputter:
- get_self_ptr(...) from builtins.PyCapsule
- get_self_ptr(*args, **kwargs)
Overloaded function.
1. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self const owning pointers.
2. get_self_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.protocols.jd2.JobInputter
Get self owning pointers.
- get_self_weak_ptr(...) from builtins.PyCapsule
- get_self_weak_ptr(*args, **kwargs)
Overloaded function.
1. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_const_protocols_jd2_JobInputter_t
Get self const weak pointers.
2. get_self_weak_ptr(rosetta.protocols.jd2.JobInputter) -> rosetta.std.weak_ptr_protocols_jd2_JobInputter_t
Get self weak pointers.
- job_inputter_input_source_to_string(...) from builtins.PyCapsule
- job_inputter_input_source_to_string(source : rosetta.protocols.jd2.JobInputterInputSource.Enum) -> str
call this with input_source() to get the input source of a
particular job inputter
- update_jobs_list(...) from builtins.PyCapsule
- update_jobs_list(self : rosetta.protocols.jd2.JobInputter, jobs : protocols::jd2::JobsContainer) -> NoneType
This function is only called by certain JobInputters to update the jobs list after it has already been created.
An example case would be the LargeNstructJobInputter, which uses this function to load additional jobs after the first N have started to come back.
- updates_jobs_list(...) from builtins.PyCapsule
- updates_jobs_list(rosetta.protocols.jd2.JobInputter) -> bool
Does this type of JobInputter update the jobs list?
False by default. Override this function in derived classes to make it true.
|
class SilentFileJobOutputter(FileJobOutputter) |
|
this is a implementation of JobOutputter for silent-file-based output. |
|
- Method resolution order:
- SilentFileJobOutputter
- FileJobOutputter
- JobOutputter
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(handle) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- filename(...) from builtins.PyCapsule
- filename(self : rosetta.protocols.jd2.SilentFileJobOutputter, : rosetta.protocols.jd2.Job) -> str
- final_pose(...) from builtins.PyCapsule
- final_pose(self : rosetta.protocols.jd2.SilentFileJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str) -> NoneType
///////////////////////////creating output functions/////////////////////////////////////////
this function outputs the final result of a job.
- flush(...) from builtins.PyCapsule
- flush(rosetta.protocols.jd2.SilentFileJobOutputter) -> NoneType
this function flushes any internal buffers - see parent class for explanation
- job_has_completed(...) from builtins.PyCapsule
- job_has_completed(self : rosetta.protocols.jd2.SilentFileJobOutputter, job : rosetta.protocols.jd2.Job) -> bool
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.
- other_pose(...) from builtins.PyCapsule
- other_pose(*args, **kwargs)
Overloaded function.
1. other_pose(self : rosetta.protocols.jd2.SilentFileJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str) -> NoneType
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
2. other_pose(self : rosetta.protocols.jd2.SilentFileJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str, copy_count : int) -> NoneType
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
3. other_pose(self : rosetta.protocols.jd2.SilentFileJobOutputter, job : rosetta.protocols.jd2.Job, pose : rosetta.core.pose.Pose, tag : str, copy_count : int, score_only : bool) -> NoneType
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
- output_name(...) from builtins.PyCapsule
- output_name(self : rosetta.protocols.jd2.SilentFileJobOutputter, job : rosetta.protocols.jd2.Job) -> str
this is the master function for determining the
unique output identifier for a job
- set_forced_silent_struct_type(...) from builtins.PyCapsule
- set_forced_silent_struct_type(self : rosetta.protocols.jd2.SilentFileJobOutputter, : str) -> NoneType
- set_silent_file_name(...) from builtins.PyCapsule
- set_silent_file_name(self : rosetta.protocols.jd2.SilentFileJobOutputter, name : rosetta.utility.file.FileName) -> NoneType
- set_write_no_structures(...) from builtins.PyCapsule
- set_write_no_structures(*args, **kwargs)
Overloaded function.
1. set_write_no_structures(rosetta.protocols.jd2.SilentFileJobOutputter) -> NoneType
2. set_write_no_structures(self : rosetta.protocols.jd2.SilentFileJobOutputter, value : bool) -> NoneType
- set_write_separate_scorefile(...) from builtins.PyCapsule
- set_write_separate_scorefile(self : rosetta.protocols.jd2.SilentFileJobOutputter, write_separate_scorefile : bool) -> NoneType
Methods inherited from FileJobOutputter:
- file(...) from builtins.PyCapsule
- file(self : rosetta.protocols.jd2.FileJobOutputter, job : rosetta.protocols.jd2.Job, data : str) -> NoneType
this function takes a string and writes it to disk (separately from Tracer output).
- scorefile_name(...) from builtins.PyCapsule
- scorefile_name(rosetta.protocols.jd2.FileJobOutputter) -> rosetta.utility.file.FileName
- set_defaults(...) from builtins.PyCapsule
- set_defaults(rosetta.protocols.jd2.FileJobOutputter) -> NoneType
- write_scorefile(...) from builtins.PyCapsule
- write_scorefile(rosetta.protocols.jd2.FileJobOutputter) -> bool
Methods inherited from JobOutputter:
- add_evaluation(...) from builtins.PyCapsule
- add_evaluation(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.PoseEvaluator) -> NoneType
////////////////////////////// evaluator interface ////////////////////////////////////////////
- call_output_observers(...) from builtins.PyCapsule
- call_output_observers(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, job : rosetta.protocols.jd2.Job) -> NoneType
call all output_observers
- clear_evaluators(...) from builtins.PyCapsule
- clear_evaluators(rosetta.protocols.jd2.JobOutputter) -> NoneType
- evaluate(...) from builtins.PyCapsule
- evaluate(self : rosetta.protocols.jd2.JobOutputter, pose : rosetta.core.pose.Pose, tag : str, pss : rosetta.core.io.silent.SilentStruct) -> NoneType
- evaluators(...) from builtins.PyCapsule
- evaluators(rosetta.protocols.jd2.JobOutputter) -> rosetta.protocols.evaluation.MetaPoseEvaluator
- set_evaluators(...) from builtins.PyCapsule
- set_evaluators(self : rosetta.protocols.jd2.JobOutputter, : rosetta.protocols.evaluation.MetaPoseEvaluator) -> NoneType
- starting_pose(...) from builtins.PyCapsule
- starting_pose(self : rosetta.protocols.jd2.JobOutputter, : rosetta.core.pose.Pose) -> NoneType
optionally pass a starting (reference) pose to a JobOutputter for later comparison
purposes and/or as interface for initializing evaluators
|
class SingleFileBuffer(builtins.object) |
|
this is a implementation of Buffer for silent-file-based output. |
|
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(*args, **kwargs)
Overloaded function.
1. __init__(self : handle, filename : str, channel : int, status : int) -> NoneType
2. __init__(handle, rosetta.protocols.jd2.SingleFileBuffer) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.SingleFileBuffer, : rosetta.protocols.jd2.SingleFileBuffer) -> rosetta.protocols.jd2.SingleFileBuffer
- block(...) from builtins.PyCapsule
- block(self : rosetta.protocols.jd2.SingleFileBuffer, slave : int) -> NoneType
- close(...) from builtins.PyCapsule
- close(self : rosetta.protocols.jd2.SingleFileBuffer, slave : int) -> NoneType
- filename(...) from builtins.PyCapsule
- filename(rosetta.protocols.jd2.SingleFileBuffer) -> str
- flush(...) from builtins.PyCapsule
- flush(self : rosetta.protocols.jd2.SingleFileBuffer, slave : int) -> NoneType
- has_open_slaves(...) from builtins.PyCapsule
- has_open_slaves(rosetta.protocols.jd2.SingleFileBuffer) -> bool
- length(...) from builtins.PyCapsule
- length(self : rosetta.protocols.jd2.SingleFileBuffer, slave : int) -> int
- nr_open_slaves(...) from builtins.PyCapsule
- nr_open_slaves(rosetta.protocols.jd2.SingleFileBuffer) -> int
- store_line(...) from builtins.PyCapsule
- store_line(self : rosetta.protocols.jd2.SingleFileBuffer, slave : int, channel : int, line : str) -> NoneType
- write_lines(...) from builtins.PyCapsule
- write_lines(self : rosetta.protocols.jd2.SingleFileBuffer, : rosetta.utility.vector1_std_string) -> NoneType
|
class WriteFileSFB(SingleFileBuffer) |
| |
- Method resolution order:
- WriteFileSFB
- SingleFileBuffer
- builtins.object
Methods defined here:
- __init__(...) from builtins.PyCapsule
- __init__(self : handle, filename : str, channel : int, append : bool, status : int) -> NoneType
- __new__(*args, **kwargs) from builtins.type
- Create and return a new object. See help(type) for accurate signature.
- block(...) from builtins.PyCapsule
- block(self : rosetta.protocols.jd2.WriteFileSFB, slave : int) -> NoneType
- write_lines(...) from builtins.PyCapsule
- write_lines(self : rosetta.protocols.jd2.WriteFileSFB, : rosetta.utility.vector1_std_string) -> NoneType
Methods inherited from SingleFileBuffer:
- assign(...) from builtins.PyCapsule
- assign(self : rosetta.protocols.jd2.SingleFileBuffer, : rosetta.protocols.jd2.SingleFileBuffer) -> rosetta.protocols.jd2.SingleFileBuffer
- close(...) from builtins.PyCapsule
- close(self : rosetta.protocols.jd2.SingleFileBuffer, slave : int) -> NoneType
- filename(...) from builtins.PyCapsule
- filename(rosetta.protocols.jd2.SingleFileBuffer) -> str
- flush(...) from builtins.PyCapsule
- flush(self : rosetta.protocols.jd2.SingleFileBuffer, slave : int) -> NoneType
- has_open_slaves(...) from builtins.PyCapsule
- has_open_slaves(rosetta.protocols.jd2.SingleFileBuffer) -> bool
- length(...) from builtins.PyCapsule
- length(self : rosetta.protocols.jd2.SingleFileBuffer, slave : int) -> int
- nr_open_slaves(...) from builtins.PyCapsule
- nr_open_slaves(rosetta.protocols.jd2.SingleFileBuffer) -> int
- store_line(...) from builtins.PyCapsule
- store_line(self : rosetta.protocols.jd2.SingleFileBuffer, slave : int, channel : int, line : str) -> NoneType
|
|