Inheritance diagram for pyrosetta.bindings.scores.core.PoseCacheAccessor:

[legend]

Public Member Functions
def	__init__ (self, pose)

def	extra (self)

def	metrics (self)

def	energies (self)

def	all_scores (self)

def	all_keys (self)

def	assert_unique_keys (self)

def	all (self)

def	__getitem__ (self, key)

def	__setitem__ (self, key, value)

def	__delitem__ (self, key)

def	clear (self)

Public Member Functions inherited from pyrosetta.bindings.scores.base.PoseCacheAccessorBase
def	apply (self, metric, key, value)

def	__len__ (self)

def	__iter__ (self)

def	__str__ (self)

Static Private Attributes
tuple	__slots__ = ("pose",)

Additional Inherited Members
Static Public Member Functions inherited from pyrosetta.bindings.scores.serialization.PoseScoreSerializer
def	maybe_encode (value)

def	maybe_decode (value)

Static Public Member Functions inherited from pyrosetta.bindings.scores.serialization.PoseScoreSerializerBase
def	to_pickle (value)

def	from_pickle (value)

def	to_base64 (value)

def	from_base64 (value)

def	to_base64_pickle (value)

def	from_base64_pickle (value)

def	bool_from_str (value)

Public Attributes inherited from pyrosetta.bindings.scores.base.PoseCacheAccessorBase
	pose

	custom_real_value_metric

	custom_string_value_metric

Detailed Description

Accessor wrapper for pose energies, SimpleMetrics data, and arbitrary extra score data.

The `Pose.cache` dictionary has a nested namespace structure wherein each layer has the ability to access,
set, and delete pose score data, with the outermost layers providing warnings if data from the innermost layers
get clobbered once combined. The `Pose.cache` dictionary also uses serialization to dynamically store/retrieve
arbitrary python objects to/from base64-encoded pickled byte streams, and stores/retrieves `float` and `str`
objects without serialization.

Examples:

Get score dictionaries:
    - Return nested, read-only dictionaries of all cached score data:
        `pose.cache.all_scores`
    - Return a flattened, read-only dictionary of all cached score data (with clobber warnings):
        `pose.cache`
    - Return a flattened, read-only dictionary of all SimpleMetric data (with clobber warnings):
        `pose.cache.metrics`
    - Return a flattened, read-only dictionary of all arbitrary extra float and extra string score data (with clobber warnings):
        `pose.cache.extra`
    - Return a read-only dictionary of active total energies:
        `pose.cache.energies`

Get a score value:
    - Return the value of a key from any `pose.cache.extra`, `pose.cache.metrics`, or `pose.cache.energies` dictionary
        (from lowest to highest precedence, respectively, with clobber warnings):
            `pose.cache["key"]`

    From arbitrary extra score data:
        - Return the value of a key from arbitrary extra float or extra string score data (with clobber warnings):
            `pose.cache.extra["key"]`
        - Return the value of a key from arbitrary extra float score data:
            `pose.cache.extra.real["key"]`
        - Return the value of a key from arbitrary extra string score data:
            `pose.cache.extra.string["key"]`

    From SimpleMetric data:
        - Return the value of a key from any SimpleMetric data (with clobber warnings):
            `pose.cache.metrics["key"]`
        - Return the value of a key from SimpleMetric real metric data:
            `pose.cache.metrics.real["key"]`
        - Return the value of a key from SimpleMetric string metric data:
            `pose.cache.metrics.string["key"]`
        - Return the value of a key from SimpleMetric composite real metric data:
            `pose.cache.metrics.composite_real["key"]`
        - Return the value of a key from SimpleMetric composite string metric data:
            `pose.cache.metrics.composite_string["key"]`
        - Return the value of a key from SimpleMetric per-residue real metric data:
            `pose.cache.metrics.per_residue_real["key"]`
        - Return the value of a key from SimpleMetric per-residue string metric data:
            `pose.cache.metrics.per_residue_string["key"]`
        - Return the value of a key from SimpleMetric per-residue probabilities metric data:
            `pose.cache.metrics.per_residue_probabilities["key"]`

    From active total energies:
        - Return the value of a key from any active energy scoretype in the pose:
            `pose.cache.energies["key"]`

Set a score value:
    To SimpleMetric data:
        - Set a key/value pair as a `CustomRealValueMetric` or `CustomStringValueMetric` with automatic type checking:
            `pose.cache["key"] = value`
            `pose.cache.metrics["key"] = value`
        - Set a key/value pair as a `CustomRealValueMetric`:
            `pose.cache.metrics.real["key"] = value`
        - Set a key/value pair as a `CustomStringValueMetric`:
            `pose.cache.metrics.string["key"] = value`

    To arbitrary extra score data:
        - Set a key/value pair as an arbitrary extra float or string score with automatic type checking:
            `pose.cache.extra["key"]`
        - Set a key/value pair as an arbitrary extra real score:
            `pose.cache.extra.real["key"]`
        - Set a key/value pair as an arbitrary extra string score:
            `pose.cache.extra.string["key"]`

Delete data:
    - Clear all cached score data:
        `pose.cache.clear()`
    - Clear all SimpleMetric data:
        `pose.cache.metrics.clear()`
    - Clear all arbitrary extra float and string score data:
        `pose.cache.extra.clear()`
    - Clear a single key/value pair:
        `pose.cache.pop("key")`
        `pose.cache.metrics.pop("key")`
        `pose.cache.metrics.real.pop("key")`
        `pose.cache.metrics.string.pop("key")`
        `pose.cache.extra.pop("key")`

@klimaj

Constructor & Destructor Documentation

◆ init()

def pyrosetta.bindings.scores.core.PoseCacheAccessor.__init__	(	self,
		pose
	)

Reimplemented from pyrosetta.bindings.scores.base.PoseCacheAccessorBase.

Referenced by pyrosetta.distributed.tasks.taskbase.TaskBase.__setstate__().

Member Function Documentation

◆ delitem()

def pyrosetta.bindings.scores.core.PoseCacheAccessor.__delitem__	(	self,
		key
	)

Delete an item from the pose scores cache. This method first looks for the key in SimpleMetric
data, then if not present it looks for the key in arbitrary extra float data and arbitrary extra
string data. Use `pose.cache.extra.pop(key)` to explicitly delete an item from the arbitrary extra
float data or arbitrary extra string data. Use `pose.cache.metrics.pop(key)` to explicitly delete
an item from SimpleMetric data.

References pyrosetta.bindings.scores.base.PoseCacheAccessorBase._maybe_delete_keys_from_sm_data(), pyrosetta.bindings.scores.base.PoseCacheAccessorBase._validate_del(), pyrosetta.bindings.scores.core.PoseCacheAccessor.metrics(), PDB_IOBenchmark.pose, ScoreBenchmark.pose, ShearMoverBenchmark.pose, SmallMoverBenchmark.pose, SamplingManager.pose, apps::pilot::KicSandbox.pose, PoseAndData.pose, PoseWrap.pose, MatchBase.pose, MatchLig.pose, SlideTask.pose(), HIT.pose, WorkDat.pose, pyrosetta.bindings.pose.PoseResidueAccessor.pose, pyrosetta.bindings.pose.PoseResidueLabelAccessor.pose, pyrosetta.bindings.pose.PoseScoreAccessor.pose, pyrosetta.bindings.scores.base.PoseCacheAccessorBase.pose, ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget.pose(), pyrosetta.distributed.packed_pose.core.PackedPose.pose(), pyrosetta.tests.bindings.core.test_pose.TestPoseCacheAccessor.pose, test.T010_LoadPDB.LoadPDBTest.pose, and test.T300_PyJobDistributor.TestPyJobDistributor.pose.

Referenced by pyrosetta.bindings.pose.PoseScoreAccessor.__setitem__().

◆ getitem()

def pyrosetta.bindings.scores.core.PoseCacheAccessor.__getitem__	(	self,
		key
	)

◆ setitem()

def pyrosetta.bindings.scores.core.PoseCacheAccessor.__setitem__	(	self,
		key,
		value
	)

Save a key and value to SimpleMetric data by default.

To save a key and value to arbitrary extra scores, use:
    `Pose.cache.extra[key] = value`

References pyrosetta.bindings.scores.core.PoseCacheAccessor.metrics().

◆ all()

def pyrosetta.bindings.scores.core.PoseCacheAccessor.all ( self )

Get all cached score data.

This method aims to mimic data override precedences used in the legacy `pose.scores` dictionary:
    1. `pose.energies().active_total_energies()`
    2. `ScoreMap.get_arbitrary_score_data_from_pose(pose)`
    3. `ScoreMap.get_arbitrary_string_data_from_pose(pose)`
Data override precedences as defined in `ScoreMap::add_arbitrary_score_data_from_pose`:
    1. SimpleMetric data
    2. Arbitrary extra float scores
Data override precedences as defined in `ScoreMap::add_arbitrary_string_data_from_pose`:
    1. SimpleMetric data
    2. Arbitrary extra string scores

References pyrosetta.bindings.scores.base.PoseCacheAccessorBase._clobber_warning(), pyrosetta.bindings.pose.PoseScoreAccessor.energies(), pyrosetta.bindings.scores.core.PoseCacheAccessor.energies(), pyrosetta.io.silent_file_map.SilentFileMap.energies(), pyrosetta.bindings.pose.PoseScoreAccessor.extra(), pyrosetta.bindings.scores.core.PoseCacheAccessor.extra(), pyrosetta.tests.distributed.test_dask.format, and pyrosetta.bindings.scores.core.PoseCacheAccessor.metrics().

◆ all_keys()

def pyrosetta.bindings.scores.core.PoseCacheAccessor.all_keys ( self )

Return a tuple of all score data keys.

References pyrosetta.bindings.scores.core.PoseCacheAccessor.all_scores().

Referenced by pyrosetta.bindings.scores.core.PoseCacheAccessor.assert_unique_keys().

◆ all_scores()

def pyrosetta.bindings.scores.core.PoseCacheAccessor.all_scores ( self )

Return a nested dictionary of all score data.

References pyrosetta.bindings.pose.PoseScoreAccessor.energies(), pyrosetta.bindings.scores.core.PoseCacheAccessor.energies(), pyrosetta.io.silent_file_map.SilentFileMap.energies(), pyrosetta.bindings.pose.PoseScoreAccessor.extra(), pyrosetta.bindings.scores.core.PoseCacheAccessor.extra(), and pyrosetta.bindings.scores.core.PoseCacheAccessor.metrics().

Referenced by pyrosetta.bindings.scores.core.PoseCacheAccessor.all_keys().

◆ assert_unique_keys()

def pyrosetta.bindings.scores.core.PoseCacheAccessor.assert_unique_keys ( self )

Assert that `Pose.cache.all_keys` returns all unique keys.

References pyrosetta.bindings.scores.core.PoseCacheAccessor.all_keys(), pyrosetta.tests.distributed.test_dask.format, ObjexxFCL.len(), print(), and set().

◆ clear()

def pyrosetta.bindings.scores.core.PoseCacheAccessor.clear ( self )

Clear pose energies, extra scores, and SimpleMetric data.

References pyrosetta.bindings.scores.core.PoseCacheAccessor.energies(), PDB_IOBenchmark.pose, ScoreBenchmark.pose, ShearMoverBenchmark.pose, SmallMoverBenchmark.pose, SamplingManager.pose, apps::pilot::KicSandbox.pose, PoseAndData.pose, PoseWrap.pose, MatchBase.pose, MatchLig.pose, SlideTask.pose(), HIT.pose, WorkDat.pose, pyrosetta.bindings.pose.PoseResidueAccessor.pose, pyrosetta.bindings.pose.PoseResidueLabelAccessor.pose, pyrosetta.bindings.pose.PoseScoreAccessor.pose, pyrosetta.bindings.scores.base.PoseCacheAccessorBase.pose, ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget.pose(), pyrosetta.distributed.packed_pose.core.PackedPose.pose(), pyrosetta.tests.bindings.core.test_pose.TestPoseCacheAccessor.pose, test.T010_LoadPDB.LoadPDBTest.pose, and test.T300_PyJobDistributor.TestPyJobDistributor.pose.

Referenced by pyrosetta.bindings.pose.ResidueLabelAccessor.discard().

◆ energies()

def pyrosetta.bindings.scores.core.PoseCacheAccessor.energies ( self )

References PDB_IOBenchmark.pose, ScoreBenchmark.pose, ShearMoverBenchmark.pose, SmallMoverBenchmark.pose, SamplingManager.pose, apps::pilot::KicSandbox.pose, PoseAndData.pose, PoseWrap.pose, MatchBase.pose, MatchLig.pose, SlideTask.pose(), HIT.pose, WorkDat.pose, pyrosetta.bindings.pose.PoseResidueAccessor.pose, pyrosetta.bindings.pose.PoseResidueLabelAccessor.pose, pyrosetta.bindings.pose.PoseScoreAccessor.pose, pyrosetta.bindings.scores.base.PoseCacheAccessorBase.pose, ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget.pose(), pyrosetta.distributed.packed_pose.core.PackedPose.pose(), pyrosetta.tests.bindings.core.test_pose.TestPoseCacheAccessor.pose, test.T010_LoadPDB.LoadPDBTest.pose, and test.T300_PyJobDistributor.TestPyJobDistributor.pose.

Referenced by pyrosetta.bindings.scores.core.PoseCacheAccessor.all(), pyrosetta.bindings.scores.core.PoseCacheAccessor.all_scores(), and pyrosetta.bindings.scores.core.PoseCacheAccessor.clear().

◆ extra()

def pyrosetta.bindings.scores.core.PoseCacheAccessor.extra ( self )

References PDB_IOBenchmark.pose, ScoreBenchmark.pose, ShearMoverBenchmark.pose, SmallMoverBenchmark.pose, SamplingManager.pose, apps::pilot::KicSandbox.pose, PoseAndData.pose, PoseWrap.pose, MatchBase.pose, MatchLig.pose, SlideTask.pose(), HIT.pose, WorkDat.pose, pyrosetta.bindings.pose.PoseResidueAccessor.pose, pyrosetta.bindings.pose.PoseResidueLabelAccessor.pose, pyrosetta.bindings.pose.PoseScoreAccessor.pose, pyrosetta.bindings.scores.base.PoseCacheAccessorBase.pose, ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget.pose(), pyrosetta.distributed.packed_pose.core.PackedPose.pose(), pyrosetta.tests.bindings.core.test_pose.TestPoseCacheAccessor.pose, test.T010_LoadPDB.LoadPDBTest.pose, and test.T300_PyJobDistributor.TestPyJobDistributor.pose.

Referenced by pyrosetta.bindings.scores.core.PoseCacheAccessor.all(), and pyrosetta.bindings.scores.core.PoseCacheAccessor.all_scores().

◆ metrics()

def pyrosetta.bindings.scores.core.PoseCacheAccessor.metrics ( self )

References PDB_IOBenchmark.pose, ScoreBenchmark.pose, ShearMoverBenchmark.pose, SmallMoverBenchmark.pose, SamplingManager.pose, apps::pilot::KicSandbox.pose, PoseAndData.pose, PoseWrap.pose, MatchBase.pose, MatchLig.pose, SlideTask.pose(), HIT.pose, WorkDat.pose, pyrosetta.bindings.pose.PoseResidueAccessor.pose, pyrosetta.bindings.pose.PoseResidueLabelAccessor.pose, pyrosetta.bindings.pose.PoseScoreAccessor.pose, pyrosetta.bindings.scores.base.PoseCacheAccessorBase.pose, ui::ui_core::pose_draw::SimplePoseDrawOpenGLWidget.pose(), pyrosetta.distributed.packed_pose.core.PackedPose.pose(), pyrosetta.tests.bindings.core.test_pose.TestPoseCacheAccessor.pose, test.T010_LoadPDB.LoadPDBTest.pose, and test.T300_PyJobDistributor.TestPyJobDistributor.pose.

Referenced by pyrosetta.bindings.scores.core.PoseCacheAccessor.__delitem__(), pyrosetta.bindings.scores.core.PoseCacheAccessor.__setitem__(), pyrosetta.bindings.scores.core.PoseCacheAccessor.all(), and pyrosetta.bindings.scores.core.PoseCacheAccessor.all_scores().

Member Data Documentation

◆ slots

tuple pyrosetta.bindings.scores.core.PoseCacheAccessor.__slots__ = ("pose",)

staticprivate

Referenced by pyrosetta.distributed.cluster.io.IO._get_instance_and_metadata().

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

src/python/PyRosetta/src/pyrosetta/bindings/scores/core.py

Public Member Functions

Static Private Attributes

Additional Inherited Members