Inheritance diagram for pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase:

[legend]

Public Member Functions
def	__init__ (self, pose)

def	__getitem__ (self, key)

def	__setitem__ (self, key, value)

def	__delitem__ (self, key)

def	format_composite_string (self, raw_data)

def	format_composite_real (self, raw_data)

def	format_per_residue_string (self, raw_data)

def	format_per_residue_real (self, raw_data)

def	format_per_residue_probabilities (self, raw_data)

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)

Private Member Functions
def	_format_metric (self, raw_data, as_dict=False)

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

Base methods for accessor wrapper for pose SimpleMetric data.

Constructor & Destructor Documentation

◆ init()

def pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.__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.simple_metrics.SimpleMetricDataAccessorBase.__delitem__	(	self,
		key
	)

Reimplemented in pyrosetta.bindings.scores.simple_metrics.SimpleMetricRealDataAccessor, and pyrosetta.bindings.scores.simple_metrics.SimpleMetricStringDataAccessor.

References pyrosetta.bindings.scores.base.PoseCacheAccessorBase._maybe_delete_keys_from_sm_data(), pyrosetta.bindings.scores.base.PoseCacheAccessorBase._validate_del(), 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.simple_metrics.SimpleMetricDataAccessorBase.__getitem__	(	self,
		key
	)

◆ setitem()

def pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.__setitem__	(	self,
		key,
		value
	)

Reimplemented in pyrosetta.bindings.scores.simple_metrics.SimpleMetricPerResidueProbabilitiesDataAccessor, pyrosetta.bindings.scores.simple_metrics.SimpleMetricPerResidueRealDataAccessor, pyrosetta.bindings.scores.simple_metrics.SimpleMetricPerResidueStringDataAccessor, pyrosetta.bindings.scores.simple_metrics.SimpleMetricCompositeRealDataAccessor, pyrosetta.bindings.scores.simple_metrics.SimpleMetricCompositeStringDataAccessor, pyrosetta.bindings.scores.simple_metrics.SimpleMetricRealDataAccessor, and pyrosetta.bindings.scores.simple_metrics.SimpleMetricStringDataAccessor.

References pyrosetta.bindings.scores.base.PoseCacheAccessorBase._maybe_delete_reserved_keys_from_sm_data(), pyrosetta.bindings.scores.base.PoseCacheAccessorBase._reserved_custom_metric_keys_warning(), pyrosetta.bindings.scores.base.PoseCacheAccessorBase._validate_set(), CartPerturber.apply(), numeric::BodyPosition< T >.apply(), CountContact.apply(), AssignClusterToolMover.apply(), EnvToolMover.apply(), MinToolMover.apply(), ScoreMover.apply(), OutputMover.apply(), ConstraintToolMover.apply(), RmsfMover.apply(), FitMover.apply(), RDCToolMover.apply(), Protocol_MolecularDynamics.apply(), ZincMatchFilter.apply(), zinc1_homodimer_setup.apply(), CalcIrms.apply(), RMSByResStatistics.apply(), BuriedUnsatPolarsFinder.apply(), HbondZinc.apply(), HbondZincBackbone.apply(), xtal_water_bunsat.apply(), zinc_helix_cap.apply(), ZincMinimize.apply(), CollectCoordinates.apply(), GunnTest.apply(), PrintFeatures.apply(), protocols::abinitio::Stage1Sampler.apply(), RotateSAXS.apply(), DougsDockDesignMinimizeMagicMover.apply(), PeptoidDihedralGrabber.apply(), PeptiodMovieMover.apply(), PeptoidRotamerRecoverer.apply(), CartRefineWrapperMover.apply(), CenRelaxMover.apply(), dsRNA_grow.apply(), MirrorSymmTest.apply(), AbInitio_MPI.apply(), HemeBindingMover.apply(), HemeReplace.apply(), GraftDesignCDRs.apply(), protocols::antibody::design::AntibodyDesignMoverGenerator.apply(), RelaxCDRsMover.apply(), TestMMOP.apply(), InterfaceFeaturesTests.apply(), myspace::GraftTester.apply(), SuperDeviationMover.apply(), ComputeProfileMover.apply(), PrintSequenceMover.apply(), ConstraintMinimizer.apply(), InteractionDistMinimizer.apply(), ConstraintStatsMover.apply(), SpartaSuperDeviationMover.apply(), InjectorMover.apply(), StatefulMover.apply(), InverseRotlibDumpMover.apply(), khSandbox.apply(), khSandbox2.apply(), KHSandbox.apply(), abbinding.apply(), mtransferase.apply(), PhDocking.apply(), PhProtocol.apply(), DesignGlycansProtocol.apply(), GlycomutagenesisProtocol.apply(), LoopHash_Analyze.apply(), TestJD2Mover.apply(), RDCScoreMover.apply(), LocalRmsd.apply(), PairDistance.apply(), PickBAB.apply(), Sasa.apply(), DeleteSegments.apply(), SetupHotspotMover.apply(), ElecDensMinPackMinMover.apply(), FloppyTailMover.apply(), ForgetMover.apply(), HECTMover.apply(), sasa_qdMover.apply(), UBQ_E2Mover.apply(), PepMinMover.apply(), IAMover.apply(), SymFixbbMover.apply(), XMLprinterMover.apply(), FoldTreeOutputter.apply(), HelicalPdbGeneratorMover.apply(), InterfaceStrandFinderMover.apply(), RDF_Mover.apply(), ChiMover.apply(), CycBBMover.apply(), MoveThenFixH.apply(), MoveThenFixHMin.apply(), LigChiMover.apply(), DuboisChiMover.apply(), BBMover.apply(), HolesTrainingDataMover.apply(), SymRBMover.apply(), SimpleBBMover.apply(), MySlideMover.apply(), MyTransMover.apply(), MyRotMover.apply(), FloatScRotMover.apply(), ScMinMover.apply(), apps::pilot::AlignChunkMover.apply(), apps::pilot::MultiTemplateAlignChunkMover.apply(), apps::pilot::CustomStarTreeMover.apply(), apps::pilot::CustomFragmentMover.apply(), apps::pilot::HelixMover.apply(), ChallengeMover.apply(), PBPotentialMover.apply(), apps::pilot::SampleSecondaryStructureAlignmentMover.apply(), SilentProlineFixMover.apply(), InterfaceDDGMover.apply(), A3BHbsCreatorMover.apply(), A3BHbsDockDesignMinimizeMover.apply(), HbsCreatorMover.apply(), A3BPeptideBuilder.apply(), CovalentPeptidomimeticDockDesign.apply(), CovalentPeptidomimeticCreator.apply(), B3AADihedralGrabber.apply(), MikeLinkerMover.apply(), TorsionVectorMover.apply(), TriazoleCreator.apply(), TrizaolamerDockDesignMinimizeMover.apply(), Packing_energies.apply(), SSM_energies.apply(), MyMover.apply(), JDmover.apply(), MyScoreMover.apply(), ComputeSAXSSpectrum.apply(), RescorePDDF.apply(), PrintPDDF.apply(), RescoreSAXS.apply(), FaSolReporter.apply(), MinTestMover.apply(), PerturbStruct.apply(), CrystHbondsReporter.apply(), LigandDockingHbondsReporter.apply(), SetupMover.apply(), JDtestmover.apply(), LDConverterMover.apply(), HotspotPlacementMover.apply(), LoopHashRelax_Sampler.apply(), protocols::moves::FragCaptureMover.apply(), Foldptn.apply(), MakeCanonicalHelix.apply(), SampleTiltProtocol.apply(), ColorByLipidType.apply(), FindOptimalHydrophobicThk.apply(), LigandRepackMinimizeProtocol.apply(), hackLAMMover.apply(), CalcsTestMover.apply(), MinPackMinMover.apply(), MinCenrotMover.apply(), CenRotRelaxMover.apply(), RosettaHolesMover.apply(), IdentifyCDRClusters.apply(), DockGlycansProtocol.apply(), GlycanClashCheckMover.apply(), APDBCMover.apply(), AnchorFinderMover.apply(), ExtractATD.apply(), HbsDesignMover.apply(), OopDesignMover.apply(), PeptoidDesignMover.apply(), MakeSegmentFileMPI.apply(), RNA_ScoreMover.apply(), ExposedStrandMover.apply(), HDdesignMover.apply(), HDmakerMover.apply(), CaToAllAtom.apply(), UBQ_GTPase_disulfide_Mover.apply(), BacksideHbondFinderMover.apply(), MetalSiteFinderMover.apply(), SeqBBTorSRFD.apply(), HemaggTrimer.apply(), MotifDock.apply(), CalcCdrRms.apply(), PackingAngle.apply(), FastThreadingMover.apply(), CloseContactWithResidue.apply(), protocols::antibody::task_operations::AddFrameworkProfilesOperation.apply(), Designer.apply(), SimulateCryoMover.apply(), TNM.apply(), DummyMover.apply(), OutputCenrotIntCoord.apply(), RepackCenrotMover.apply(), SmoothFragRepackMover.apply(), RescoreCenrot.apply(), RepackMinCenrotMover.apply(), ZincSiteEvaluator.apply(), CustomMover.apply(), DetectSymmetry.apply(), FragmentBasedDesign.apply(), SwapElementsMover1.apply(), SwapElementsMover2.apply(), MPFindInterfaceTestMover.apply(), MPframeworkTestMover.apply(), MPframeworkTest1Mover.apply(), ClosureMover.apply(), BreadthMover.apply(), MyApp.apply(), NativeEnsemble.apply(), Benchmark.apply(), RamaTestMover.apply(), ScTrials.apply(), HBondReporter.apply(), MotifScanMover.apply(), MembraneViewMover.apply(), MembraneMinMover.apply(), MembraneSfxnMover.apply(), MembraneDockingxMover.apply(), MembraneRelaxMover.apply(), MembraneSampleMover.apply(), MembraneTransformMover.apply(), BBG_Cyclic_Mover.apply(), MyProtocol.apply(), FloatScRandomChi.apply(), FloatScMonteCarlo.apply(), BUNS_Output.apply(), zinc1_homodimer_design.apply(), CrystDesign.apply(), CrystRelax.apply(), CrystCluster.apply(), CrystFFTDock.apply(), MPInterfaceStatistics.apply(), TestQuickRelaxMover.apply(), MPFoldingMover.apply(), LoadMembraneMover.apply(), ViewMembraneProteinMover.apply(), ClearPoseHeader.apply(), CenRotSidechainMover.apply(), CenRotCanonicalMover.apply(), CenRotRBRelaxMover.apply(), CenRotDockingMover.apply(), zinc2_homodimer_design.apply(), zinc2_homodimer_setup.apply(), MPDomainAssembly.apply(), Minimize.apply(), ExemplarMover.apply(), NCMinimize.apply(), Hit.apply(), myspace::Evaluator.apply(), StepwiseTorsionMover.apply(), ConcertedTorsionMover.apply(), protocols::moves::SimpleCstMover.apply(), BondedRNA_Mover.apply(), ZF_PatchupMover.apply(), MPScoreFunctionFingerprintMover.apply(), complex_interface_optimize.apply(), generate_hbond_geometry.apply(), ScoreFunctionFingerprintMover.apply(), compute_Irmsd.apply(), run_score_patchdock_hotspot.apply(), run_score_hotspot.apply(), protocols::abinitio::PcaEvaluator.apply(), protocols::abinitio::ShowViolation.apply(), protocols::abinitio::ComputeTotalDistCst.apply(), numeric::Quaternion< T >.apply(), pyrosetta.bindings.scores.base.PoseCacheAccessorBase.apply(), test.T850_SubClassing.My_New_Mover.apply(), pyrosetta.distributed.tasks.rosetta_scripts.MultioutputRosettaScriptsTask.apply(), pyrosetta.distributed.tasks.rosetta_scripts.SingleoutputRosettaScriptsTask.apply(), test.Workshop9_my_shapes.PhiNByXDegreesMover.apply(), pyrosetta.distributed.viewer.modules.setBackgroundColor.apply(), pyrosetta.distributed.viewer.modules.setDisulfides.apply(), pyrosetta.distributed.viewer.modules.setHydrogenBonds.apply(), pyrosetta.distributed.viewer.modules.setHydrogens.apply(), pyrosetta.distributed.viewer.modules.setStyle.apply(), pyrosetta.distributed.viewer.modules.setSurface.apply(), pyrosetta.distributed.viewer.modules.setZoom.apply(), pyrosetta.distributed.viewer.modules.setZoomTo.apply(), pyrosetta.bindings.scores.base.PoseCacheAccessorBase.custom_real_value_metric, pyrosetta.tests.bindings.core.test_pose.TestPoseCacheAccessor.custom_real_value_metric, pyrosetta.bindings.scores.base.PoseCacheAccessorBase.custom_string_value_metric, and pyrosetta.tests.bindings.core.test_pose.TestPoseCacheAccessor.custom_string_value_metric.

◆ _format_metric()

def pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase._format_metric	(	self,
		raw_data,
		as_dict = `False`
	)

private

References join().

Referenced by pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.format_composite_real(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.format_composite_string(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.format_per_residue_probabilities(), pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.format_per_residue_real(), and pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.format_per_residue_string().

◆ clear()

def pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.clear ( self )

Reimplemented in pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessor, pyrosetta.bindings.scores.simple_metrics.SimpleMetricRealDataAccessor, and pyrosetta.bindings.scores.simple_metrics.SimpleMetricStringDataAccessor.

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

◆ format_composite_real()

def pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.format_composite_real	(	self,
		raw_data
	)

Mimics formatting in `ScoreMap.add_arbitrary_score_data_from_pose`.

References pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase._format_metric().

Referenced by pyrosetta.bindings.scores.simple_metrics.SimpleMetricCompositeRealDataAccessor.all().

◆ format_composite_string()

def pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.format_composite_string	(	self,
		raw_data
	)

Mimics formatting in `ScoreMap.add_arbitrary_string_data_from_pose`.

References pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase._format_metric().

Referenced by pyrosetta.bindings.scores.simple_metrics.SimpleMetricCompositeStringDataAccessor.all().

◆ format_per_residue_probabilities()

def pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.format_per_residue_probabilities	(	self,
		raw_data
	)

Format per-residue probabilities metrics as nested dictionaries.

The default output format from `ScoreMap.add_arbitrary_string_data_from_pose`
sets values as `str` objects:
    {'my_metric_1': 'ALA:0.0125,ASN:0.000000,...', 'my_metric_2': ...}`

Here, we reformat the values into separate `dict` objects where keys are `str`
objects and values are `float` objects:
    {'my_metric_1': {'ALA': 0.0125, 'ASN': 0.0, ...}, 'my_metric_2': ...}

References pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase._format_metric().

Referenced by pyrosetta.bindings.scores.simple_metrics.SimpleMetricPerResidueProbabilitiesDataAccessor.all().

◆ format_per_residue_real()

def pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.format_per_residue_real	(	self,
		raw_data
	)

Mimics formatting in `ScoreMap.add_arbitrary_score_data_from_pose`.

References pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase._format_metric().

Referenced by pyrosetta.bindings.scores.simple_metrics.SimpleMetricPerResidueRealDataAccessor.all().

◆ format_per_residue_string()

def pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.format_per_residue_string	(	self,
		raw_data
	)

Mimics formatting in `ScoreMap.add_arbitrary_string_data_from_pose`.

References pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase._format_metric().

Referenced by pyrosetta.bindings.scores.simple_metrics.SimpleMetricPerResidueStringDataAccessor.all().

Member Data Documentation

◆ slots

tuple pyrosetta.bindings.scores.simple_metrics.SimpleMetricDataAccessorBase.__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/simple_metrics.py

Public Member Functions

Private Member Functions

Static Private Attributes

Additional Inherited Members

Detailed Description

Constructor & Destructor Documentation

◆ __init__()

Member Function Documentation

◆ __delitem__()

◆ __getitem__()

◆ __setitem__()

◆ _format_metric()

◆ clear()

◆ format_composite_real()

◆ format_composite_string()

◆ format_per_residue_probabilities()

◆ format_per_residue_real()

◆ format_per_residue_string()

Member Data Documentation

◆ __slots__

◆ init()

◆ delitem()

◆ getitem()

◆ setitem()

◆ slots