RMSF Mad Variant Facade

GitHub Link to Code.

Facade exposing per-atom and per-residue RMSF services using MAD metric.

class mdxplain.analysis.structure.services.rmsf_mad_variant_facade.RMSFMadVariantFacade(pipeline_data: PipelineData | None)

Expose per-atom and per-residue RMSF services using MAD metric.

Lazily initialises the per-atom service and the residue aggregation facade, ensuring both reuse the same pipeline context and median absolute deviation (MAD) metric for maximum outlier resistance.

Returns

RMSFMadVariantFacade: Helper object that provides access to per-atom and per-residue RMSF services using the MAD metric.

Examples

>>> facade = RMSFMadVariantFacade(pipeline_data)
>>> isinstance(facade.per_atom, RMSFPerAtomService)
True

__init__(pipeline_data: PipelineData | None) → None

Store the pipeline context with MAD metric for child services.

Ensures that pipeline data was injected prior to accessing RMSF services and records the MAD metric shared by per-atom and per-residue computations.

Parameters

pipeline_dataPipelineData | None: Pipeline context injected by the analysis manager.

Returns

None: The initializer does not return anything.

Examples

>>> facade = RMSFMadVariantFacade(pipeline_data)
>>> isinstance(facade, RMSFMadVariantFacade)
True

property per_atom: RMSFPerAtomService

Access the per-atom RMSF service using the MAD metric.

Lazily instantiates the per-atom RMSF service using the stored pipeline data and MAD deviation metric.

Parameters

None: This property does not accept parameters.

Returns

RMSFPerAtomService: MAD-specific per-atom RMSF service exposing to_*_reference helper.

Examples

>>> facade = RMSFMadVariantFacade(pipeline_data)
>>> service = facade.per_atom
>>> service.metric
'mad'

property per_residue: RMSFPerResidueAggregationSelectionFacade

Access the per-residue RMSF helper using the MAD metric.

Lazily instantiates the residue aggregation selection facade using the stored pipeline data and MAD deviation metric.

Parameters

None: This property does not accept parameters.

Returns

RMSFPerResidueAggregationSelectionFacade: Facade exposing residue-level RMSF aggregation selection for the MAD metric.

Examples

>>> facade = RMSFMadVariantFacade(pipeline_data)
>>> per_residue = facade.per_residue
>>> isinstance(per_residue, RMSFPerResidueAggregationSelectionFacade)
True