MHCXGraph.classes.graph.AssociatedGraph¶

class MHCXGraph.classes.graph.AssociatedGraph(graphs: list[tuple], output_path: str, run_name: str, association_config: dict[str, Any])[source]¶

Association engine for multiple protein graphs.

This class performs structural association between several residue graphs, computes alignment frames, and generates visualization outputs and structural frames.

graphs¶

List containing graph tuples generated by preprocessing.

Type:: list[tuple]

output_path¶

Directory where association outputs are written.

Type:: pathlib.Path

run_name¶

Identifier for the current association run.

Type:: str

association_config¶

Configuration dictionary controlling association behavior.

Type:: dict[str, Any]

graphs_data¶

Processed metadata extracted from the input graphs.

Type:: list[GraphData]

associated_graphs¶

Resulting association graph structures.

Type:: list or None

__init__(graphs: list[tuple], output_path: str, run_name: str, association_config: dict[str, Any])[source]¶

Initialize an association task between protein graphs.

Parameters:

graphs (list[tuple]) – List of tuples produced during preprocessing containing graph objects and metadata.
output_path (str) – Directory where association outputs will be saved.
run_name (str) – Unique identifier for this run.
association_config (dict[str, Any], optional) – Configuration dictionary controlling association behavior.

Methods

`__init__`(graphs, output_path, run_name, ...)	Initialize an association task between protein graphs.
`align_all_frames`()	Align protein structures across all associated graph frames.
`create_pdb_per_protein`()	Generate frame structures for each associated graph component.
`get_dashboard_data`(global_proteins)	Extracts JSON serializable data for the dashboard injection.