MHCXGraph.core.subgraphs.extract_subgraph¶
- MHCXGraph.core.subgraphs.extract_subgraph(g: Graph, node_list: list[str] | None = None, sequence_positions: list[int] | None = None, chains: list[str] | None = None, residue_types: list[str] | None = None, atom_types: list[str] | None = None, bond_types: list[str] | None = None, centre_point: ndarray | tuple[float, float, float] | None = None, radius: float | None = None, ss_elements: list[str] | None = None, rsa_threshold: float | None = None, asa_threshold: float | None = None, k_hop_central_node: str | None = None, k_hops: int | None = None, k_only: bool | None = None, filter_dataframe: bool = True, update_coords: bool = True, recompute_distmat: bool = False, inverse: bool = False, return_node_list: bool = False) Graph | list[str][source]¶
Aggregate subgraph selector with a unified API.
- Parameters:
g (nx.Graph) – Input graph.
node_list (list of str, optional) – Explicit nodes to include.
sequence_positions (list of int, optional) – Residue numbers to include.
residue_types (list of str, optional) – Residue names to include.
bond_types (list of str, optional) – Edge kinds whose incident nodes to include.
centre_point (array-like, optional) – Center for point-radius selection.
radius (float, optional) – Radius for point-radius selection.
ss_elements (list of str, optional) – Secondary structure labels to include.
rsa_threshold (float, optional) – Minimum RSA to include.
k_hop_central_node (str, optional) – Node ID for k-hop selection.
k_hops (int, optional) – Number of hops for k-hop selection.
k_only (bool, optional) – If True, include exactly k-hop nodes; else all <= k.
filter_dataframe – See
extract_subgraph_from_node_list().update_coords – See
extract_subgraph_from_node_list().recompute_distmat – See
extract_subgraph_from_node_list().inverse – See
extract_subgraph_from_node_list().return_node_list – See
extract_subgraph_from_node_list().
- Returns:
Subgraph or node list.
- Return type: