stko.TopologyInfo

class stko.TopologyInfo(centroids, connectivities, edge_pairs)

Bases: object

Extracted information of a topology.

Parameters:

• centroids (dict) – Positions of vertices.

• connectivities (dict) – Connections between vertices.

• edge_pairs (list[tuple[int, int]]) – Pairs of vertices with edges between them.

Methods

get_connectivities	Get the number of connections of each vertex.
get_edge_pairs	Get the edge pairs.
get_vertex_positions	Get the positions of each vertex.
write	Writes a mock .pdb with vertex centroids and edges as bonds.

get_connectivities()

Get the number of connections of each vertex.

Returns:

Vertex ids with their number of connections.

Return type:

dict

get_edge_pairs()

Get the edge pairs.

Returns:

List of edge pairs.

Return type:

list[tuple[int, int]]

get_vertex_positions()

Get the positions of each vertex.

Returns:

Vertex ids with their positions.

Return type:

dict

write(path)

Writes a mock .pdb with vertex centroids and edges as bonds.

Parameters:

path (Path)

Return type:

None