pyemap.graph_mining.write_graph_smiles

pyemap.graph_mining.write_graph_smiles(generic_subgraph)

Returns pseudo-SMILES string for supplied graph.

Parameters:

generic_subgraph (networkx.Graph) – Graph to be transformed into string representation. The label attribute of each node should be set to the 1-letter amino acid code or special character.

Returns:

pseudosmiles – String representation of graph of interest

Return type:

str