pyemap.graph_mining.write_graph_smiles
- pyemap.graph_mining.write_graph_smiles(generic_subgraph)[source]
Returns pseudo-SMILES string for supplied graph.
- Parameters
generic_subgraph (
networkx.Graph) – Graph to be transformed into string representation. Thelabelattribute 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