import requests import os import sys import pandas as pd sys.path.insert(0, "../shared_code") import molecular_network_filtering_library import networkx as nx def test_network_topology(): print("test topology") # Getting pairs data pairs_filename = "pairs.tsv" if not os.path.exists(pairs_filename): pairs_data_url = "https://gnps.ucsd.edu/ProteoSAFe/DownloadResultFile?task=b8b5f2f0581c46f1b61ce047d3bbad16&block=main&file=pairs/pairs.tsv" os.system('wget "{}" -O pairs.tsv'.format(pairs_data_url)) pairs_df = pd.read_csv(pairs_filename, sep="\t", nrows=10000) pairs_df.to_csv(pairs_filename, sep="\t", index=False) G = molecular_network_filtering_library.loading_network(pairs_filename, hasHeaders=True, edgetype="Spec2Vec") molecular_network_filtering_library.filter_top_k(G, 10) molecular_network_filtering_library.filter_component_additive(G, 100) nx.write_graphml(G, "additive.graphml")