diff --git a/syntemp/SynITS/its_extraction.py b/syntemp/SynITS/its_extraction.py index 82b4a62..28a0058 100644 --- a/syntemp/SynITS/its_extraction.py +++ b/syntemp/SynITS/its_extraction.py @@ -1,6 +1,6 @@ +from copy import copy import networkx as nx from operator import eq -from copy import deepcopy from joblib import Parallel, delayed from typing import Dict, List, Tuple from networkx.algorithms.isomorphism import generic_node_match, generic_edge_match @@ -155,8 +155,8 @@ def process_mapped_smiles( else: equivariant = -1 graphs_by_map["equivariant"] = equivariant - graphs_by_map_correct = deepcopy(graphs_by_map) - graphs_by_map_incorrect = deepcopy(graphs_by_map) + graphs_by_map_correct = copy(graphs_by_map) + graphs_by_map_incorrect = copy(graphs_by_map) is_empty_graph_present = any( (not isinstance(graph, nx.Graph) or graph.number_of_nodes() == 0) for graph in rules_graphs