def change_enzyme():
selected_node = request.form['selected_node']
selected_enzyme = request.form['selected_enzyme']
task_id = request.form['task_id']
data = json.loads(current_app.redis.get(task_id))
graph_dict = json.loads(data['graph_dict'])
attr_dict = json.loads(data['attr_dict'])
target_smiles = data['target_smiles']
network_options = json.loads(data['network_options'])
graph = nx.from_dict_of_lists(graph_dict, create_using=nx.DiGraph)
network = Network(graph=graph, target_smiles=target_smiles)
network.settings = network_options
network.add_attributes(attr_dict)
network.calculate_scores()
network.graph.nodes[selected_node]['attributes']['selected_enzyme'] = selected_enzyme
data['attr_dict'] = json.dumps(network.attributes_dict())
current_app.redis.mset({task_id: json.dumps(data)})
time_to_expire = 15 * 60 # 15 mins * 60 seconds
current_app.redis.expire(task_id, time_to_expire)
successors = list(network.graph.successors(selected_node))
predecessors = list(network.graph.predecessors(selected_node))
subgraph = network.graph.subgraph([selected_node]+successors+predecessors)
nodes, edges = network.get_visjs_nodes_and_edges(graph=subgraph)
result = {'nodes': nodes,
'edges': edges}
return jsonify(result=result)
def node_info():
if 'node' in request.form:
node = str(request.form['node'])
else:
result = {'name': 'error',
'type': 'error',
'data': {},
'html': ''}
return jsonify(result=result)
try:
task_id = request.form['task_id']
data = json.loads(current_app.redis.get(task_id))
graph_dict = json.loads(data['graph_dict'])
attr_dict = json.loads(data['attr_dict'])
target_smiles = data['target_smiles']
network_options = json.loads(data['network_options'])
graph = nx.from_dict_of_lists(graph_dict, create_using=nx.DiGraph)
network = Network(graph=graph, target_smiles=target_smiles)
network.settings = network_options
network.add_attributes(attr_dict)
network.get_node_types()
if node in network.substrate_nodes:
result = get_substrate_info(node)
elif node in network.reaction_nodes:
if 'retrorule' not in network.graph.nodes[node]['attributes']:
result = get_reaction_info(node, network)
else:
result = get_retrorule_info(node, network)
else:
print('Error node not in substrates or reactions')
result = {'name': 'error',
'type': 'error',
'data' : {},
'html' : ''}
return jsonify(result=result)
except:
result = {'name': 'error',
'type': 'error',
'data': {},
'html': ''}
return jsonify(result=result)
