def get_subgraph(self, subvertices, normalize=False):
"""Creates a subgraph of the current graph
See :meth:`molmod.graphs.Graph.get_subgraph` for more information.
"""
graph = Graph.get_subgraph(self, subvertices, normalize)
if normalize:
new_numbers = self.numbers[
graph._old_vertex_indexes] # vertices do change
else:
new_numbers = self.numbers # vertices don't change!
if self.symbols is None:
new_symbols = None
elif normalize:
new_symbols = tuple(self.symbols[i]
for i in graph._old_vertex_indexes)
else:
new_symbols = self.symbols
new_orders = self.orders[graph._old_edge_indexes]
result = MolecularGraph(graph.edges, new_numbers, new_orders,
new_symbols)
if normalize:
result._old_vertex_indexes = graph._old_vertex_indexes
result._old_edge_indexes = graph._old_edge_indexes
return result
def get_subgraph(self, subnodes, normalize=False):
"""Creates a subgraph of the current graph.
See help(Graph.get_subgraph) for more information.
"""
result = Graph.get_subgraph(self, subnodes, normalize)
result.__class__ = MolecularGraph
if normalize:
result._numbers = self.numbers[result.old_node_indexes] # nodes do change
result._numbers.setflags(write=False)
else:
result._numbers = self.numbers # nodes don't change!
result._orders = self.orders[result.old_pair_indexes]
result._orders.setflags(write=False)
return result
def get_subgraph(self, subvertices, normalize=False):
"""Creates a subgraph of the current graph
See :meth:`molmod.graphs.Graph.get_subgraph` for more information.
"""
graph = Graph.get_subgraph(self, subvertices, normalize)
if normalize:
new_numbers = self.numbers[graph._old_vertex_indexes] # vertices do change
else:
new_numbers = self.numbers # vertices don't change!
if self.symbols is None:
new_symbols = None
elif normalize:
new_symbols = tuple(self.symbols[i] for i in graph._old_vertex_indexes)
else:
new_symbols = self.symbols
new_orders = self.orders[graph._old_edge_indexes]
result = MolecularGraph(graph.edges, new_numbers, new_orders, new_symbols)
if normalize:
result._old_vertex_indexes = graph._old_vertex_indexes
result._old_edge_indexes = graph._old_edge_indexes
return result
