Fix generator

tucan/canonicalization.py

@@ -2,7 +2,7 @@
 from tucan.graph_utils import attribute_sequence
 import networkx as nx
 from igraph import Graph as iGraph
-from typing import Iterator
+from typing import Generator
 
 
 def partition_molecule_by_attribute(m: nx.Graph, attribute: str) -> nx.Graph:
@@ -26,19 +26,14 @@ def get_number_of_partitions(m: nx.Graph) -> int:
     return max(nx.get_node_attributes(m, PARTITION).values())
 
 
-def refine_partitions(m: nx.Graph) -> Iterator[nx.Graph]:
-    n_current_partitions = get_number_of_partitions(m)
-
-    if n_current_partitions == m.number_of_nodes() - 1:
-        # partitions are discrete (i.e., each node in a separate partition)
-        return m
+def refine_partitions(m: nx.Graph) -> Generator[nx.Graph, None, None]:
 
     m_refined = partition_molecule_by_attribute(m, PARTITION)
-    if get_number_of_partitions(m_refined) == n_current_partitions:
-        # no refinement possible
-        return m
 
-    yield m_refined
+    if get_number_of_partitions(m_refined) == get_number_of_partitions(m):
+        # No more refinement possible.
+        yield m_refined
+        return
 
     yield from refine_partitions(m_refined)
 
@@ -70,9 +65,8 @@ def assign_canonical_labels(m: nx.Graph) -> dict[int, int]:
 
 def canonicalize_molecule(m: nx.Graph) -> nx.Graph:
     m_partitioned_by_invariant_code = partition_molecule_by_attribute(m, INVARIANT_CODE)
-    m_refined = list(refine_partitions(m_partitioned_by_invariant_code))
-    m_partitioned = m_refined[-1] if m_refined else m_partitioned_by_invariant_code
+    m_refined = list(refine_partitions(m_partitioned_by_invariant_code))[-1]
 
-    canonical_labels = assign_canonical_labels(m_partitioned)
+    canonical_labels = assign_canonical_labels(m_refined)
 
-    return nx.relabel_nodes(m_partitioned, canonical_labels, copy=True)
+    return nx.relabel_nodes(m_refined, canonical_labels, copy=True)