Quick bug fix in gsd_rdf

cmeutils/__version__.py

@@ -1 +1 @@
-__version__ = "1.5.0"
+__version__ = "1.5.1"

cmeutils/structure.py

@@ -561,8 +561,8 @@ def gsd_rdf(
                 nlist = filter_nlist(
                     nlist=nlist,
                     excluded_pairs_encoded=excluded_pairs_encoded,
-                    query_indices=type_A_indices,
-                    point_indices=type_B_indices,
+                    query_indices=type_B_indices,
+                    point_indices=type_A_indices,
                     max_idx=snap.particles.N,
                 )
 

cmeutils/tests/test_gsd.py

@@ -17,6 +17,7 @@
     get_type_position,
     identify_snapshot_connections,
     snap_delete_types,
+    snapshot_to_graph,
     xml_to_gsd,
 )
 
@@ -33,6 +34,20 @@
 
 
 class TestGSD(BaseTest):
+    def test_snapshot_to_graph(self, pekk_cg_gsd, p3ht_gsd):
+        # Test on a GSD file with a single chain
+        with gsd.hoomd.open(pekk_cg_gsd) as traj:
+            snap = traj[0]
+            graph = snapshot_to_graph(snap)
+            assert snap.particles.N == graph.number_of_nodes()
+            assert snap.bonds.N == graph.number_of_edges()
+        # Test on a GSD file with multiple independent chains
+        with gsd.hoomd.open(p3ht_gsd) as traj:
+            snap = traj[0]
+            graph = snapshot_to_graph(snap)
+            assert snap.particles.N == graph.number_of_nodes()
+            assert snap.bonds.N == graph.number_of_edges()
+
     def test_get_centers(self, gsdfile):
         new_gsdfile = "centers.gsd"
         centers = get_centers(gsdfile, new_gsdfile)