Added a test for multiprocessing

vermouth/tests/test_make_bonds.py

@@ -181,9 +181,21 @@ def test_make_bonds(nodes, edges, expected_edges):
  mol.add_nodes_from(enumerate(node_set))
  mol.add_edges_from(edge_set)
  system.add_molecule(mol)
+ system_mp = system.copy()
+
  MakeBonds().run_system(system)
  # Make sure number of connected components is the same
  assert len(system.molecules) == len(expected_edges)
  # Make sure that for every molecule found, the edges are correct
  for found_mol, ref_edges in zip(system.molecules, expected_edges):
  assert dict(found_mol.edges) == ref_edges
+
+ # Also test making bonds with multiprocessing
+ mb = MakeBonds()
+ mb.nproc = 2
+ mb.run_system(system)
+ # Make sure number of connected components is the same
+ assert len(system.molecules) == len(expected_edges)
+ # Make sure that for every molecule found, the edges are correct
+ for found_mol, ref_edges in zip(system.molecules, expected_edges):
+ assert dict(found_mol.edges) == ref_edges