code: def compute_rotsym(self, threshold=1e-3*angstrom):
          
          # Generate a graph with a more permissive threshold for bond lengths:
          # (is convenient in case of transition state geometries)
          graph = MolecularGraph.from_geometry(self, scaling=1.5)
          try:
              return compute_rotsym(self, graph, threshold)
          except ValueError:
              raise ValueError("The rotational symmetry number can only be computed when the graph is fully connected.")
docs: Compute the rotational symmetry number.
  
             Optional argument:
              | ``threshold``  --  only when a rotation results in an rmsd below the given
                                   threshold, the rotation is considered to transform the
                                   molecule onto itself.