AtomicSystem.set_topology

AtomicSystem.set_topology(r)

Apply a predefined style or custom rule(s) to the system.

Parameters:

rstr | TopologyRule | DihedralRule | list[TopologyRule | DihedralRule]

-str: Name of predefined rule set (e.g., ‘clayff’, ‘cshff’) -TopologyRule: Single topology rule -DihedralRule: Single dihedral rule - list[TopologyRule | DihedralRule]: Mixed list of rules