class hplattice.Enumerator.Enumerator(lattice_factory, config)[source]

Enumerator objects are used to enumerate all conformations of an HP chain. The HP chain is defined in a configuration file, specified by the config parameter.

  • lattice_factory (hplattice.LatticeFactory) – factory object that knows how to create chains and trajectories
  • config (str) – path to configuration file
enumerate_states(save_trajectory=False, trajectory_filename='traj.xyz')[source]

Enumerate all conformations of an HP chain. Prints density of contact states to stdout.

  • save_trajectory (bool) – Generate an xyz coordinate trajectory when True.
  • trajectory_filename (str) – optional, save trajectory to this path