hplattice.Enumerator¶
-
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.
Parameters: - 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.
Parameters: - save_trajectory (bool) – Generate an xyz coordinate trajectory
when
True
. - trajectory_filename (str) – optional, save trajectory to this path
- save_trajectory (bool) – Generate an xyz coordinate trajectory
when
- lattice_factory (