perses.rjmc.topology_proposal.PolymerProposalEngine¶
-
class
perses.rjmc.topology_proposal.
PolymerProposalEngine
(system_generator, chain_id, proposal_metadata=None, verbose=False, always_change=True)[source]¶ Attributes: - chemical_state_list
Methods
compute_state_key
(topology)Compute the corresponding state key of a given topology, according to this proposal engine’s scheme. propose
(current_system, current_topology[, …])-
__init__
(system_generator, chain_id, proposal_metadata=None, verbose=False, always_change=True)[source]¶ Initialize self. See help(type(self)) for accurate signature.
Methods
__init__
(system_generator, chain_id[, …])Initialize self. compute_state_key
(topology)Compute the corresponding state key of a given topology, according to this proposal engine’s scheme. propose
(current_system, current_topology[, …])Attributes
chemical_state_list