protex.update.NaiveMCUpdate

class protex.update.NaiveMCUpdate(ionic_liquid: ProtexSystem, all_forces: bool = False, to_adapt: list[tuple[str, int, frozenset[str]]] | None = None, include_equivalent_atom: bool = False, reorient: bool = False)[source]

Bases: Update

NaiveMCUpdate Performs naive MC update on molecule pairs in close proximity.

Parameters:

UpdateMethod ([type]) – [description]

Methods

dump

Pickle the NaiveMCUpdate instance.

load

Load a pickled NaiveMCUpdate instance.
dump(fname: str) → None[source]

Pickle the NaiveMCUpdate instance.

Parameters:

fname (str) – The file name

static load(fname: str, protex_system: ProtexSystem) → NaiveMCUpdate[source]

Load a pickled NaiveMCUpdate instance.

Parameters:

  • fname (str) – The file name

  • protex_system (ProtexSystem) – A ProtexSystem instance

Returns:

A NaiveMCUpdate instance

Return type:

NaiveMCUpdate