protex.update.Update

class protex.update.Update(ionic_liquid: ProtexSystem, to_adapt: list[tuple[str, int, frozenset[str]]], all_forces: bool, include_equivalent_atom: bool, reorient: bool, K: int = 300)[source]

Bases: ABC

ABC for implementing different Update Methods.

Parameters:

ionic_liquid (ProtexSystem)

Methods

dump

Pickle an Update instance.

load

Load a picklesUpdate instance.
abstract dump(fname: str) → None[source]

Pickle an Update instance.

Parameters:

fname (str) – The file name

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

Load a picklesUpdate instance.

Parameters:

  • fname (str) – The file name

  • protex_system (ProtexSystem) – An instance of ProtexSystem, used to create the Update instance

Returns:

An update instance

Return type:

Update