"""Factory class for generating MD engine facades"""
from importlib import import_module
from inspect import isclass, isabstract, getmembers
from types import ModuleType
from MDMC.MD.engine_facades.facade import MDEngine
ENGINES = {'lammps_engine': 'LAMMPSEngine',
'dlpoly_engine': 'DLPOLYEngine'}
[docs]
class MDEngineFacadeFactory:
"""
Provides a factory for creating facades to ``MDEngine``. Any facade within
the ``engine_facades`` folder can be created with a `str` of the class
``name``, as long as it is a subclass of ``MDEngine``.
"""
[docs]
@staticmethod
def create_facade(module_name: str) -> MDEngine:
"""
Parameters
----------
module_name : str
A module name in ``engine_facades``. Aliases to these module names
are also valid.
Returns
-------
``MDEngine``
The specified ``MDEngine``, as determined by the ``module_name``
"""
module_name = MDEngineFacadeFactory.standardise_alias(module_name)
module = import_module('.' + module_name, __package__)
classes = getmembers(module, lambda m: (isclass(m) and
not isabstract(m) and
issubclass(m, MDEngine) and
ENGINES[module_name] in m.__name__))
return classes[0][1]()
[docs]
@staticmethod
def standardise_alias(alias: str) -> ModuleType:
"""
Converts an ``alias`` into a module name
"""
alias = alias.lower()
if not alias.endswith('_engine'):
alias += '_engine'
if alias not in ENGINES:
raise ImportError(f"The MD engine {alias} is not in the list of recognised engines, "
f"which currently comprises: {tuple(ENGINES.keys())}")
return alias