def registry():
"""
This function pass to the noodles infrascture all the information
related to the Structure of the Package object that is schedule.
This *Registry* class contains hints that help Noodles to encode
and decode this Package object.
"""
return Registry(parent=serial.base() + arrays_to_hdf5())
def registry():
"""
This function pass to the noodles infrascture all the information
related to the Structure of the Package object that is schedule.
This *Registry* class contains hints that help Noodles to encode
and decode this Package object.
"""
return Registry(parent=serial.base() + arrays_to_hdf5(),
types={
Package: AsDict(Package),
Path: SerPath(),
plams.Molecule: SerMolecule(),
Chem.Mol: SerMol(),
Result: SerStorable(Result),
Settings: SerSettings()
})
def registry():
"""
This function pass to the noodles infrascture all the information
related to the Structure of the Package object that is schedule.
This *Registry* class contains hints that help Noodles to encode
and decode this Package object.
"""
return Registry(
parent=serial.base() + arrays_to_hdf5(),
types={
Package: AsDict(Package),
Path: SerPath(),
plams.Molecule: SerMolecule(),
Chem.Mol: SerMol(),
Result: AsDict(Result),
Settings: SerSettings(),
plams.KFFile: SerReasonableObject(plams.KFFile),
plams.KFReader: SerReasonableObject(plams.KFReader),
np.floating: SerNumpyScalar(),
np.integer: SerNumpyScalar()
}
)
def registry():
return serial.base() + arrays_to_hdf5()
workdir = plams.config.get('default_jobmanager').workdir
except AttributeError as ex:
raise plams.PlamsError(
"Failed to initialize the PLAMS jobmanager") from ex
db_file = join(workdir, 'cache.db')
return run_parallel(wf,
n_threads=n_processes,
registry=registry,
db_file=db_file,
always_cache=always_cache,
echo_log=False)
#: A :class:`Registry` instance to-be returned by :func:`registry`.
REGISTRY: Registry = Registry(parent=serial.base() + arrays_to_hdf5(),
types={
Package:
SerReduce(Package),
Path:
SerPath(),
plams.Molecule:
SerMolecule(),
Chem.Mol:
SerMol(),
Result:
AsDict(Result),
Settings:
SerSettings(),
plams.KFFile:
SerReasonableObject(plams.KFFile),
def registry():
return serial.base() + arrays_to_hdf5()