Python arrays_to_hdf5示例

示例#1

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())

示例#2

文件： packages.py 项目： iinfant76/qmflows

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()
                    })

示例#3

文件： packages.py 项目： SCM-NV/qmworks

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()
        }
    )

示例#4

def registry():
    return serial.base() + arrays_to_hdf5()

示例#5

        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),

示例#6

文件： test_numpy.py 项目： NLeSC/noodles

def registry():
    return serial.base() + arrays_to_hdf5()