pyiron_contrib.protocol.list module

class pyiron_contrib.protocol.list.AutoList(child_type)[source]

Bases: ParallelList, SerialList

Choose between SerialList and ParallelList depending on the nature of the children.

command(n_children)[source]: This controls how the commands are run and is about logistics.

class pyiron_contrib.protocol.list.ListVertex(child_type)[source]

Bases: PrimitiveVertex

A base class for making wrappers to run multiple instances of the same protocol. Protocols which inherit from this class require the sub-protocol being copied to be passed in at initialization as an argument.

Attributes to be assigned to the

child_type

A class inheriting from Command with which to create child instances. (Passed as an argument at instantiation.)

Type: Command

children

The instances of the child command to execute. These are created automatically (at run-time if they don’t exist already).

Type: list

broadcast

Input data to be split element-wise across all the child commands. (Entries here should always have the same number of entries as there are children, i.e. each child can have its own value.)

Type: InputDictionary

direct

Input data which is to be copied to each child (i.e. all children have the same value.)

Type: InputDictionary

Input attributes:: n_children (int): How many children to create.

abstract command(n_children)[source]: The command method controls the physics

finish()[source]

from_hdf(hdf=None, group_name=None)[source]

Load the Vertex from an HDF5 file.

Parameters

hdf (ProjectHDFio) – HDF5 group object.
group_name (str) – HDF5 subgroup name. (Default is None.)

property n_history

to_hdf(hdf=None, group_name=None)[source]

Store the Vertex in an HDF5 file.

Parameters

hdf (ProjectHDFio) – HDF5 group object.
group_name (str) – HDF5 subgroup name. (Default is None.)

class pyiron_contrib.protocol.list.ParallelList(child_type, sleep_time=0)[source]

Bases: ListVertex

A list of commands which are executed in in parallel. The current implementation uses multiprocessing.Pool.

pool

Define the number of workers that will be utilized to run the child jobs. Instantiation and closing are handled by default in __init__ and finish.

Type: multiprocessing.Pool

Note: It is best to set the number of workers to the number of cores so as to prevent larger computation times due to subprocess communication between the large number of workers in a single core.

command(n_children)[source]: This controls how the commands are run and is about logistics.

finish()[source]

class pyiron_contrib.protocol.list.SerialList(child_type)[source]

Bases: ListVertex

A list of commands which are run in serial.

command(n_children)[source]: This controls how the commands are run and is about logistics.