OpenFF Evaluator documentation

openff-evaluator

ProtocolPath

class openff.evaluator.workflow.utils.ProtocolPath(property_name='', *protocol_ids)

Represents a pointer to the output of another protocol.

__init__(property_name='', *protocol_ids)

Constructs a new ProtocolPath object.

Parameters

• property_name (str) – The property name referenced by the path.

• protocol_ids (str) – An args list of protocol ids in the order in which they will appear in the path.

Methods

__init__([property_name])	Constructs a new ProtocolPath object.
append_uuid(uuid)	Appends a uuid to each of the protocol id's in the path
copy()	Returns a copy of this path.
from_string(existing_path_string)
pop_next_in_path()	Pops and then returns the leading protocol id from the path.
prepend_protocol_id(id_to_prepend)	Prepend a new protocol id onto the front of the path.
replace_protocol(old_id, new_id)	Redirect the input to point at a new protocol.

Attributes

full_path	The full path referenced by this object.
is_global
last_protocol	The end protocol id of the path.
path_separator
property_name	The property name pointed to by the path.
property_separator
protocol_ids	The ids of the protocols referenced by this object.
protocol_path	The full path referenced by this object excluding the property name.
start_protocol	The leading protocol id of the path.

property property_name

The property name pointed to by the path.

Type

str

property protocol_ids

The ids of the protocols referenced by this object.

Type

tuple of str

property start_protocol

The leading protocol id of the path.

Type

str

property last_protocol

The end protocol id of the path.

Type

str

property protocol_path

The full path referenced by this object excluding the property name.

Type

str

property full_path

The full path referenced by this object.

Type

str

prepend_protocol_id(id_to_prepend)

Prepend a new protocol id onto the front of the path.

Parameters

id_to_prepend (str) – The protocol id to prepend to the path

pop_next_in_path()

Pops and then returns the leading protocol id from the path.

Returns

The previously leading protocol id.

Return type

str

append_uuid(uuid)

Appends a uuid to each of the protocol id’s in the path

Parameters

uuid (str) – The uuid to append.

replace_protocol(old_id, new_id)

Redirect the input to point at a new protocol.

The main use of this method is when merging multiple protocols into one.

Parameters

• old_id (str) – The id of the protocol to replace.

• new_id (str) – The id of the new protocol to use.

copy()

Returns a copy of this path.