# WeightByMoleFraction

class `propertyestimator.protocols.miscellaneous.``WeightByMoleFraction`(protocol_id)

  Multiplies a value by the mole fraction of a component in a Substance.

  `__init__`(protocol_id)

    Initialize self. See help(type(self)) for accurate signature.

  Methods

  `__init__`(protocol_id) | Initialize self.
  `apply_replicator`(replicator, template_values) | Applies a ProtocolReplicator to this protocol.
  `can_merge`(other[, path_replacements]) | Determines whether this protocol can be merged with another.
  `execute`(directory, available_resources) | Execute the protocol.
  `get_class_attribute`(reference_path) | Returns one of this protocols, or any of its children’s, attributes directly (rather than its value).
  `get_value`(reference_path) | Returns the value of one of this protocols inputs / outputs.
  `get_value_references`(input_path) | Returns a dictionary of references to the protocols which one of this protocols inputs (specified by input_path) takes its value from.
  `merge`(other) | Merges another BaseProtocol with this one.
  `replace_protocol`(old_id, new_id) | Finds each input which came from a given protocol
  `set_uuid`(value) | Store the uuid of the calculation this protocol belongs to
  `set_value`(reference_path, value) | Sets the value of one of this protocols inputs.

  Attributes

  `allow_merging` | Protocol Input - Defines whether this protocols is allowed to merge with other protocols.
  `component` | Protocol Input - The component whose mole fraction to weight by.
  `dependencies` | A list of pointers to the protocols which this protocol takes input from.
  `full_substance` | Protocol Input - The full substance which describes the mole fraction of the component.
  `id` | The unique id of this protocol.
  `schema` | A serializable schema for this object.
  `value` | Protocol Input - The value to be weighted.
  `weighted_value` | Protocol Output - The value weighted by the component`s mole fraction as determined from the `full_substance.

  `value`

    Protocol Input - The value to be weighted. The default value of this attribute is not set and must be set by the user..

    Type

      typing.Union[float, int, propertyestimator.utils.quantities.EstimatedQuantity, pint.quantity.build_quantity_class.<locals>.Quantity, propertyestimator.properties.properties.ParameterGradient]

  `component`

    Protocol Input - The component whose mole fraction to weight by. The default value of this attribute is not set and must be set by the user..

    Type

      Substance

  `full_substance`

    Protocol Input - The full substance which describes the mole fraction of the component. The default value of this attribute is not set and must be set by the user..

    Type

      Substance

  `weighted_value`

    Protocol Output - The value weighted by the component`s mole fraction as determined from the `full_substance.

    Type

      typing.Union[float, int, propertyestimator.utils.quantities.EstimatedQuantity, pint.quantity.build_quantity_class.<locals>.Quantity, propertyestimator.properties.properties.ParameterGradient]

  `execute`(directory, available_resources)

    Execute the protocol.

    Protocols may be chained together by passing the output of previous protocols as input to the current one.

    Parameters

      - directory (str) – The directory to store output data in.

      - available_resources (ComputeResources) – The resources available to execute on.

    Returns

      The output of the execution.

    Return type

      Dict[str, Any]

  `allow_merging`

    Protocol Input - Defines whether this protocols is allowed to merge with other protocols. The default value of this attribute is `True`.

    Type

      bool

  `apply_replicator`(replicator, template_values, template_index=-1, template_value=None, update_input_references=False)

    Applies a ProtocolReplicator to this protocol. This method should clone any protocols whose id contains the id of the replicator (in the format $(replicator.id)).

    Parameters

      - replicator (ProtocolReplicator) – The replicator to apply.

      - template_values (list of Any) –

        A list of the values which will be inserted into the newly replicated protocols.

        This parameter is mutually exclusive with template_index and template_value

      - template_index (int, optional) –

        A specific value which should be used for any protocols flagged as to be replicated by the replicator. This option is mainly used when replicating children of an already replicated protocol.

        This parameter is mutually exclusive with template_values and must be set along with a template_value.

      - template_value (Any, optional) –

        A specific index which should be used for any protocols flagged as to be replicated by the replicator. This option is mainly used when replicating children of an already replicated protocol.

        This parameter is mutually exclusive with template_values and must be set along with a template_index.

      - update_input_references (bool) –

        If true, any protocols which take their input from a protocol which was flagged for replication will be updated to take input from the actually replicated protocol. This should only be set to true if this protocol is not nested within a workflow or a protocol group.

        This option cannot be used when a specific template_index or template_value is providied.

    Returns

      A dictionary of references to all of the protocols which have been replicated, with keys of original protocol ids. Each value is comprised of a list of the replicated protocol ids, and their index into the template_values array.

    Return type

      dict of ProtocolPath and list of tuple of ProtocolPath and int

  `can_merge`(other, path_replacements=None)

    Determines whether this protocol can be merged with another.

    Parameters

      - other (`BaseProtocol`) – The protocol to compare against.

      - path_replacements (list of tuple of str, optional) – Replacements to make in any value reference protocol paths before comparing for equality.

    Returns

      True if the two protocols are safe to merge.

    Return type

      bool

  property `dependencies`

    A list of pointers to the protocols which this protocol takes input from.

    Type

      list of ProtocolPath

  `get_class_attribute`(reference_path)

    Returns one of this protocols, or any of its children’s, attributes directly (rather than its value).

    Parameters

      reference_path (ProtocolPath) – The path pointing to the attribute to return.

    Returns

      The class attribute.

    Return type

      object

  `get_value`(reference_path)

    Returns the value of one of this protocols inputs / outputs.

    Parameters

      reference_path (ProtocolPath) – The path pointing to the value to return.

    Returns

      The value of the input / output

    Return type

      Any

  `get_value_references`(input_path)

    Returns a dictionary of references to the protocols which one of this protocols inputs (specified by input_path) takes its value from.

    Notes

    Currently this method only functions correctly for an input value which is either currently a `ProtocolPath`, or a list / dict which contains at least one `ProtocolPath`.

    Parameters

      input_path (`propertyestimator.workflow.utils.ProtocolPath`) – The input value to check.

    Returns

      A dictionary of the protocol paths that the input targeted by input_path depends upon.

    Return type

      dict of ProtocolPath and ProtocolPath

  property `id`

    The unique id of this protocol.

    Type

      str

  `merge`(other)

    Merges another BaseProtocol with this one. The id of this protocol will remain unchanged.

    It is assumed that can_merge has already returned that these protocols are compatible to be merged together.

    Parameters

      other (BaseProtocol) – The protocol to merge into this one.

    Returns

      A map between any original protocol ids and their new merged values.

    Return type

      Dict[str, str]

  `replace_protocol`(old_id, new_id)
    Finds each input which came from a given protocol

      and redirects it to instead take input from a new one.

    Notes

    This method is mainly intended to be used only when merging multiple protocols into one.

    Parameters

      - old_id (str) – The id of the old input protocol.

      - new_id (str) – The id of the new input protocol.

  property `schema`

    A serializable schema for this object.

    Type

      ProtocolSchema

  `set_uuid`(value)

    Store the uuid of the calculation this protocol belongs to

    Parameters

      value (str) – The uuid of the parent calculation.

  `set_value`(reference_path, value)

    Sets the value of one of this protocols inputs.

    Parameters

      - reference_path (ProtocolPath) – The path pointing to the value to return.

      - value (Any) – The value to set.