# ExactAmount

class `openff.evaluator.substances.``ExactAmount`(value=<openff.evaluator.attributes.attributes.UndefinedAttribute object>)

  The exact number of instances of a Component in a Substance.

  An assumption is made that this amount is for a component which is infinitely dilute (such as ligands in binding calculations), and hence do not contribute to the total mole fraction of a Substance.

  `__init__`(value=<openff.evaluator.attributes.attributes.UndefinedAttribute object>)
    Parameters

      value (float or int) – The value of this amount.

  Methods

  `__init__`([value])

  param value

    The value of this amount.

  `from_json`(file_path) | Create this object from a JSON file.
  `get_attributes`([attribute_type]) | Returns all attributes of a specific attribute_type.
  `json`([file_path, format]) | Creates a JSON representation of this class.
  `parse_json`(string_contents[, encoding]) | Parses a typed json string into the corresponding class structure.
  `to_number_of_molecules`(total_substance_molecules) | Converts this amount to an exact number of molecules
  `validate`([attribute_type]) | Validate the values of the attributes.

  Attributes

  `identifier` | A string identifier for this amount.
  `value` | The value of this amount.

  `value`

    The value of this amount. The default value of this attribute is not set and must be set by the user..

    Type

      int

  property `identifier`

    A string identifier for this amount.

  `to_number_of_molecules`(total_substance_molecules, tolerance=None)

    Converts this amount to an exact number of molecules

    Parameters

      - total_substance_molecules (int) – The total number of molecules in the whole substance. This amount will contribute to a portion of this total number.

      - tolerance (float , optional) – The tolerance with which this amount should be in. As an example, when converting a mole fraction into a number of molecules, the total number of molecules may not be sufficiently large enough to reproduce this amount.

    Returns

      The number of molecules which this amount represents, given the total_substance_molecules.

    Return type

      int

  classmethod `from_json`(file_path)

    Create this object from a JSON file.

    Parameters

      file_path (str) – The path to load the JSON from.

    Returns

      The parsed class.

    Return type

      cls

  classmethod `get_attributes`(attribute_type=None)

    Returns all attributes of a specific attribute_type.

    Parameters

      attribute_type (type of Attribute, optional) – The type of attribute to search for.

    Returns

      The names of the attributes of the specified type.

    Return type

      list of str

  `json`(file_path=None, format=False)

    Creates a JSON representation of this class.

    Parameters

      - file_path (str , optional) – The (optional) file path to save the JSON file to.

      - format (bool) – Whether to format the JSON or not.

    Returns

      The JSON representation of this class.

    Return type

      str

  classmethod `parse_json`(string_contents, encoding='utf8')

    Parses a typed json string into the corresponding class structure.

    Parameters

      - string_contents (str or bytes) – The typed json string.

      - encoding (str) – The encoding of the string_contents.

    Returns

      The parsed class.

    Return type

      Any

  `validate`(attribute_type=None)

    Validate the values of the attributes. If attribute_type is set, only attributes of that type will be validated.

    Parameters

      attribute_type (type of Attribute, optional) – The type of attribute to validate.

    Raises

      ValueError or AssertionError –