Utilities

Serialization support

Mix-in to add serialization and deserialization support via JSON, YAML, BSON, TOML, MessagePack, and XML.

Collections

Custom collections for the toolkit

`ValidatedList`	A list that runs custom converter and validators when new elements are added.
`ValidatedDict`	A dict that runs custom converter and validators when new elements are added.

Miscellaneous utilities

Miscellaneous utility functions.

`inherit_docstrings`	Inherit docstrings from parent class
`all_subclasses`	Recursively retrieve all subclasses of the specified class
`temporary_cd`	Context to temporary change the working directory.
`get_data_file_path`	Get the full path to one of the reference files in testsystems.
`convert_0_1_smirnoff_to_0_2`	Convert an 0.1-compliant SMIRNOFF dict to an 0.2-compliant one.
`convert_0_2_smirnoff_to_0_3`	Convert an 0.2-compliant SMIRNOFF dict to an 0.3-compliant one.
`get_molecule_parameterIDs`	Process a list of molecules with a specified SMIRNOFF ffxml file and determine which parameters are used by which molecules, returning collated results.
`unit_to_string`

Exceptions

Exceptions raised by the Toolkit.