################ Notes on usage ################ After installing the package (see :doc:`Installation `), BONAFIDE can be used by instantiating the ``AtomBondFeaturizer`` class. The user has the opportunity to specify a custom **log file** name by passing data to the ``log_file_name`` parameter. By default, the log file is called ``bonafide.log`` and is created in the current working directory. .. code:: python >>> from bonafide import AtomBondFeaturizer >>> f = AtomBondFeaturizer() The log file will contain all messages logged during the usage of BONAFIDE. ********************************* Atom, bond, and feature indices ********************************* All indices within BONAFIDE, including those for atoms, chemical bonds, and the respective features are **zero-based**. This means that the first atom or bond in a molecule has index 0. ***************** Feature vectors ***************** In case a given atom or bond feature is not represented by a single value but is rather a **vector**, the datatype of this feature is ``str`` and the individual values are **comma-separated** within the string.