Python API
==========

The public Python API consists of two classes, :class:`~ersilia.api.Model` and
:class:`~ersilia.api.Catalog`. They mirror the CLI commands, with the same
options, defaults and checks. They print nothing unless ``verbose=True`` is
given, never prompt or end the process, and raise an
:class:`~ersilia.api.ErsiliaError` subclass when something goes wrong.

.. code-block:: python

   from ersilia.api import Model

   model = Model("eos4e40")
   model.fetch()
   with model:
       df = model.run(["CCO", "c1ccccc1"])

Model
-----

.. autoclass:: ersilia.api.Model
   :members: fetch, serve, run, close, info, example, delete, is_fetched

Catalog
-------

.. autoclass:: ersilia.api.Catalog
   :members: hub, local, card