File: descriptor.rst

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.. highlight:: rest

.. _descriptor_module:

The :mod:`modelcif.descriptor` Python module
============================================

.. automodule:: modelcif.descriptor

.. autoclass:: Descriptor
   :members:

.. autoclass:: CanonicalSMILES
   :members:

.. autoclass:: IsomericSMILES
   :members:

.. autoclass:: IUPACName
   :members:

.. autoclass:: InChI
   :members:

.. autoclass:: InChIKey
   :members:

.. autoclass:: PubChemCID
   :members: