polymerist.smileslib.functgroups
================================

.. py:module:: polymerist.smileslib.functgroups

.. autoapi-nested-parse::

   SMARTS-based queries for functional groups and other chemical signatures



Attributes
----------

.. autoapisummary::

   polymerist.smileslib.functgroups.LOGGER
   polymerist.smileslib.functgroups.FN_GROUP_TABLE
   polymerist.smileslib.functgroups.FN_GROUP_ENTRIES


Classes
-------

.. autoapisummary::

   polymerist.smileslib.functgroups.FnGroupSMARTSEntry


Functions
---------

.. autoapisummary::

   polymerist.smileslib.functgroups.scrape_SMARTS


Package Contents
----------------

.. py:data:: LOGGER

.. py:function:: scrape_SMARTS(url: str = DAYLIGHT_URL) -> pandas.DataFrame

   Scrape SMARTS strings and accompanying descriptions and categories off of Daylight SMARTS official site


.. py:class:: FnGroupSMARTSEntry

   For encapuslating SMARTS group info from Daylight SMARTS registry


   .. py:attribute:: category
      :type:  str


   .. py:attribute:: category_desc
      :type:  str


   .. py:attribute:: group_type
      :type:  str


   .. py:attribute:: group_name
      :type:  str


   .. py:attribute:: SMARTS
      :type:  str


   .. py:attribute:: SMARTS_desc
      :type:  str


.. py:data:: FN_GROUP_TABLE

.. py:data:: FN_GROUP_ENTRIES