polymerist.polymers.smidgelib
=============================

.. py:module:: polymerist.polymers.smidgelib

.. autoapi-nested-parse::

   Utilities for parsing, validating, and translating SMILES-like Monomer Interconnectivity and Degree Graph Encoding (SMIDGE) string



Submodules
----------

.. toctree::
   :maxdepth: 1

   /autoapi/polymerist/polymers/smidgelib/smidgebonds/index
   /autoapi/polymerist/polymers/smidgelib/smidgeread/index
   /autoapi/polymerist/polymers/smidgelib/smidgewrite/index


Attributes
----------

.. autoapisummary::

   polymerist.polymers.smidgelib.BOND_PRIMITIVES_FOR_REGEX
   polymerist.polymers.smidgelib.BOND_TOKEN_RE


Classes
-------

.. autoapisummary::

   polymerist.polymers.smidgelib.MonomerGraphBondInfo


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

.. py:data:: BOND_PRIMITIVES_FOR_REGEX
   :value: '[~\\-=#$:]'


.. py:data:: BOND_TOKEN_RE

.. py:class:: MonomerGraphBondInfo

   Encapsulated information about an intermonomer bond in a monomer graph


   .. py:attribute:: DEFAULT_BONDTYPE
      :type:  ClassVar[rdkit.Chem.BondType]


   .. py:attribute:: DEFAULT_FLAVOR
      :type:  ClassVar[int]
      :value: 0



   .. py:attribute:: incoming_flavor
      :type:  int
      :value: 0



   .. py:attribute:: bondtype
      :type:  rdkit.Chem.BondType


   .. py:attribute:: outgoing_flavor
      :type:  int
      :value: 0



   .. py:property:: bond_str
      :type: str


      SMARTS representation of the current bondtype (defaults to the default symbol if None or invalid bondtype is provided)


   .. py:method:: parse_str_dict(str_dict: dict[str, str]) -> dict[str, Optional[Union[str, rdkit.Chem.BondType]]]
      :staticmethod:


      Parse string-valued dict into dict of correct types and NoneType defaults for empty keys



   .. py:method:: from_dict(str_dict: dict[str, str]) -> MonomerGraphBondInfo
      :classmethod:


      Initialize from dictionary of values, after sanitizing



   .. py:method:: from_match(match: Optional[re.Match]) -> MonomerGraphBondInfo
      :classmethod:


      Initialize from groupdict of regex Match