.. _SdfFormat:

sdf_file format
===============

sdf format
==========

Class: :class:`SdfFormat <dpdata.plugins.rdkit.SdfFormat>`

Conversions
-----------

.. _SdfFormat_from_bond_order_system:

Convert from this format to BondOrderSystem
```````````````````````````````````````````

.. py:function:: dpdata.BondOrderSystem(file_name, fmt: Literal['sdf_file'] = None) -> dpdata.bond_order_system.BondOrderSystem
   :noindex:
.. py:function:: dpdata.BondOrderSystem(file_name, fmt: Literal['sdf'] = None) -> dpdata.bond_order_system.BondOrderSystem
   :noindex:
.. py:function:: dpdata.BondOrderSystem.from_sdf_file(file_name) -> dpdata.bond_order_system.BondOrderSystem
   :noindex:
.. py:function:: dpdata.BondOrderSystem.from_sdf(file_name) -> dpdata.bond_order_system.BondOrderSystem
   :noindex:

   
Note that it requires all molecules in .sdf file must be of the same topology.





:Returns:

    BondOrderSystem
        converted system















.. _SdfFormat_to_bond_order_system:

Convert from BondOrderSystem to this format
```````````````````````````````````````````

.. py:function:: dpdata.BondOrderSystem.to(fmt: Literal['sdf_file'], mol, file_name, frame_idx=-1)
   :noindex:
.. py:function:: dpdata.BondOrderSystem.to(fmt: Literal['sdf_file'], mol, file_name, frame_idx=-1)
   :noindex:
.. py:function:: dpdata.BondOrderSystem.to_sdf_file(mol, file_name, frame_idx=-1)
   :noindex:
.. py:function:: dpdata.BondOrderSystem.to_sdf(mol, file_name, frame_idx=-1)
   :noindex:

   
Convert :class:`BondOrderSystem` to this format.