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.. _migrating:
Migration Guide
===============
Upgrading to version 2.x
------------------------
The RSC released an entirely new REST API in 2018, necessitating a number of changes to ChemSpiPy. Where possible,
backwards compatibility has been maintained, but many methods are deprecated and some have been removed entirely.
ChemSpider Object
~~~~~~~~~~~~~~~~~
- Instantiate the :class:`~chemspipy.api.ChemSpider` with a required ``api_key`` parameter instead of the optional
``security_token`` parameter.
- Deprecated methods:
- ``get_databases`` → :meth:`~chemspipy.api.ChemSpider.get_datasources`
- ``get_extended_compound_info`` → :meth:`~chemspipy.api.ChemSpider.get_details`
- ``get_extended_compound_info_list`` → :meth:`~chemspipy.api.ChemSpider.get_details_batch`
- ``get_extended_mol_compound_info_list`` → :meth:`~chemspipy.api.ChemSpider.get_details_batch`
- ``get_record_mol`` → :meth:`~chemspipy.api.ChemSpider.get_mol`
- ``async_simple_search`` → :meth:`~chemspipy.api.ChemSpider.filter_name`
- ``async_simple_search_ordered`` → :meth:`~chemspipy.api.ChemSpider.filter_name`
- ``get_async_search_status`` → :meth:`~chemspipy.api.ChemSpider.filter_status`
- ``get_async_search_status_and_count`` → :meth:`~chemspipy.api.ChemSpider.filter_status`
- ``get_async_search_result`` → :meth:`~chemspipy.api.ChemSpider.filter_results`
- ``get_async_search_result_part`` → :meth:`~chemspipy.api.ChemSpider.filter_results`
- ``get_compound_info`` → :meth:`~chemspipy.api.ChemSpider.get_details`
- ``get_compound_thumbnail`` → :meth:`~chemspipy.api.ChemSpider.get_image`
- ``simple_search`` → :meth:`~chemspipy.api.ChemSpider.search`
- Removed methods:
- ``get_original_mol``
- ``get_all_spectra_info``
- ``get_spectrum_info``
- ``get_compound_spectra_info``
- ``get_spectra_info_list``
Compound Object
~~~~~~~~~~~~~~~
- Non-standard InChI and InChIKey are no longer available. All are now 'standard'. Deprecated properties:
- ``stdinchi`` → :attr:`~chemspipy.objects.Compound.inchi`
- ``stdinchikey`` → :attr:`~chemspipy.objects.Compound.inchikey`
- Removed properties:
- ``xlogp``
- ``alogp``
- ``mol_3d``
- ``mol_raw``
Spectrum Object
~~~~~~~~~~~~~~~
- ``Spectrum`` object has been removed entirely.
:mod:`~chemspipy.api` Module
~~~~~~~~~~~~~~~~~~~~~~~~~~~~
- Removed ``DIMENSIONS`` mapping.
- Replaced :attr:`~chemspipy.api.FIELDS` mapping with a list of available properties fields.
- Removed ``xml_to_dict`` function.
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