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* updates to cli from_json * replacing dump instances with to_json * Remove unnecessary imports of JSON_HANDLER * addressing review --------- Co-authored-by: Mike Henry <11765982+mikemhenry@users.noreply.github.com> Co-authored-by: David L. Dotson <dotsdl@gmail.com>
39 lines
1.3 KiB
ReStructuredText
39 lines
1.3 KiB
ReStructuredText
.. _dumping_transformations:
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Dumping a ``Transformation`` to JSON
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====================================
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If you're trying to run a full campaign of simulations representing an
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alchemical network, we generally recommend saving objects using our storage
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tools, when avoids saving duplicate information to disk.
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.. TODO: add links to storage tools once they're complete
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However, there are situations where it is reasonable to serialize a single
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:class:`.Transformation`. For example, this can be useful when trying to
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compare results run on different machines. This also provides a trivial way
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for a user to run edges in parallel, if they don't want to use the more
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sophisticated techniques we have developed.
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For these cases, we have made it very easy for a user to dump a
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transformation to JSON. Simply use the method
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:meth:`.Transformation.to_json`. For example:
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.. code::
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transformation.to_json("mytransformation.json")
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When you do dump a single transformation, it can be reloaded into memory
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with the :meth:`.Transformation.from_json` method:
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.. code::
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transformation = Transformation.from_json("mytransformation.json")
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Once you've saved to it JSON, you can also run this transformation with the
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``openfe`` command line tool's :ref:`cli_quickrun`, e.g.:
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.. code:: bash
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$ openfe quickrun mytransformation.json -d dir_for_files -o output.json
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