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15 changes: 14 additions & 1 deletion docs/CHANGELOG.rst
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Expand Up @@ -4,12 +4,25 @@ gufe Change Log

.. current developments

v1.2.0
====================

**Added:**

* Added `Protocol` errors hierarchy
* Added `AtomMappingError`
* Added LigandNetwork.trim_graph
* Added warning when pickling an ``ExplicitMoleculeComponent`` that RDKit mol properties not preserved by default.
* JSON encoder now uses `zstandard compression <https://github.com/OpenFreeEnergy/gufe/pull/438>`_ .



v1.1.0
====================

**Added:**

* use rever to manage changelog
* Use rever to manage changelog
* KeyedChain GufeTokenizable representation was added, allowing
GUFE objects to be deduplicated when serializing GufeTokenizables
(PR #286).
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25 changes: 25 additions & 0 deletions gufe/components/explictsolventcomponent.py
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from .explicitmoleculecomponent import ExplicitMoleculeComponent

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class ExplicitRepeatedComponent(ExplicitMoleculeComponent):

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def __init__(self):

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"""An explicit molecule that is repeated many times, with coordinates
specified for each instance.

"""
...


class ExplicitSolventCompoent(ExplicitRepeatedComponent):

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class MembraneComponent(ExplicitRepeatedComponent):

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class IonsComponent(ExplicitRepeatedComponent):

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23 changes: 0 additions & 23 deletions news/add-protocol-errors.rst

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23 changes: 0 additions & 23 deletions news/added_LigandNetwork_reduce_graph.rst

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23 changes: 0 additions & 23 deletions news/pickle-explicitmoleculecomponent.rst

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23 changes: 0 additions & 23 deletions news/zstd_compression.rst

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