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Updated CHANGELOG for 2.0 (#156)
* Updated CHANGELOG for 2.0 * fix links * fix links * fix formatting * add missing URL
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docs/CHANGELOG.rst

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@@ -4,6 +4,35 @@ Kartograf Change Log
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.. current developments
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v2.0
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====================
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**Added:**
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* Added documentation for molecule alignment algorithms, including guidance on choosing between skeleton-based MCS alignment and shape-based Open3DAlign alignment (`PR #141 <https://github.com/OpenFreeEnergy/kartograf/issues/141>`_).
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* Added a ``kartograf.__version__`` version attribute (`PR #132 <https://github.com/OpenFreeEnergy/kartograf/pull/132>`_)
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**Changed:**
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* We now use https://docs.scipy.org/doc/scipy/reference/generated/scipy.spatial.distance.cdist.html#scipy.spatial.distance.cdist internally to calculate the distance matrix which improves performance.
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* **BREAKING CHANGE** The default for ``KartografAtomMapper``'s ``map_hydrogens_on_hydrogens_only`` option is now ``True``.
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Previously it was ``False``.
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* **BREAKING CHANGE** We moved the visualization widget to ``gufe``.
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Instead of ``from kartograf.utils.mapping_visualization_widget import display_mappings_3d`` use ``from gufe.visualization.mapping_visualization import display_mappings_3d``
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**Deprecated:**
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* We no longer distribute the package on PyPI.
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Since all of the dependences of the package do not exist on PyPI, users would have to install the dependences manually.
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We have decided that all new kartograf releases will be solely distributed via conda-forge.
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We have uploaded a placeholder version of the package that when imported, directs users to install the package from conda-forge instead of PyPI.
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**Fixed:**
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* Clarified atom-mapping warnings when configured filters remove all geometrically found candidate atom pairs (`issue #51 <https://github.com/OpenFreeEnergy/kartograf/issues/51>`_).
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v1.2.0
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====================
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news/better-warning.rst

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news/bye-bye-PyPI.rst

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news/cdist.rst

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news/new-default.rst

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news/new-home-for-viz.rst

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news/pr-144.rst

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news/version.rst

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