diff --git a/doc/source/CHANGELOG.rst b/doc/source/CHANGELOG.rst new file mode 100644 index 0000000..ed3958b --- /dev/null +++ b/doc/source/CHANGELOG.rst @@ -0,0 +1,25 @@ +========= +Changelog +========= + +0.1.5 (tba) + +**New features**: + +- ``molpx.visualize``: + - new method ``visualize.correlations()`` to visualize the feature_TIC_correlation attribute of PyEMMA TICA-objects + in the widget + - method ``visualize.traj()`` has new optional parameter ``projection`` to accept a PyEMMA TICA object to + visualize the linear correlations in the widget AND in as trajectories f(t) + +- ``molpx.bmutils``: + - new method ``bmutils.most_corr_info()`` to support the new methods in ``molpx.visualize`` + +- notebooks: + - new section added to showcase the better PyEMMA integration, in particular with TICA + +**Fixes**: + +- ``molpx.visualize``: + - all calls to ``nglview.show_mdtraj()`` has been wrapped in ``_initialize_nglwidget_if_safe`` to avoid + erroring in tests \ No newline at end of file diff --git a/doc/source/index.rst b/doc/source/index.rst index beaefc3..ec205d9 100644 --- a/doc/source/index.rst +++ b/doc/source/index.rst @@ -13,7 +13,8 @@ Example Jupyter Notebook About & YouTube Introduction Installation Guide - + Changelog + Indices and tables ==================