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v1.0.0 - 2022-06-07

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@cbouy cbouy released this 04 Sep 16:30
· 101 commits to master since this release

Added

  • Notebooks running in VSCode and Jupyter Lab now support accessing selections from
    Python, executing Python callback functions, and filtering based on other widgets.

Changed

  • Python callbacks can now also be lambda functions.
  • If prerender=True, substructure highlighting will be automatically disabled by
    default instead of raising an error.
  • When exporting a selection to a SMILES file through the GUI, the output no longer
    contains a header.
  • Relies on a custom ipywidget to handle communication between the front-end/Javascript
    and the back-end/Python.
  • When calling grid.filter and other filtering methods, mols2grid will now use the
    filtering code based on ipywidgets, except for Streamlit where it will use the older
    JavaScript version of the code to maintain compatibility.

Fixed

  • Automatically fitting to the content's height in Streamlit.

Removed

  • mapping argument for renaming fields, replaced by rename in v0.1.0.
  • mols2grid.selection, replaced by mols2grid.get_selection() in v0.1.0.