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The grid can be filtered using pandas DataFrame's query and loc logic (mostly
useful to combine with ipywidgets) with MolGrid.filter_by_index and MolGrid.filter.
Selections can now be modified (select and unselect all, or invert) and exported (to
clipboard or a SMILES file) even without a notebook kernel. Fixes: Issue #16.
The grid can be sorted according to the selection status and to values in the tooltips.
Added tracking the selection in multiple grids at the same time (i.e. it's not a
global object that get's overwritten anymore).
Added support for executing custom JavaScript code or Python function when clicking on
a molecule's image through the callback argument.
Added the mols2grid.make_popup_callback helper function to create a popup-like window
as a JavaScript callback.
Added styling for the whole cell through style={"__all__": userfunction}.
Added mols2grid.get_selection() allowing users to specify which grid selection should
be returned. Without argument, the most recently updated grid is returned.
Added mols2grid.list_grids() to return a list of grid names available.
Added the mols2grid.sdf_to_dataframe function to easily convert an SDF file to a
pandas DataFrame.
Added the custom_css argument to pass custom CSS for the HTML document.
Added the sort_by argument to change how the grid elements are ordered
Changed
The functions in style and transform are now also applied to tooltips.
The sizing of the iframe displaying the grid is now fully automated and more precise.
Reorganized the code to separate the JS, CSS and HTML templates.
Fixed
Fixed mols2grid.save that returned an error about missing the output argument.
The tooltip is now compatible with the "focus" mode: tooltip_trigger="focus".
Fixed rendering SVG images in tooltips.
Deprecated
Deprecated mols2grid.selection in favor of mols2grid.get_selection().
Deprecated mapping in favor of rename in the MolGrid class and mols2grid.display.