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cache_selection=True allows to retrieve the checkbox state when re-displaying a grid,
as long as they have the same name. Fixes #22
prerender=False moves the rendering of molecule images from Python to the browser and
only when the molecule is on the current page, giving a performance boost and allowing
to process much larger files. Fixes #17
substruct_highlight=True highlight the atoms that matched the substructure query when
using the SMARTS search (only available when prerender=False). Fixes #18
Added CSV save option. Exports all the data present in subset and tooltip for the
current selection
Support for .sdf.gz files
Added automated tests of the interface, which should prevent future updates from
breaking things
Changed
Python 3.6 is no longer supported
Molecule images are now generated by the web browser (see prerender=False argument)
The coordinates of the input file are now ignored by default (use_coords=False). This
change was made to comply with generating images from SMILES string with the browser by
default.
Python callbacks are now automatically registered in Google Colab
Javascript callbacks can access RDKit as either RDKit or RDKitModule
The "img" field is now available from the callback data
The subset parameter now throws an error if "img" is not present
Clicking "Check all"/"Uncheck all" should now be faster
Bumped RDKit JS version to 2021.9.4 to better support moldrawoptions
Installation now requires jinja2>=2.11.0 to prevent an error when given a pathlib.Path
object instead of a string
Fixed
Callbacks now work when selection=False. Fixes: Issue #22
Using both transform and style should now display the labels as expected in the
tooltip
Fixed a race condition when clicking checkboxes on different grids
Fixed the gap argument not being properly taken into account
Automatic resizing of the iframe (used in mols2Grid.display) should now work even
better