aiidalab_widgets_base.data package

Module contents

Useful functions that provide access to some data.

class aiidalab_widgets_base.data.FunctionalGroupSelectorWidget(*args: t.Any, **kwargs: t.Any)

Bases: Dropdown

Class to select functional groups that are returned as Atoms object

property anchoring_atom

Return anchoring atom chemical symbol.

rotate(align_to=(0, 0, 1), remove_anchor=False)

Rotate group in such a way that vector which was (-1,-1,-1) is alligned with align_to.

aiidalab_widgets_base.data.LigandSelectorWidget

alias of FunctionalGroupSelectorWidget