aiidalab_widgets_base.data package#

Module contents#

Useful functions that provide access to some data.

class aiidalab_widgets_base.data.FunctionalGroupSelectorWidget(**kwargs: Any)[source]#

Bases: Dropdown

Class to select functional groups that are returned as Atoms object

__annotations__ = {}#
__init__(value=0, description='Select functional group', **kwargs)[source]#

Public constructor

__module__ = 'aiidalab_widgets_base.data'#
_all_trait_default_generators: t.Dict[str, t.Any] = {'_display_callbacks': <bound method TraitType.default of <traitlets.traitlets.Instance object>>, '_dom_classes': <bound method TraitType.default of <ipywidgets.widgets.trait_types.TypedTuple object>>, '_model_module': <bound method TraitType.default of <traitlets.traitlets.Unicode object>>, '_model_module_version': <bound method TraitType.default of <traitlets.traitlets.Unicode object>>, '_model_name': <bound method TraitType.default of <traitlets.traitlets.Unicode object>>, '_msg_callbacks': <bound method TraitType.default of <traitlets.traitlets.Instance object>>, '_options_labels': <bound method TraitType.default of <ipywidgets.widgets.trait_types.TypedTuple object>>, '_property_lock': <bound method TraitType.default of <traitlets.traitlets.Dict object>>, '_states_to_send': <bound method TraitType.default of <traitlets.traitlets.Set object>>, '_view_count': <bound method TraitType.default of <traitlets.traitlets.Int object>>, '_view_module': <bound method TraitType.default of <traitlets.traitlets.Unicode object>>, '_view_module_version': <bound method TraitType.default of <traitlets.traitlets.Unicode object>>, '_view_name': <bound method TraitType.default of <traitlets.traitlets.Unicode object>>, 'comm': <bound method TraitType.default of <traitlets.traitlets.Instance object>>, 'description': <bound method TraitType.default of <traitlets.traitlets.Unicode object>>, 'description_tooltip': <bound method TraitType.default of <traitlets.traitlets.Unicode object>>, 'disabled': <bound method TraitType.default of <traitlets.traitlets.Bool object>>, 'index': <bound method TraitType.default of <traitlets.traitlets.Int object>>, 'keys': <traitlets.traitlets.DefaultHandler object>, 'label': <bound method TraitType.default of <traitlets.traitlets.Unicode object>>, 'layout': <bound method TraitType.default of <ipywidgets.widgets.trait_types.InstanceDict object>>, 'log': <traitlets.traitlets.DefaultHandler object>, 'options': <bound method TraitType.default of <traitlets.traitlets.Any object>>, 'style': <bound method TraitType.default of <ipywidgets.widgets.trait_types.InstanceDict object>>, 'value': <bound method TraitType.default of <traitlets.traitlets.Any object>>}#
_descriptors = [<traitlets.traitlets.ObserveHandler object>, <traitlets.traitlets.DefaultHandler object>, <traitlets.traitlets.Instance object>, <ipywidgets.widgets.trait_types.TypedTuple object>, <traitlets.traitlets.DefaultHandler object>, <traitlets.traitlets.Unicode object>, <traitlets.traitlets.Unicode object>, <traitlets.traitlets.Unicode object>, <traitlets.traitlets.Instance object>, <ipywidgets.widgets.trait_types.TypedTuple object>, <traitlets.traitlets.ObserveHandler object>, <traitlets.traitlets.ObserveHandler object>, <traitlets.traitlets.ObserveHandler object>, <traitlets.traitlets.ObserveHandler object>, <traitlets.traitlets.Dict object>, <traitlets.traitlets.Set object>, <traitlets.traitlets.ValidateHandler object>, <traitlets.traitlets.ValidateHandler object>, <traitlets.traitlets.ValidateHandler object>, <traitlets.traitlets.ValidateHandler object>, <traitlets.traitlets.Int object>, <traitlets.traitlets.Unicode object>, <traitlets.traitlets.Unicode object>, <traitlets.traitlets.Unicode object>, <traitlets.traitlets.Instance object>, <traitlets.traitlets.Unicode object>, <traitlets.traitlets.Unicode object>, <traitlets.traitlets.Bool object>, <traitlets.traitlets.Int object>, <traitlets.traitlets.List object>, <traitlets.traitlets.Unicode object>, <ipywidgets.widgets.trait_types.InstanceDict object>, <traitlets.traitlets.Instance object>, <traitlets.traitlets.Any object>, <ipywidgets.widgets.trait_types.InstanceDict object>, <traitlets.traitlets.Any object>]#
_instance_inits = [<bound method ObserveHandler.instance_init of <traitlets.traitlets.ObserveHandler object>>, <bound method BaseDescriptor.instance_init of <traitlets.traitlets.DefaultHandler object>>, <bound method Instance.instance_init of <traitlets.traitlets.Instance object>>, <bound method BaseDescriptor.instance_init of <traitlets.traitlets.DefaultHandler object>>, <bound method Instance.instance_init of <traitlets.traitlets.Instance object>>, <bound method ObserveHandler.instance_init of <traitlets.traitlets.ObserveHandler object>>, <bound method ObserveHandler.instance_init of <traitlets.traitlets.ObserveHandler object>>, <bound method ObserveHandler.instance_init of <traitlets.traitlets.ObserveHandler object>>, <bound method ObserveHandler.instance_init of <traitlets.traitlets.ObserveHandler object>>, <bound method ValidateHandler.instance_init of <traitlets.traitlets.ValidateHandler object>>, <bound method ValidateHandler.instance_init of <traitlets.traitlets.ValidateHandler object>>, <bound method ValidateHandler.instance_init of <traitlets.traitlets.ValidateHandler object>>, <bound method ValidateHandler.instance_init of <traitlets.traitlets.ValidateHandler object>>, <bound method Instance.instance_init of <traitlets.traitlets.Instance object>>, <bound method Instance.instance_init of <ipywidgets.widgets.trait_types.InstanceDict object>>, <bound method Instance.instance_init of <traitlets.traitlets.Instance object>>, <bound method Instance.instance_init of <ipywidgets.widgets.trait_types.InstanceDict object>>]#
_static_immutable_initial_values: t.Dict[str, t.Any] = {'_model_module': '@jupyter-widgets/controls', '_model_module_version': '1.5.0', '_model_name': 'DropdownModel', '_view_count': None, '_view_module': '@jupyter-widgets/controls', '_view_module_version': '1.5.0', '_view_name': 'DropdownView', 'comm': None, 'description': '', 'description_tooltip': None, 'disabled': False, 'index': None, 'label': None, 'value': None}#
_trait_default_generators = {}#
_traits: t.Dict[str, t.Any] = {'_display_callbacks': <traitlets.traitlets.Instance object>, '_dom_classes': <ipywidgets.widgets.trait_types.TypedTuple object>, '_model_module': <traitlets.traitlets.Unicode object>, '_model_module_version': <traitlets.traitlets.Unicode object>, '_model_name': <traitlets.traitlets.Unicode object>, '_msg_callbacks': <traitlets.traitlets.Instance object>, '_options_labels': <ipywidgets.widgets.trait_types.TypedTuple object>, '_property_lock': <traitlets.traitlets.Dict object>, '_states_to_send': <traitlets.traitlets.Set object>, '_view_count': <traitlets.traitlets.Int object>, '_view_module': <traitlets.traitlets.Unicode object>, '_view_module_version': <traitlets.traitlets.Unicode object>, '_view_name': <traitlets.traitlets.Unicode object>, 'comm': <traitlets.traitlets.Instance object>, 'description': <traitlets.traitlets.Unicode object>, 'description_tooltip': <traitlets.traitlets.Unicode object>, 'disabled': <traitlets.traitlets.Bool object>, 'index': <traitlets.traitlets.Int object>, 'keys': <traitlets.traitlets.List object>, 'label': <traitlets.traitlets.Unicode object>, 'layout': <ipywidgets.widgets.trait_types.InstanceDict object>, 'log': <traitlets.traitlets.Instance object>, 'options': <traitlets.traitlets.Any object>, 'style': <ipywidgets.widgets.trait_types.InstanceDict object>, 'value': <traitlets.traitlets.Any object>}#
property anchoring_atom#

Return anchoring atom chemical symbol.

rotate(align_to=(0, 0, 1), remove_anchor=False)[source]#

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