narupatools.nglview.show

show_*** commands for showing an NGLWidget for a given system.

Functions

show_ase	Open a NGLWidget showing the given ASE atoms object.
show_narupa	Open a NGLWidget showing the given Narupa FrameData.
show_narupatools_traj	Open a NGLWidget showing the given narupatools TrajectorySource.

narupatools.nglview.show.show_ase(atoms: ase.atoms.Atoms, /, **kwargs: Any) → nglview.widget.NGLWidget

Open a NGLWidget showing the given ASE atoms object.

This works in the same was as nglview.show_ase, except that instead of writing to a temporary file it writes to a string in memory. This prevents permission errors if the temporary file cannot be written (for example, in Jupyter notebook).

Parameters

• atoms – An ASE Atoms object to show.

• kwargs – Arguments for NGLWidget.

Returns

An NGLWidget showing the provided atoms.

narupatools.nglview.show.show_narupa(frame_data: narupa.trajectory.frame_data.FrameData, /, **kwargs: Any) → nglview.widget.NGLWidget

Open a NGLWidget showing the given Narupa FrameData.

Parameters

• frame_data – A Narupa FrameData to visualize.

• kwargs – Arguments for NGLWidget.

Returns

An NGLWidget showing the provided frame data.

narupatools.nglview.show.show_narupatools_traj(source: narupatools.frame.frame_source.TrajectorySource, /, **kwargs: Any) → nglview.widget.NGLWidget

Open a NGLWidget showing the given narupatools TrajectorySource.

Parameters

• source – Source to visualize.

• kwargs – Arguments for NGLWidget.

Returns

An NGLWidget showing the provided object.