crystal_toolkit.renderables.volumetric module

crystal_toolkit.renderables.volumetric.get_isosurface_scene(self, data_key='total', isolvl=0.05, step_size=4, origin=None, **kwargs)[source]

Get the isosurface from a VolumetricData object

Parameters

  • data_key (str, optional) – Use the volumetric data from self.data[data_key]. Defaults to ‘total’.

  • isolvl (float, optional) – The cutoff for the isosurface to using the same units as VESTA so

  • independent (e/bohr and kept grid size) –

  • step_size (int, optional) – step_size parameter for marching_cubes_lewiner. Defaults to 3.

Returns

[description]

Return type

[type]

crystal_toolkit.renderables.volumetric.get_volumetric_scene(self, data_key='total', isolvl=0.02, step_size=3, **kwargs)[source]

Get the Scene object which contains a structure and a isosurface components

Parameters

  • data_key (str, optional) – Use the volumetric data from self.data[data_key]. Defaults to ‘total’.

  • isolvl (float, optional) – The cuoff for the isosurface to using the same units as VESTA so e/bhor

  • independent (and kept grid size) –

  • step_size (int, optional) – step_size parameter for marching_cubes_lewiner. Defaults to 3.

  • **kwargs – kwargs for the Structure.get_scene function

Returns

[description]

Return type

[type]