pyvista.GaussianCubeReader

pyvista.GaussianCubeReader#

class GaussianCubeReader(*args, **kwargs)[source]#

GaussianCubeReader for .cube files.

Examples

>>> import pyvista as pv
>>> from pyvista import examples
>>> filename = examples.download_m4_total_density(load=False)
>>> filename.split("/")[-1]  # omit the path
'm4_TotalDensity.cube'

Methods

GaussianCubeReader.read([grid])

Read the file and return the output.

Attributes

GaussianCubeReader.b_scale

Get the scaling factor to compute bonds between non-hydrogen atoms.

GaussianCubeReader.hb_scale

Get the scaling factor to compute bonds with hydrogen atoms.