GaussianCubeReader

class GaussianCubeReader(*args, **kwargs)

GaussianCubeReader for .cube files.

Wraps vtkGaussianCubeReader.

Examples

Download Python source code | Download Jupyter notebook

>>> import pyvista as pv
>>> from pyvista import examples
>>> from pathlib import Path

>>> filename = examples.download_m4_total_density(load=False)
>>> Path(filename).name
'm4_TotalDensity.cube'

Inheritance

Inherited members are documented on BaseReader, _FileIOBase.

See them all under Inherited Attributes and Inherited Methods.

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.

Inherited Attributes

_FileIOBase.extension_patterns	Return mapping from regex pattern matching associated with this class.
_FileIOBase.extensions	Return the file extensions associated with this class.
BaseReader.path	Return or set the filename or directory of the reader.
BaseReader.reader	Return the vtk Reader object.

Methods

GaussianCubeReader.read([grid, validate])

Read the file and return the output.

Inherited Methods

BaseReader.hide_progress	Hide the progress bar when loading the file.
BaseReader.show_progress	Show a progress bar when loading the file.