sisl.io.cubeSile
- class sisl.io.cubeSile(filename, mode='r', comment=None, *args, **kwargs)
Bases:
Sile
CUBE file object
Methods
dir_file
([filename, filename_base])File of the current
Sile
read
(*args, **kwargs)Generic read method which should be overloaded in child-classes
Returns Geometry object from the CUBE file
read_grid
([imag])Returns Grid object from the CUBE file
read_supercell
([na])Returns SuperCell object from the CUBE file
write
(*args, **kwargs)Generic write method which should be overloaded in child-classes
write_geometry
(geometry[, fmt, size, origin])Writes Geometry object attached to this grid
write_grid
(grid[, fmt, imag])Write Grid to the contained file
write_supercell
(sc[, fmt, size, origin])Writes SuperCell object attached to this grid
File of the current
Sile
File of the current
Sile
- __init__(filename, mode='r', comment=None, *args, **kwargs)
- plot
Handles all plotting possibilities for a class
- read(*args, **kwargs)
Generic read method which should be overloaded in child-classes
- Parameters
kwargs – keyword arguments will try and search for the attribute
read_<>
and call it with the remaining**kwargs
as arguments.
- read_supercell(na=False)[source]
Returns SuperCell object from the CUBE file
- Parameters
na (bool, optional) – whether to also return the number of atoms in the geometry
- to_json()
- write(*args, **kwargs)
Generic write method which should be overloaded in child-classes
- Parameters
**kwargs – keyword arguments will try and search for the attribute write_ and call it with the remaining
**kwargs
as arguments.
- write_geometry(geometry, fmt='15.10e', size=None, origin=None, *args, **kwargs)[source]
Writes Geometry object attached to this grid
- write_grid(grid, fmt='.5e', imag=False, *args, **kwargs)[source]
Write Grid to the contained file
- Parameters