moldenSile

class sisl.io.molden.moldenSile(filename, mode='r', comment=None, *args, **kwargs)

Molden file object

Attributes

base_file	File of the current Sile
file	File of the current Sile

Methods

__init__(filename[, mode, comment])	Initialize self.
dir_file([filename])	File of the current Sile
exist()	Query whether the file exists
read(*args, **kwargs)	Generic read method which should be overloaded in child-classes
write(*args, **kwargs)	Generic write method which should be overloaded in child-classes
write_geometry(geom[, fmt])	Writes the geometry to the contained file
write_supercell(sc)	Writes the supercell to the contained file

base_file

File of the current Sile

dir_file(filename=None)

File of the current Sile

exist()

Query whether the file exists

file

File of the current Sile

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.

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(geom, fmt='.8f')

Writes the geometry to the contained file

write_supercell(sc)

Writes the supercell to the contained file