sisl.io.pdbSile

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

Bases: sisl.io.Sile

PDB 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
read_geometry()	Read geometry from the contained file
read_supercell()	Read supercell from the contained file
write(*args, **kwargs)	Generic write method which should be overloaded in child-classes
write_geometry(geometry)	Writes the geometry to the contained file
write_supercell(sc)	Writes the supercell to the contained file
base_file	File of the current Sile
file	File of the current Sile

__init__(filename, mode='r', comment=None, *args, **kwargs)

property base_file

File of the current Sile

dir_file(filename=None, filename_base='')

File of the current Sile

property 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.

read_geometry()

Read geometry from the contained file

read_supercell()

Read supercell from the contained file

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)

Writes the geometry to the contained file

Parameters

geometry (Geometry) – the geometry to be written

write_supercell(sc)

Writes the supercell to the contained file