sisl.io.pdbSile

class sisl.io.pdbSile(filename, *args, **kwargs)

Bases: Sile

PDB file object

Methods

base_directory([relative_to])

Retrieve the base directory of the file, relative to the path relative_to

close()

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_lattice()

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_lattice(lattice)

Writes the supercell to the contained file

base_file

File of the current Sile

file

File of the current Sile

plot

Handles all plotting possibilities for a class

__init__(filename, mode='r', *args, **kwargs)

Just to pass away the args and kwargs

base_directory(relative_to='.')

Retrieve the base directory of the file, relative to the path relative_to

property base_file

File of the current Sile

close()
dir_file(filename=None, filename_base='')

File of the current Sile

property file

File of the current Sile

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_geometry() Geometry[source]

Read geometry from the contained file

Return type:

Geometry

read_lattice() Lattice[source]

Read supercell from the contained file

Return type:

Lattice

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: Geometry)[source]

Writes the geometry to the contained file

Parameters:

geometry (Geometry) – the geometry to be written

write_lattice(lattice: Lattice)[source]

Writes the supercell to the contained file

Parameters:

lattice (Lattice)