pdbSile

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

PDB file object

Attributes

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

Methods

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

property base_file

File of the current Sile

dir_file(self, filename=None)

File of the current Sile

exist(self)

Query whether the file exists

property file

File of the current Sile

read(self, *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(self)

Read geometry from the contained file

read_supercell(self)

Read supercell from the contained file

write(self, *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(self, geometry)

Writes the geometry to the contained file

Parameters

geometryGeometry

the geometry to be written

write_supercell(self, sc)

Writes the supercell to the contained file