pymatgen.io.cssr module

class Cssr(structure)

Bases: object

Basic object for working with Cssr file. Right now, only conversion from a Structure to a Cssr file is supported.

Parameters:structure (Structure/IStructure) – A structure to create the Cssr object.

static from_file(filename)

Reads a CSSR file to a Cssr object.

Parameters:filename (str) – Filename to read from. Returns:Cssr object.

static from_string(string)

Reads a string representation to a Cssr object.

Parameters:string (str) – A string representation of a CSSR. Returns:Cssr object.

write_file(filename)

Write out a CSSR file.

Parameters:filename (str) – Filename to write to.