pymatgen.io.cssr module

This module provides input and output from the CSSR file format.

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.