XYZWriter

class sknano.io.xyz.XYZWriter[source] [edit on github][source]

Bases: object

StructureWriter class for writing xyz chemical file format.

Methods

write([fname, outpath, fpath, structure, atoms]) Write structure data to file.

Methods Summary

write([fname, outpath, fpath, structure, atoms]) Write structure data to file.

Methods Documentation

classmethod write(fname=None, outpath=None, fpath=None, structure=None, atoms=None, **kwargs)[source] [edit on github][source]

Write structure data to file.

Parameters:
  • fname (str, optional) – Output file name.
  • outpath (str, optional) – Output file path.
  • fpath (str, optional) – Full path (directory path + file name) to output data file.
  • atoms (Atoms) – An Atoms instance.