savetxt

mdtools.file_handler.savetxt(fname, data, rename=True, **kwargs)[source]

Save an array to a text file.

Parameters:

  • fname (str or os.PathLike) – The name of the file to create.

  • data (array_like) – 1- or 2-dimensional array of data to be saved.

  • rename (bool, optional) – If True and a file called fname already exists, rename it to 'fname.bak_timestamp'. See mdtools.file_handler.backup() for more details.

  • kwargs (dict, optional) – Additional keyword arguments to parse to numpy.savetxt(). See there for possible arguments and their description. By default, fmt is set to '%16.9e'.

See also

numpy.savetxt()

Save an array to a text file

mdtools.file_handler.savetxt_matrix()

Save a data matrix to a text file

mdtools.file_handler.header_str()

Create a standard header string for text files

mdtools.file_handler.backup()

Backup a file by renaming it

Notes

This function simply calls numpy.savetxt() and adds a MDTools specific header to the output file. See mdtools.file_handler.header_str() for further information about what is included in the header.