chemcoord.Cartesian.read_xyz

classmethod Cartesian.read_xyz(buf, start_index=0, get_bonds=True, nrows=None, engine=None)

Read a file of coordinate information.

Reads xyz-files.

Parameters:
  • buf (str, path object or file-like object) – This is passed on to pandas.read_table() and has the same constraints. Any valid string path is acceptable. The string could be a URL. Valid URL schemes include http, ftp, s3, and file. For file URLs, a host is expected. A local file could be: file://localhost/path/to/table.csv. If you want to pass in a path object, pandas accepts any os.PathLike. By file-like object, we refer to objects with a read() method, such as a file handler (e.g. via builtin open function) or StringIO.
  • start_index (int) –
  • get_bonds (bool) –
  • nrows (int) – Number of rows of file to read. Note that the first two rows are implicitly excluded.
  • engine (str) – Wrapper for argument of pandas.read_csv().
Returns:
Return type:

Cartesian