# chemcoord.Cartesian.__init__¶

Cartesian.__init__(frame=None, atoms=None, coords=None, index=None, metadata=None, _metadata=None)

How to initialize a Cartesian instance.

Parameters: frame (pd.DataFrame) – A Dataframe with at least the columns ['atom', 'x', 'y', 'z']. Where 'atom' is a string for the elementsymbol. atoms (sequence) – A list of strings. (Elementsymbols) coords (sequence) – A n_atoms * 3 array containg the positions of the atoms. Note that atoms and coords are mutually exclusive to frame. Besides atoms and coords have to be both either None or not None. A new cartesian instance. Cartesian