chemcoord.xyz_functions.concat

chemcoord.xyz_functions.concat(cartesians, ignore_index=False, keys=None)[source]

Join list of cartesians into one molecule.

Wrapper around the pandas.concat() function. Default values are the same as in the pandas function except for verify_integrity which is set to true in case of this library.

Parameters:

cartesians (Sequence[Cartesian]) – A sequence of Cartesian objects to be concatenated.
ignore_index (bool) – Behaves like in pandas.concat().
keys (Iterable | None) – If multiple levels passed, should contain tuples. Construct hierarchical index using the passed keys as the outermost level.

Returns:

A concatenated Cartesian object.

Return type:

Cartesian