Error during reading of .xyz file

[p-walt]

Code Sample, a copy-pastable example if possible

compound = cc.Cartesian.read_xyz('mm.xyz', start_index=1)
connection_table = compound.get_bonds()

When generating a z-matrix for a given .xyz file I receive the following warning that never previously occurred:

FutureWarning: Passing a set as an indexer is deprecated and will raise in a future version. Use a list instead. new_frame = data.loc[atoms, set(new_cols) - set(self.columns)] This warning is generated multiple times for each instance the function is called.

[mm.txt](https://github.com/mcocdawc/chemcoord/files/8042396/mm.txt)

[mcocdawc]

Thank you for reporting.

May I ask what your pandas version is? I don't get that warning.

[p-walt]

Hi there,

I am currently using pandas v1.4

[mcocdawc]

I am really sorry that I somehow forgot about this issue. Will close it in the referencing one.

[Mayank447]

This issue is resolved now as well.

[mcocdawc]

Indeed it is. Thank you very much!