chemcoord.Cartesian.get_angle_degrees¶

Cartesian.get_angle_degrees(indices)¶

Return the angles between given atoms.

Calculates the angle in degrees between the atoms with indices i, b, a. The indices can be given in three ways:

As simple list [i, b, a]
As list of lists: [[i1, b1, a1], [i2, b2, a2]...]
As pd.DataFrame where i is taken from the index and b and a from the respective columns 'b' and 'a'.