chemcoord.Cartesian.get_bond_lengths

Cartesian.get_bond_lengths(indices)

Return the distances between given atoms.

Calculates the distance between the atoms with indices i and b. The indices can be given in three ways:

• As simple list [i, b]

• As list of lists: [[i1, b1], [i2, b2]...]

• As pd.DataFrame where i is taken from the index and b from the respective column 'b'.

Parameters:

indices (list)

Returns:

Vector of angles in degrees.

Return type:

numpy.ndarray