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
wherei
is taken from the index andb
anda
from the respective columns'b'
and'a'
.
Parameters: indices (list) – Returns: Vector of angles in degrees. Return type: numpy.ndarray
- As simple list