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: