Class Angles

Instance Methods

__init__(self, relax)
Class containing the function to calculate the XH vector from the loaded structure.

angles(self, run)
Function for calculating the XH vector from the loaded structure.

axial(self)
Function for calculating the angle alpha

wrap_angles(self, angle, lower, upper)
Convert the given angle to be between the lower and upper values.

Method Details

axial(self)

Function for calculating the angle alpha

The angle alpha is between the XH vector and the main axis of the axially symmetric diffusion tensor.