epraya.Rotationmat

Rotationmat(Exp)

Creates the rotation matrix to pass from the Lab frame to the molecular frame.

Parameters:

Exp (Class) – Container for the experimental conditions.

Returns:

RRmatrix (np.array) – Matrix for the rotation.

Example

>>> import epraya as epr
>>> _, Exp, _=epr.Start()
>>> Exp.Sampleframe=[30,20,0]
>>> Exp.Molframe=[60,0,0]
>>> print(epr.Rotationmat(Exp))
[[ 0.5       -0.8660254  0.       ]
[ 0.         0.5        0.       ]
[ 0.         0.         1.       ]]