Simulation of the frame order models

To validate the derived frame order matrix equations for the models, the real frame order matrix values for a given parameter set can be simulated.
The following script was used for simulating the isotropic cone and pseudo-ellipse frame order matrices.
As the other models are parametric restrictions of these two models, the simpler models were not simulated.
The script allows for both an `in_frame' and `out_of_frame' or `axis2_1_3' mode to observe the components both within the motional eigenframe and in a rotated frame.
The value of VAR can be set to `ISO' for selecting the isotropic cone *θ* parameter to vary, or `X', `Y', or `Z' to vary the pseudo-ellipse *θ*_{x}, *θ*_{y}, and
*σ*_{max} parameters respectively.

frame_order/inf_frame_order.py

The relax user manual (PDF), created 2019-06-14.