problem with xrtBentXtal in Laue geometry

[luweb]

Hi, I am new to XRT and I am interested in the bent crystal reflectivity calculations at this point. I have tried to replicate pyTTE results with xrtBentXtal with no success.

This is what I am currently getting, for AlphaQuartz [100] in Laue transmission geometry:

This is my previous pyTTE result using the same parameters:

Thank you for your attention!
Any insights will be greatly appreciated.

Best,
Lucas

[yxrmz]

Hi Lucas, thanks for pointing this out. There is indeed a problem with the predefined crystal classes init. Fix on the way.

[yxrmz]

@luweb the fix is applied in 0f20cd5

[luweb]

Thank you so much for your prompt response, it seems it is working now!

On a side note, I just had a quick question: Is it possible to set the in-plane rotation angle of the lattice somehow? Unfortunately, I couldn't find the option in the gui, or in the documentation. I am looking for something like pyTTE's set_in_plane_rotation() method in the TTcrystal calss.

[yxrmz]

It'll be easy to pass it to the original TTCrystal, we didn't modify it that much, all the underlying math is there. I could even add a corresponding input in the xrtBentXtal GUI, but I'm curious what's your use case?

[luweb]

Thank you @yxrmz, that would be extremely helpful!
We are trying to come up with a design for a high-resolution Laue spectrometer.
According to pyTTE, alpha quartz in Laue geometry is sensitive to those in-plane rotations. For more details, here is a link to my discussion with aripekka:
aripekka/pyTTE#15
So, in theory this would allow tunning the response of the crystal to achieve higher resolution.