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yxrmz avatar yxrmz commented on July 22, 2024

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

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yxrmz avatar yxrmz commented on July 22, 2024

@luweb the fix is applied in 0f20cd5

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luweb avatar luweb commented on July 22, 2024

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.

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yxrmz avatar yxrmz commented on July 22, 2024

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?

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luweb avatar luweb commented on July 22, 2024

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.

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