rotationAxis for diffraction simulations

[idawod]

Hi!

I have a minor issue when trying to rotate the sample in Simex. When I change the line in

"quaternions = generateRotations(self.parameters.uniform_rotation, 'xyz', self.parameters.number_of_diffraction_patterns,)"

in 'SingFELPhotonDiffractor.py', to a different rotation, like 'y', it is overwritten and still uses 'xyz'.

I went in to the file 'radiationDamageMPI.py' and changed the line

rotationAxis = parameters['rotationAxis'] in the 'slave_diffract' function to

rotationAxis = 'y', which made it work!

Is there a way to specify in the diffraction parameters when running SingFELPhotonDiffractor() instead of manually changing in the code?

Cheers

[CFGrote]

hi @idawod, thanks for this post. we will investigate options to set the rotation axis / fix the reported overwriting. please feel free to make a pull request if you manage to fix it on your side. thanks again!

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On 10/24/19 10:50 AM, idawod wrote: Hi! I have a minor issue when trying to rotate the sample in Simex. When I change the line in "quaternions = generateRotations(self.parameters.uniform_rotation, 'xyz', self.parameters.number_of_diffraction_patterns,)" in 'SingFELPhotonDiffractor.py', to a different rotation, like 'y', it is overwritten and still uses 'xyz'. I went in to the file 'radiationDamageMPI.py' and changed the line rotationAxis = parameters['rotationAxis'] in the 'slave_diffract' function to rotationAxis = 'y', which made it work! Is there a way to specify in the diffraction parameters when running SingFELPhotonDiffractor() instead of manually changing in the code? Cheers — You are receiving this because you are subscribed to this thread. Reply to this email directly, view it on GitHub <#175>, or unsubscribe <https://github.com/notifications/unsubscribe-auth/ADWCQR6B2YBN7ZUOCOGZESLQQFOUHANCNFSM4JEQ3KBQ>.