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WarwickMicroscopy / Felix

Felix: Bloch wave method diffraction pattern simulation software
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Dm3 read in development #174

Closed JacobJoseph-gu closed 7 years ago

JacobJoseph-gu commented 7 years ago

This includes the dm3 reader, the new experimental images folders and workflow, tidied message subroutine and some tidied comments throughout felix.

I have tested this against 79b174d1cd12f1ef42e28aca7aa96101964fdb8d using SrTiO3short. I ran diff on the final image SrTiO3+0+0+0.bin and checked that the final refinement variables were the same.

JacobJoseph-gu commented 7 years ago

I have also checked the output doing: Refining Atomic Coordinates, Refining Isotropic Debye Waller Factors, Refining by pairwise maximum gradient for Ca3Mn2O7

JacobJoseph-gu commented 7 years ago

Thank you

RudoRoemer commented 7 years ago

I was trying to set-up CircleCI, but not sure how to get it to work. Could help with automatic tests.

JacobJoseph-gu commented 7 years ago

I was thinking about the usefulness of a test suite. My process is: I have 2 github repositories. I checkout an old commit on one and the new on another. I open a terminal window for each and a script which easily runs felix on each on a corresponding sample. I can then watch the terminal outputs and later run diff on the output files.