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compSPI / ioSPI

I/O and Data Visualization
MIT License
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Error in write_crd_file #47

Closed ninamiolane closed 2 years ago

ninamiolane commented 2 years ago

From a discussion with @luis-sribeiro:

"A test that failed is related to the write_crd_file function. I believe this function has a little problem (that I corrected in my PR). If you look at the for loops in this function, we have n_particles^2 iterations in total instead of n_particles iterations. So, the coordinate file will have additional lines that will be ignored. And because of the inner for loop, the particles are created in the same positions, but with different rotations, which basically generates a micrograph with a single particle image (they are all overlapped on top of each other).

What the function is generating: https://pastebin.com/wa8GfNRd What it should generate: https://pastebin.com/bge6aKhH "

jedyeo commented 2 years ago

good catch !

fredericpoitevin commented 2 years ago

@jedyeo is this issue resolved? Can we close?

calhep commented 2 years ago

@fredericpoitevin this issue has since been resolved!