J-sync Bug #1117
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J-sync Bug #1117
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garrettwrong
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May 16, 2024
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There was a small bug in part of the J-sync algorithm used for Cn symmetric molecules. In particular, there was an error in this line
ASPIRE-Python/src/aspire/abinitio/commonline_c3_c4.py
Line 788 in 554601b
where the first term should be
s_ij_ik. The existing test did not catch this bug as the algorithm was still producing correct results since this one term was part of a larger accumulation of terms of which we only take the sign.To expose the bug in the new test we use a problem size of n=3, the smallest size for the algorithm to run since it loops over triplets of images. In this case the test fails with the bug still in place.