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theochem / procrustes

Python library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.
https://procrustes.qcdevs.org/
GNU General Public License v3.0
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Refactor test symmetric.py #70

Closed Ali-Tehrani closed 3 years ago

Ali-Tehrani commented 3 years ago

This pull request changes how testing is done in symmetric.py to be more general and randomized.

The function signature of Procrustes problem with symmetric matrices is changed wrt to "remove_zero_cols" and "remove_zero_rows" to be more consistent with the other functions with "unpad_col", and "unpad_row" (90ca479).
Some tests were removed, since they were duplicates with very small matrix size being tested (223c77a). There were code that was commented out (57ffb8c) and a test (9551c87) corresponding to it that was commented out. I decided to remove them.

Ali-Tehrani commented 3 years ago

This pull request overlaps with #68 and I'll update this when #68 is submitted.

FarnazH commented 3 years ago

The failed tests are from test_generic.py, but there is a seed set at the top of this test file, so I am surprised it has failed. Probably seed was not used correctly. Edit: Just noticed your #69 @Ali-Tehrani. Thanks for tracking it donw.

FarnazH commented 3 years ago

@fwmeng88 this is not ready yet. There are a couple of things that need to be fixed. I will share them soon.