GilsonLabUCSD/pAPRika

[TODO] Split `analysis.py`

Opened this issue · 2 comments

slochower commented

It's getting unwieldy and not everything needs to be in the same class.

jeff231li commented

Maybe to improve the speed we could Cythonize some of the code and/or parallelize. Analyzing large trajectory files and convergence analysis with fractions takes a very long time to complete.

slochower commented

That's a good idea. I think some of the for loops can probably be avoided, and if not, can be coded in C since they're generally just looping through frames or coordinates.

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