Test driven development

[rbdavid]

Gonna create a test suite for USalign, relevant to the application presented in #1.

• Grab a set of structure pairs that align well without -mm 5 or -mm 6 (easy).
• Grab a set of structure pairs that only align well with -mm 5 or -mm 6 (hard).
• Grab a set of structure pairs that should never align well (falses).

For each pair, run the USalign standard implementations of -mm 5 and -mm 6 and save results in text files as well as parsed python objects. Ideally/locally, these results can be saved in pickle files but, for the github repo, they will be uploaded as json files instead.

These results can be then be checked against to ensure that any changes made to create python bindings aren't affecting the final results from the USalign methods.

Unfortunately, the original USalign repo does not contain a test suite and it is unclear to me if the authors have a in-home suite they use to ensure bugs do not make their way into the code base.

[rbdavid]

I really want to also add print statements to the original code implementation that reports on convergence of the SOI_iter function. Then those results can also be tested for. Maybe this is kinda boring since I won't be changing any (or much) of the internal code to the SOI_main function.

[rbdavid]

Also, if python bindings are ever gonna be created for the subfunctions called along the way, create tests for those subfunctions. But currently, the plan is only to bind the SOI_main function and leave the underlying c++ code "untouched".