tests: Refactor testing framework

[LecrisUT]

This PR simply moves the tests around to either unit_tests, integration_tests (currently none) or functional_tests.

TODO:

• Check if there are any other non-functional tests in the list

[codecov-commenter]

Codecov Report

Patch coverage has no change and project coverage change: -0.02 ⚠️

Comparison is base (d6fcbe8) 86.09% compared to head (4aa0806) 86.07%.

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Additional details and impacted files

@@             Coverage Diff             @@
##           develop     #300      +/-   ##
===========================================
- Coverage    86.09%   86.07%   -0.02%     
===========================================
  Files           23       23              
  Lines         6069     6069              
===========================================
- Hits          5225     5224       -1     
- Misses         844      845       +1     

Flag	Coverage Δ
c_api	76.48% <ø> (-0.02%)	⬇️
fortran_api	37.46% <ø> (ø)
python_api	82.83% <ø> (ø)
unit_tests	76.48% <ø> (?)

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see 1 file with indirect coverage changes

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[lan496]

Can you explain the difference between test/functional and test/unit?

[LecrisUT]

Can you explain the difference between test/functional and test/unit?

I wrote it in another PR, but:

Unit/integration/functional test

unit test

• runs a single self-contained internal function, e.g. constructing and destructing the lattice object
• it does not touch any physical aspects
• used to debug compilation, segmentation issues etc.
• the main thing to investigate in codecov

functional test

• runs the full calculation as the user would be doing
• requires input data
• tests the physical aspects of the library

integration test (yes, there's one more technically)

• middle step between unit and functional test. Runs multiple fumctions covered by unit tests or the higher level functions
• tests if the data is transfered correctly between the functions, mainly for segmentation faults and unexpected crashes in the manipulation of data

So in this case, because most of the tests are calling through spglib.h directly most of them are functional tests (what the user would be using)

• Example of unit-tests: constructor/destructor, individual maths operations, individual operations like search symmetry (constructors/destructors must be handled by the test fixture, not the api)
• Example of functional test: calling api functions like spg_get_hall_number_from_symmetry

There are edge-cases like spg_get_spacegroup_type where it is an api, but it only calls constructors, and because there is no complicated logic that calls other units, I consider this as a unit test.

[lan496]

Thanks for your explanation. I confused the distinction between unit and functional.

[lan496]

@atztogo LGTM. Do you have any comment? This PR touches a lot of files, so I think it is necessary to consult on you.

[atztogo]

Thanks @LecrisUT and @lan496. I confirmed pytest works on my laptop, by which I am satisfied due to your agreement on other tests. Reviewing more than that requires me to take time to understand, but no problem for me to let it go than blocking.

[LecrisUT]

Yeah, but this PR only moves and renames things so it's not effecting anything atm. #303 is where things start changing