Initial test writing - Githubissues

InfluenceFunctional / MXtalTools

BSD 3-Clause "New" or "Revised" License

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Closed InfluenceFunctional closed 1 year ago

InfluenceFunctional commented 1 year ago

Some work had been done on this prior, but there is much left to do.

unit tests for utils functions
tests for supercell builder (mostly already done) - check that the constructed cells, reference cells, and cell parameters all agree.
end-to-end tests
for now, no additional tests in dataset construction. It already has a bunch of asserts.

InfluenceFunctional commented 1 year ago

utils tests complete

InfluenceFunctional commented 1 year ago

crystal builder tests complete

InfluenceFunctional commented 1 year ago

crystal builder subtasks complete

InfluenceFunctional commented 1 year ago

end-to-end tests complete

will come with next commit