Refactor Units Tests - Githubissues

wavefunction91 / IntegratorXX

Reusable DFT Grids for the Masses

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

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Refactor Units Tests #65

Closed wavefunction91 closed 1 year ago

wavefunction91 commented 1 year ago

General refactor of unit tests to close out a number of open issues

Notable changes:

Removes Catch::Approx from unit tests in favor of more modern Matcher scheme
Adds custom matcher to improve output quality
Implemented a randomized polynomial scheme for the unit testing of primitive quadratures
- Changes Gauss-Chebyshev T3 to generate its "natural" bounds of [0,1] to enable simpler derivation of appropriate testing types.

Related Issues:

[x] Closes https://github.com/wavefunction91/IntegratorXX/issues/44
[x] Closes https://github.com/wavefunction91/IntegratorXX/issues/62
[x] Closes https://github.com/wavefunction91/IntegratorXX/issues/64

wavefunction91 commented 1 year ago

@susilehtola I'll propagate the improved printers to #52 once this is merged in