wavefunction91 / IntegratorXX

Reusable DFT Grids for the Masses
BSD 3-Clause "New" or "Revised" License
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Improve Print in Unit Tests #62

Closed wavefunction91 closed 1 year ago

wavefunction91 commented 1 year ago

Messages such as the following are less-than-meaningful:

/home/dbwy/Development/IntegratorXX/test/gausslegendre.cxx:42824: FAILED:
  REQUIRE_THAT( wgt[i], Catch::Matchers::WithinAbs(ref_wgt[i],w_tolerance) )
with expansion:
  0.0000203866 is within 0.0 of 0.1000203866

The following information should be printed in a sane manner

  1. The point index where the failure occurred
  2. Which rule generated the error should be clearly noted
  3. The observed difference between calculated and reference values (in scientific notation)
  4. Comparison epsilon should be printed in scientific notation
wavefunction91 commented 1 year ago

Closed by #65