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avoid uncontrollable printing

Open loriab opened this issue 2 months ago • 3 comments

Description

Addresses #368 as stated. I moved the printing to the error msg and allowed verbose to be passed through from Mol creation. But I wonder if your trouble was definitely around line 522 (which only printed when it was about to throw) or similar content around line 563, @jaclark5?

Changelog description

Status

  • [ ] Code base linted
  • [ ] Ready to go

loriab avatar Oct 07 '25 07:10 loriab

Codecov Report

:x: Patch coverage is 71.42857% with 2 lines in your changes missing coverage. Please review. :white_check_mark: Project coverage is 90.43%. Comparing base (2cc11b4) to head (47f179f). :warning: Report is 1 commits behind head on master.

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codecov[bot] avatar Oct 07 '25 07:10 codecov[bot]

@loriab I made this issue a while ago so I don't remember for sure, but I did find this annoying and did my best to run it down so if I trust "past-me" then I'll say I'm 97% sure this is the line that's an issue.

I added a reproducible example in my original issue, https://github.com/MolSSI/QCElemental/issues/368#issuecomment-3492466706, to test it.

jaclark5 avatar Nov 05 '25 17:11 jaclark5

@loriab I can confirm that this branch resolves the issue

jaclark5 avatar Nov 05 '25 19:11 jaclark5