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CDMS: fix MOLWT column starting position #3094

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kmaitreys
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Now the molecule tag 100501 and others work. Earlier they were crashing with

ValueError: invalid literal for int() with base 10: '13-'

Because that - is part of the signed TAG.

@bsipocz bsipocz changed the title fix MOLWT column starting position CDMS: fix MOLWT column starting position Sep 18, 2024
@bsipocz bsipocz added this to the v0.4.8 milestone Sep 18, 2024
@bsipocz bsipocz added the cdms label Sep 18, 2024
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bsipocz commented Sep 18, 2024

RTD failure is unrelated and will be fixes outside this PR.

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We'll need some tests for this error. I can confirm that 100501 does not work right now:

CDMS.query_lines(10*u.GHz, 100*u.GHz, molecule='100501', parse_name_locally=False)

I tested one other case, and it worked both before & after:

CDMS.query_lines(10*u.GHz, 100*u.GHz, molecule='HCCCN', parse_name_locally=True)

so I'm going to approve this, but on my to-do list is to systematically test all molecules for failures like this.

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bsipocz commented Sep 19, 2024

In addition to putting it on the to-do, please do open an issue for it here, too.

@keflavich keflavich mentioned this pull request Sep 19, 2024
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Test failures are related

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Yeah, I'm sorry, the last commit I pushed actually broke a bunch of other molecules. So far from my testing/debugging, it looks like just changing the column numbers will not help, because the format itself is not consistent for all molecules. It needs a bit larger refactor in some parts.

I'm still up for fixing this, but couldn't due to my own work. If it's possible, I would like this to be kept open for a few weeks more.

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3 participants