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Errors in parsing should throw an exception #34

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mfherbst opened this issue Apr 8, 2023 · 2 comments
Open

Errors in parsing should throw an exception #34

mfherbst opened this issue Apr 8, 2023 · 2 comments

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@mfherbst
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mfherbst commented Apr 8, 2023

I find it a bit counterintuitive that erroneous XYZ files only print something (to stderr I believe) but otherwise simply return an empty list. Instead I would have expected an exception with the error to be raised.

@mfherbst
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mfherbst commented Apr 8, 2023

Just to show a case in point: #35 was initially obfuscated by this behaviour and took me a bit to figure out what's the problem.

@jameskermode
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jameskermode commented Sep 20, 2023

As you may have seen I'm very belatedly catching up on these issues. I agree with this one as well, but it will require changes in the underlying C library. I've opened an issue at libAtoms/extxyz#14

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