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MatteoLacki / IsoSpec

Libraries for fine isotopic structure calculator.
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Error in the comment IsoSpec/IsoSpec++/isoSpec++.h line 67 #48

Closed lopippo closed 1 year ago

lopippo commented 1 year ago

Greetings,

I suspect the comment below should have read H2O (water) in steal of H20 (twenty hydrogen atoms). Or am I wrong?

int allDim; /!< The total number of isotopes of elements present in a chemical formula, e.g. for H20 it is 2+3=5. /

Thanks for this amaizing software! Sincerely Filippo

MatteoLacki commented 1 year ago

Hello,

Sure, it was supposed to be H2O. I have a terrible problem with this particular typo, as not all fonts have a good distinction between the two... The calculation would make obviously no sense for H20.

Best wishes,

Mateusz Krzysztof Łącki

tel. +49 159 01681376

GitHub: MatteoLacki https://github.com/MatteoLacki

On Sun, Jan 29, 2023 at 1:02 PM lopippo @.***> wrote:

Greetings,

I suspect the comment below should have read H2O (water) in steal of H20 (twenty hydrogen atoms). Or am I wrong?

int allDim; /!< The total number of isotopes of elements present in a chemical formula, e.g. for H20 it is 2+3=5. /

Thanks for this amaizing software! Sincerely Filippo

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michalsta commented 1 year ago

Woah, nicely spotted, thanks. Fixed by a67cd33758b14c9c11e5903b5e94133149f4acd9