Fix a bug in m/z calculation where the mass of the adduct was not being added to molecules described only as a mass with no chemical formula #3151
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…ng added to molecules described only as a mass with no chemical formula. Reported by user Trevor
nickshulman
approved these changes
Sep 10, 2024
| // Add in the "Na" of [M+Na] (or remove the 4H in [M-4H]) | ||
| foreach (var pair in Composition) | ||
| { | ||
| if (resultDict.TryGetValue(pair.Key, out var count)) |
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If you wanted, you could replace these 17 lines with:
resultDict.TryGetValue(pair.Key, out var count);
count += pair.Value;
if (count == 0)
{
resultDict.Remove(pair.Key);
}
else
{
resultDict[pair.Key] = count;
}
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* Fix a bug in m/z calculation where the mass of the adduct was not being added to molecules described only as a mass with no chemical formula. (#3151)
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Reported by user Trevor