Improve ion parsing from String #1303
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SteffenHeu
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Apr 6, 2023
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SteffenHeu
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Looks good, i guess it works as expected?
Some minor comments
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| import org.jetbrains.annotations.NotNull; | ||
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| public class StringUtils { |
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Looks more like an IonParsingUtils class. rename and move to that package?
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Its more a general StringUtils. Its mostly to grab a number that is within string or is suffix / prefix.
then some stuffed to also look for +- to also get negative / positive numbers
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The tests run smoothly |
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Added many tests and handle now many more cases for ion parsing
will parse in this order
charge is always retained by just adding or removing electrons to make up for adduct modifications where we do not know the charge.
M+Fe]+2 -- we do not know the charge of Fe here but we just calc the mass and then remove 2 electrons from it