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[FIX] remove references to removed type 'MutableEigenMatrixXdPtr' #6

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hendrikweisser
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Fix compiler errors - untested

@hendrikweisser
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I'm testing IsobaricWorkflow with some example files from a KNIME tutorial that Timo found (https://abibuilder.cs.uni-tuebingen.de/archive/openms/Tutorials/Example_Data/IsobaricTMT/). It doesn't seem to work. I get the message "Found MS3 spectra. Assuming TMT SPS-MS3 workflow.", but after that nothing happens. Not sure if my changes in this PR caused the problem or if it was already there.

@jpfeuffer
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Probably was there. How are you generating the IDs?

@jpfeuffer
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Unless the changes generate all zero intensities after correction (i.e. due to missing copies and in-place editing of the correction matrix). But I guess you would get different behaviour.

// @jpfeuffer why shared_ptr needed here?
static void solveNNLS_(std::shared_ptr<Eigen::MatrixXd> & correction_matrix, std::vector<double> & b, std::vector<double> & x);
static void solveNNLS_(std::shared_ptr<const Eigen::MatrixXd> & correction_matrix, std::vector<double> & b, std::vector<double> & x);
// @jpfeuffer why shared_ptr needed here?
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Because that is what MutableEigenMatrixXdPtr was typedef'd to and what you got out of conversion.
Don't ask me why.

@jpfeuffer jpfeuffer merged commit 7d9c40f into jpfeuffer:feature/isobaricWorkflow Mar 15, 2024
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@hendrikweisser
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Probably was there. How are you generating the IDs?

That was part of the KNIME workflow (which Matteo ran for me). Uses MS-GF+ followed by Percolator.

@jpfeuffer
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Hmm can you upload one of those?
I only tested it quickly with blank CometAdapter back then.

@jpfeuffer
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Ok, so this dataset has no precursor windows annotated, which is weird I would say.
Nonetheless, this should be fixed in the computeSingleScanPrecursorPurities function, or before it is called, to not run into an endless loop.

@jpfeuffer
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@hendrikweisser Should be fixed in the origin PR now.

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2 participants