Added description to prepareExtractionCoordinates_ function, need review - #2
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shubham1637 wants to merge 2 commits into
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Added description to prepareExtractionCoordinates_ function, need review#2shubham1637 wants to merge 2 commits into
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hroest
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Apr 2, 2018
| // chrom_list contains list of pointers for empty chromatograms. coordinates is also an empty vector of coordinates for each chromatogram. | ||
| // transition_exp_used contains peptide name, protein name. Is transition_exp_used one transition or many? | ||
| // trafo_inverse has mapping from iRT to seconds. cp has further params for extracting chromatogram. | ||
| // For example, function will fill one coordinate as : 400 Th, 785 Th, (1800 + 300)s, (1800 -300)s, id. |
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I suggest to actually annotate functions in the header since this then also shows up in the documentation, also we already have some documentation there so you may want to merely enhance it: OpenMS/src/openms/include/OpenMS/ANALYSIS/OPENSWATH/OpenSwathWorkflow.h Lines 316 to 337 in c648c46 |
hroest
reviewed
Apr 2, 2018
| for (std::vector< ChromatogramExtractor::ExtractionCoordinates >::iterator it = coordinates.begin(); it != coordinates.end(); ++it) | ||
| { | ||
| it->rt_start = trafo_inverse.apply(it->rt_start) - (cp.rt_extraction_window + cp.extra_rt_extract)/ 2.0; | ||
| {// iterator it parse through complete vector of coordinates and all transitions have RT end/start set to +/-300 seconds. |
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probably we dont want to write explicit numbers in here as 300 seconds is just an example value, not a fixed value
hroest
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Co-authored-by: Arraxx <kumaramanjha2901@gmail.com>
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* read swath window file with no header In response to OpenMS#6055 allow openSwath to be able to read window files with no header. * fix lint * Revert "fix lint" This reverts commit 83875b6. * Apply suggestions from code review * change std::cout to OPENMS_LOG_INFO * In header check, check for "e" float nums previous check would not detect examples like 4e2 as a valid swath window (and would put this as a header instead). Allow "e" characters to be supported. Also revert back to std::cout because OPENMS_LOG_INFO does not seem to be working. * minor style edits * replace std:cerr and std::cout with OPENMS LOG when use std::endl instead of \n the OPENMS LOG statements work * accept tab deliminators allow for headers separated by tab deliminators to also be accepted Co-authored-by: GitHub Linter <lint@github.com> Co-authored-by: Timo Sachsenberg <timo.sachsenberg@uni-tuebingen.de>
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[FIX] Add new DBsearchDeconvMass util to list of executables to be built (and documented)
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I added some description to the prepareExtractionCoordinates_ function. I am not sure about the transition_exp_used size.