From ce4a6295dd8f17d33f43272a6f285894a0077f24 Mon Sep 17 00:00:00 2001
From: Olivier Langella <olivier.langella@u-psud.fr>
Date: Fri, 15 Mar 2019 17:32:59 +0100
Subject: [PATCH] peptide ppm delta added in spectra sheet
---
src/output/ods/spectrasheet.cpp | 12 ++++++++----
1 file changed, 8 insertions(+), 4 deletions(-)
diff --git a/src/output/ods/spectrasheet.cpp b/src/output/ods/spectrasheet.cpp
index c260028c..e5ef7694 100644
--- a/src/output/ods/spectrasheet.cpp
+++ b/src/output/ods/spectrasheet.cpp
@@ -34,7 +34,8 @@
SpectraSheet::SpectraSheet(OdsExport *p_ods_export,
CalcWriterInterface *p_writer,
- const Project *p_project, const QString &sheet_name)
+ const Project *p_project,
+ const QString &sheet_name)
: _p_project(p_project)
{
_p_ods_export = p_ods_export;
@@ -113,6 +114,7 @@ SpectraSheet::writeHeaders(IdentificationGroup *p_ident)
_p_writer->writeCell("Best E-value");
_p_writer->writeCell("Best hyperscore");
writeCellHeader(PeptideListColumn::delta_mhplus);
+ writeCellHeader(PeptideListColumn::delta_ppm);
}
void
@@ -160,6 +162,7 @@ SpectraSheet::writeBestPeptideEvidence(
p_peptide_evidence->getParam(PeptideEvidenceParam::tandem_hyperscore)
.toDouble());
_p_writer->writeCell(p_peptide_evidence->getDeltaMass());
+ _p_writer->writeCell(p_peptide_evidence->getPpmDeltaMass());
}
void
@@ -175,7 +178,8 @@ SpectraSheet::writeIdentificationGroup(IdentificationGroup *p_ident)
group_pair.second.get()->getPeptideEvidenceList();
std::sort(
- peptide_evidence_list.begin(), peptide_evidence_list.end(),
+ peptide_evidence_list.begin(),
+ peptide_evidence_list.end(),
[](const PeptideEvidence *a, const PeptideEvidence *b) {
unsigned int arank = a->getGrpPeptideSp().get()->getRank();
unsigned int ascan = a->getScan();
@@ -204,8 +208,8 @@ SpectraSheet::writeIdentificationGroup(IdentificationGroup *p_ident)
if(std::tie(arank,
p_best_peptide_evidence->getMsRunP()->getSampleName(),
ascan) !=
- std::tie(brank, peptide_evidence->getMsRunP()->getSampleName(),
- bscan))
+ std::tie(
+ brank, peptide_evidence->getMsRunP()->getSampleName(), bscan))
{
// write p_best_peptide_match
writeBestPeptideEvidence(group_pair.second.get(),
--
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