From eb48c60bdec29a068a95a2148cac984b323739db Mon Sep 17 00:00:00 2001
From: Olivier Langella <olivier.langella@u-psud.fr>
Date: Mon, 12 Feb 2018 16:39:08 +0100
Subject: [PATCH] new delta MHplus column
---
src/gui/peptide_list_view/peptidetablemodel.cpp | 2 +-
src/output/ods/proteinsheet.cpp | 1 +
src/output/ods/spectrasheet.cpp | 10 ++++++++++
src/output/ods/spectrasheet.h | 2 ++
4 files changed, 14 insertions(+), 1 deletion(-)
diff --git a/src/gui/peptide_list_view/peptidetablemodel.cpp b/src/gui/peptide_list_view/peptidetablemodel.cpp
index 1de37aa8..61b4583f 100644
--- a/src/gui/peptide_list_view/peptidetablemodel.cpp
+++ b/src/gui/peptide_list_view/peptidetablemodel.cpp
@@ -339,7 +339,7 @@ const QString PeptideTableModel::getDescription(std::int8_t column) {
return "peptide theoretical MH+";
break;
case (std::int8_t) PeptideListColumn::delta_mhplus:
- return "peptide mass difference betwenn observed mass and theoretical mass";
+ return "peptide mass difference between observed mass and theoretical mass";
break;
case (std::int8_t) PeptideListColumn::hyperscore:
return "X!Tandem hyperscore";
diff --git a/src/output/ods/proteinsheet.cpp b/src/output/ods/proteinsheet.cpp
index 4be82371..4d8028ab 100644
--- a/src/output/ods/proteinsheet.cpp
+++ b/src/output/ods/proteinsheet.cpp
@@ -43,6 +43,7 @@ ProteinSheet::ProteinSheet (OdsExport * p_ods_export, CalcWriterInterface * p_wr
writeIdentificationGroup(p_ident);
}
}
+
void ProteinSheet::writeCellHeader(ProteinListColumn column) {
qDebug() << "ProteinSheet::writeCellHeader begin " << (std::int8_t) column;
_p_writer->setCellAnnotation(ProteinTableModel::getDescription(column));
diff --git a/src/output/ods/spectrasheet.cpp b/src/output/ods/spectrasheet.cpp
index 9fa49b21..c89e7cdc 100644
--- a/src/output/ods/spectrasheet.cpp
+++ b/src/output/ods/spectrasheet.cpp
@@ -45,6 +45,14 @@ SpectraSheet::SpectraSheet (OdsExport * p_ods_export, CalcWriterInterface * p_wr
}
+void SpectraSheet::writeCellHeader(PeptideListColumn column) {
+ qDebug() << "SpectraSheet::writeCellHeader begin " << (std::int8_t) column;
+ _p_writer->setCellAnnotation(PeptideTableModel::getDescription(column));
+ _p_writer->writeCell(PeptideTableModel::getTitle(column));
+ qDebug() << "SpectraSheet::writeCellHeader end" ;
+}
+
+
void SpectraSheet::writeHeaders(IdentificationGroup * p_ident) {
// Group ID Peptide ID Sample Scan Rt (minutes) Sequence (top) Modifs (top) Number of subgroups Sub-groups Ids Best E-value Best hyperscore m/z Obs Charge MH+ Obs MH+ theo DeltaMH+ Delta-ppm
@@ -80,6 +88,7 @@ void SpectraSheet::writeHeaders(IdentificationGroup * p_ident) {
}
_p_writer->writeCell("Best E-value");
_p_writer->writeCell("Best hyperscore");
+ writeCellHeader(PeptideListColumn::delta_mhplus);
}
@@ -114,6 +123,7 @@ void SpectraSheet::writeBestPeptideEvidence(const GroupingGroup * p_group,const
}
_p_writer->writeCell(p_peptide_evidence->getEvalue());
_p_writer->writeCell(p_peptide_evidence->getParam(PeptideEvidenceParam::tandem_hyperscore).toDouble());
+ _p_writer->writeCell(p_peptide_evidence->getDeltaMass());
}
diff --git a/src/output/ods/spectrasheet.h b/src/output/ods/spectrasheet.h
index c4303121..0285d7a2 100644
--- a/src/output/ods/spectrasheet.h
+++ b/src/output/ods/spectrasheet.h
@@ -33,6 +33,7 @@
#include "../../core/project.h"
#include <odsstream/calcwriterinterface.h>
#include "../../core/proteinmatch.h"
+#include "../../gui/peptide_list_view/peptidelistwindow.h"
#include "odsexport.h"
class SpectraSheet
@@ -43,6 +44,7 @@ private :
void writeIdentificationGroup(IdentificationGroup * p_ident);
void writeHeaders(IdentificationGroup * p_ident);
void writeBestPeptideEvidence(const GroupingGroup * p_group, const PeptideEvidence * p_peptide_evidence);
+ void writeCellHeader(PeptideListColumn column);
private :
OdsExport * _p_ods_export;
--
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