Issue 641: Explicitly save sampleToUpdatedRts map when loading an old…

… project, default to re-saving this old map, unless it is overwritten.
eugenemel · Jul 11, 2023 · 1a4dba7 · 1a4dba7
1 parent 2c2786a
commit 1a4dba7
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Showing 3 changed files with 18 additions and 4 deletions.
diff --git a/src/maven/projectDB.cpp b/src/maven/projectDB.cpp
@@ -1465,19 +1465,27 @@ void ProjectDB::doAlignment() {
      int segCount=0;
      while (query.next()) {
         string sampleName = query.value("name").toString().toStdString();
-        //mzUtils::replace(sampleName,".mzXML",""); //bug fix.. alignment.rt files do not strore extensions.
+        //mzUtils::replace(sampleName,".mzXML",""); //bug fix.. alignment.rt files do not store extensions.
 
         int sampleId =   query.value("sampleId").toString().toInt();
         mzSample* sample = this->getSampleById(sampleId);
         if (!sample) continue;
 		segCount++;
 
+        float rt = query.value("rt").toString().toFloat();
+        float rtUpdate = query.value("rt_update").toString().toFloat();
+
+        if (sampleToUpdatedRts.find(sample) == sampleToUpdatedRts.end()) {
+            sampleToUpdatedRts.insert(make_pair(sample, vector<pair<float, float>>{}));
+        }
+        sampleToUpdatedRts.at(sample).push_back(make_pair(rt, rtUpdate));
+
         AlignmentSegment* seg = new AlignmentSegment();
         seg->sampleName   = sampleName;
         seg->seg_start = 0;
-        seg->seg_end   = query.value("rt").toString().toFloat();
+        seg->seg_end   = rt;
         seg->new_start = 0;
-        seg->new_end   = query.value("rt_update").toString().toFloat();
+        seg->new_end   = rtUpdate;
 
        if (lastSegment and lastSegment->sampleName == seg->sampleName) {
            seg->seg_start = lastSegment->seg_end;

diff --git a/src/maven/projectDB.h b/src/maven/projectDB.h
@@ -36,6 +36,9 @@ class ProjectDB {
             map<string, shared_ptr<DirectInfusionSearchParameters>> diSearchParameters = {};
             map<string, shared_ptr<PeaksSearchParameters>> peaksSearchParameters = {};
 
+            //Issue 641: explicitly save anchor points, when they are available.
+            map<mzSample*, vector<pair<float, float>>> sampleToUpdatedRts{};
+
             //UI adjustments
             unordered_map<string, string> quantTypeMap{}; //<original, renamed>
             unordered_map<string, string> quantTypeInverseMap{}; //<renamed, original>

diff --git a/src/maven/projectdockwidget.cpp b/src/maven/projectdockwidget.cpp
@@ -749,6 +749,9 @@ void ProjectDockWidget::saveProjectSQLITE(QString filename) {
             //ui options
             project->quantTypeMap = currentProject->quantTypeMap;
             project->quantTypeInverseMap = currentProject->quantTypeInverseMap;
+
+            //RT alignment information
+            project->sampleToUpdatedRts = currentProject->sampleToUpdatedRts;
         }
     }
 
@@ -759,7 +762,7 @@ void ProjectDockWidget::saveProjectSQLITE(QString filename) {
         project->deleteAll(); //extreme, but ensures that re-saving always saves data using most recent code
         project->setSamples(sampleSet);
         project->saveSamples(sampleSet);
-        project->saveAlignment();
+        project->saveAlignment(project->sampleToUpdatedRts);
 
         unsigned int groupCount=0;