Merge branch 'issue_67' into 'develop'

allow arbitrary ordering of Q

Closes #67

See merge request !97

GUI/DataLoaders/QREDataLoader.cpp

@@ -208,6 +208,17 @@ void QREDataLoader::deserialize(const QByteArray& data)
 
     if (s.status() != QDataStream::Ok)
         throw DeserializationException::streamError();
+
+    // If calculationErrors contains the outdated "WrongQOrder": Throw "too old".
+    // Recalculation seems to be an option, but is difficult to realize since the item's
+    // data loading takes place at another spot in the loading process (to keep compatibility).
+    // Taking the little likelihood of such a file in an old project into account, it seems to
+    // be not worth the effort to implement compatibility for such a project.
+    // #baProjectCompatibility If it is decided to break project compatibility, these lines can be
+    // removed, as well as the type WrongQOrder itself.
+    for (const auto& error : m_importResult.calculationErrors.values())
+        if (error.type == ErrorDefinition::wrongQOrder)
+            throw DeserializationException::tooOld();
 }
 
 AbstractDataLoader* QREDataLoader::clone() const
@@ -461,7 +472,6 @@ void QREDataLoader::calculateFromParseResult() const
     const int eCol = c[DataType::dR].column;
 
     QSet<double> foundQValues;
-    double lastFoundQ = std::numeric_limits<double>::quiet_NaN();
 
     for (int lineNr = 0; lineNr < m_importResult.lines.size(); lineNr++) {
         const bool skipLine = m_importResult.lines[lineNr].first;
@@ -504,11 +514,6 @@ void QREDataLoader::calculateFromParseResult() const
             continue;
         }
 
-        if (!std::isnan(lastFoundQ) && q <= lastFoundQ) {
-            m_importResult.addError(lineNr, ErrorDefinition::wrongQOrder);
-            continue;
-        }
-
         if (r > 1.0) {
             m_importResult.addError(lineNr, ErrorDefinition::RGreaterOne, r);
             continue;
@@ -524,22 +529,31 @@ void QREDataLoader::calculateFromParseResult() const
         m_importResult.eValues[lineNr] = e;
         m_importResult.validCalculatedLines++;
         foundQValues << q;
-        lastFoundQ = q;
     }
 }
 
 void QREDataLoader::createOutputDataFromParsingResult(RealDataItem* item) const
 {
-    // -- create OutputData
-    std::vector<double> qVec;
-    std::vector<double> rVec;
-
+    // create data sorted by ascending Q values.
+    // For this, the line numbers are sorted by Q
+    QVector<int> lineNumbers;
     for (int lineNr = 0; lineNr < m_importResult.lines.size(); lineNr++) {
         const bool skipLine = m_importResult.lines[lineNr].first;
         const bool lineHasError = m_importResult.calculationErrors.contains(lineNr);
         if (skipLine || lineHasError)
             continue;
 
+        lineNumbers.push_back(lineNr);
+    }
+
+    std::sort(lineNumbers.begin(), lineNumbers.end(),
+              [&](int a, int b) { return m_importResult.qValues[a] < m_importResult.qValues[b]; });
+
+    // -- create OutputData
+    std::vector<double> qVec;
+    std::vector<double> rVec;
+
+    for (auto lineNr : lineNumbers) {
         qVec.push_back(m_importResult.qValues[lineNr]);
         rVec.push_back(m_importResult.rValues[lineNr]);
     }

GUI/DataLoaders/QREDataLoader.h

@@ -85,7 +85,7 @@ private:
             none = 0,
             columnDoesNotContainValidNumber = 1,
             duplicateQ = 2,
-            wrongQOrder = 3,
+            wrongQOrder = 3, // outdated, but kept for backwards compatibility (deserialize!)
             RGreaterOne = 4,
             RLessZero = 5
         };