Refactored GetDetOffsetsMultiPeaks for future development. Refs #8773.

mantidproject · Feb 5, 2014 · 43b66ae · 43b66ae
1 parent 5f4aa84
commit 43b66ae
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diff --git a/Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/GetDetOffsetsMultiPeaks.h b/Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/GetDetOffsetsMultiPeaks.h
@@ -4,6 +4,7 @@
 #include "MantidAPI/Algorithm.h"
 #include "MantidKernel/System.h"
 #include "MantidDataObjects/OffsetsWorkspace.h"
+#include "MantidDataObjects/EventWorkspace.h"
 #include "MantidDataObjects/TableWorkspace.h"
 #include "MantidAPI/MatrixWorkspace.h"
 #include <gsl/gsl_blas.h>
@@ -15,6 +16,24 @@ namespace Mantid
 {
 namespace Algorithms
 {
+
+struct FitPeakOffsetResult
+{
+	double mask;
+	double offset;
+	double chi2;
+	/// ???
+	double fitSum;
+	/// summation of chi-square
+	double chisqSum;
+	///
+	double peakPosFittedSize;
+	int numpeakstofit;
+	int numpeaksfitted;
+	int numpeaksindrange;
+	std::string fitoffsetstatus;
+};
+
 /**
  Find the offsets for each detector
 
@@ -65,10 +84,30 @@ class DLLExport GetDetOffsetsMultiPeaks: public API::Algorithm
   // Overridden Algorithm methods
   void init();
   void exec();
+
+  /// Generate output information table workspace
+  Mantid::DataObjects::TableWorkspace_sptr createOutputInfoTable();
+
+  /// Generate output peak information table workspace
+  Mantid::DataObjects::TableWorkspace_sptr createOutputPeakOffsetTable();
+
+  FitPeakOffsetResult calculatePeakOffset(const int wi, std::vector<double>& fittedpeakpositions, std::vector<double>& tofitpeakpositions);
+
+  void makeFitSummary(const DataObjects::TableWorkspace_sptr& infows);
+
+  API::MatrixWorkspace_sptr inputW;
+  DataObjects::EventWorkspace_const_sptr eventW;
+  bool isEvent;
+
   std::string m_backType;
   std::string m_peakType;
   double m_maxChiSq;
   double m_minPeakHeight;
+
+  double maxOffset;
+
+  std::vector<double> peakPositions;
+  std::vector<double> fitWindows;
 };
 
 } // namespace Algorithm