Improve FindPeaks. Refs #7001.

mantidproject · May 30, 2013 · 227f891 · 227f891
1 parent a9d4cf9
commit 227f891
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Showing 4 changed files with 233 additions and 71 deletions.
diff --git a/Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/FindPeaks.h b/Code/Mantid/Framework/Algorithms/inc/MantidAlgorithms/FindPeaks.h
@@ -121,6 +121,10 @@ class DLLExport FindPeaks : public API::Algorithm
       const double& in_bg0, const double& in_bg1, const double& in_bg2);
 
   void addInfoRow(const size_t spectrum, const std::vector<double> &params, const std::vector<double> &paramsRaw, const double mincost, bool error);
+
+  /// Add the fit record (failure) to output workspace
+  void addNonFitRecord(const size_t spectrum);
+
   void updateFitResults(API::IAlgorithm_sptr fitAlg, std::vector<double> &bestEffparams, std::vector<double> &bestRawparams, double &mincost, const double expPeakPos, const double expPeakHeight);
 
   API::IFunction_sptr createFunction(const double height, const double centre, const double sigma, const double a0, const double a1, const double a2, const bool withPeak = true);
@@ -146,7 +150,7 @@ class DLLExport FindPeaks : public API::Algorithm
   PeakFittingRecord multiFitPeakBackground(API::MatrixWorkspace_sptr purepeakws, size_t purepeakindex,
                                            API::MatrixWorkspace_sptr dataws, size_t datawsindex,
                                            API::IPeakFunction_sptr peak,
-                                           double in_centre, double in_height, std::vector<double> in_sigmas,
+                                           double in_centre, double in_height, std::vector<double> in_fwhms,
                                            double peakleftboundary, double peakrightboundary);
 
   /// Set parameters values to a peak function
@@ -208,8 +212,8 @@ class DLLExport FindPeaks : public API::Algorithm
   API::IFunction_sptr m_backgroundFunction;
   API::IFunction_sptr m_peakAndBackgroundFunction;
 
-  size_t minGuessedPeakWidth;
-  size_t maxGuessedPeakWidth;
+  size_t m_minGuessedPeakWidth;
+  size_t m_maxGuessedPeakWidth;
   size_t stepGuessedPeakWidth;
 
   bool m_usePeakPositionTolerance;