Refactor codes. Refs #7653.

Moved some methods belonged to ThermalNeutronBk2BkExpConvPVoigt to
IPowderDiffPeakFunction because they are used by
NeutronBk2BkExpConvPVoigt, too.

Code/Mantid/Framework/API/inc/MantidAPI/IPowderDiffPeakFunction.h

@@ -67,10 +67,10 @@ class MANTID_API_DLL IPowderDiffPeakFunction : public virtual API::ParamFunction
 
   //--------------- ThermalNeutron peak function special ---------------------------------------
   /// Set Miller Indicies
-  virtual void setMillerIndex(int h, int k, int l) = 0;
+  virtual void setMillerIndex(int h, int k, int l);
 
   /// Get Miller Index from this peak
-  virtual void getMillerIndex(int& h, int &k, int &l) = 0;
+  virtual void getMillerIndex(int& h, int &k, int &l);
 
   /// Get peak parameters
   virtual double getPeakParameter(std::string) = 0;
@@ -100,7 +100,6 @@ class MANTID_API_DLL IPowderDiffPeakFunction : public virtual API::ParamFunction
 
   /// Calculate function in a range
   using IFunction1D::function;
-
   virtual void function(std::vector<double>& out, const std::vector<double>& xValues) const = 0;
 
   /// Get maximum value on a given set of data points

Code/Mantid/Framework/API/src/IPowderDiffPeakFunction.cpp

@@ -143,6 +143,54 @@ namespace API
     return max;
   }
 
+  //----------------------------------------------------------------------------------------------
+  /** Set Miller Indices for this peak
+   */
+  void IPowderDiffPeakFunction::setMillerIndex(int h, int k, int l)
+  {
+    // Check validity and set flag
+    if (mHKLSet)
+    {
+      // Throw exception if tried to reset the miller index
+      stringstream errss;
+      errss << "ThermalNeutronBk2BkExpConvPVoigt Peak cannot have (HKL) reset.";
+      g_log.error(errss.str());
+      throw runtime_error(errss.str());
+    }
+    else
+    {
+      // Set flag
+      mHKLSet = true;
+    }
+
+    // Set value
+    mH = static_cast<int>(h);
+    mK = static_cast<int>(k);
+    mL = static_cast<int>(l);
+
+    // Check value valid or not
+    if (mH*mH + mK*mK + mL*mL < 1.0E-8)
+    {
+      stringstream errmsg;
+      errmsg << "H = K = L = 0 is not allowed";
+      g_log.error(errmsg.str());
+      throw std::invalid_argument(errmsg.str());
+    }
+
+    return;
+  }
+
+  //----------------------------------------------------------------------------------------------
+  /** Get Miller Index from this peak
+   */
+  void IPowderDiffPeakFunction::getMillerIndex(int& h, int &k, int &l)
+  {
+    h = static_cast<int>(mH);
+    k = static_cast<int>(mK);
+    l = static_cast<int>(mL);
+
+    return;
+  }
 
   //----------------------------------------------------------------------------------------------
   /** General implementation of the method for all peaks. Limits the peak evaluation to

Code/Mantid/Framework/CurveFitting/inc/MantidCurveFitting/ThermalNeutronBk2BkExpConvPVoigt.h

@@ -60,18 +60,16 @@ namespace CurveFitting
 
     //--------------- ThermalNeutron peak function special ---------------------------------------
     /// Set Miller Indicies
-    virtual void setMillerIndex(int h, int k, int l);
+    // virtual void setMillerIndex(int h, int k, int l);
 
     /// Get Miller Index from this peak
-    virtual void getMillerIndex(int& h, int &k, int &l);
+    // virtual void getMillerIndex(int& h, int &k, int &l);
 
     /// Get peak parameters
     virtual double getPeakParameter(std::string);
 
     /// Calculate peak parameters (alpha, beta, sigma2..)
-    void calculateParameters(bool explicitoutput) const;
-    //  double& dh, double& tof_h, double& eta, double& alpha, double& beta, double &H, double& sigma2,
-    // double &gamma, double &N,
+    virtual void calculateParameters(bool explicitoutput) const;
 
     /// Core function to calcualte peak values for whole region
     // void functionLocal(vector<double>& out, const vector<double> &xValues) const;
@@ -85,10 +83,10 @@ namespace CurveFitting
     */
 
     /// Override setting a new value to the i-th parameter
-    void setParameter(size_t i, const double& value, bool explicitlySet=true);
+    virtual void setParameter(size_t i, const double& value, bool explicitlySet=true);
 
     /// Override setting a new value to a parameter by name
-    void setParameter(const std::string& name, const double& value, bool explicitlySe=true);
+    virtual void setParameter(const std::string& name, const double& value, bool explicitlySe=true);
 
     /// Set peak's height
     virtual void setHeight(const double h);
@@ -187,7 +185,7 @@ inline double calCubicDSpace(double a, int h, int k, int l)
 */
 
 /// Integral for Gamma
-std::complex<double> E1(std::complex<double> z);
+std::complex<double> E1X(std::complex<double> z);
 
 } // namespace CurveFitting
 } // namespace Mantid

Code/Mantid/Framework/CurveFitting/src/ThermalNeutronBk2BkExpConvPVoigt.cpp

@@ -210,7 +210,6 @@ namespace CurveFitting
 
   //----------------------------------------------------------------------------------------------
   /** Set Miller Indices for this peak
-   */
   void ThermalNeutronBk2BkExpConvPVoigt::setMillerIndex(int h, int k, int l)
   {
     // Check validity and set flag
@@ -244,10 +243,10 @@ namespace CurveFitting
 
     return;
   }
+     */
 
   //----------------------------------------------------------------------------------------------
   /** Get Miller Index from this peak
-   */
   void ThermalNeutronBk2BkExpConvPVoigt::getMillerIndex(int& h, int &k, int &l)
   {
     h = static_cast<int>(mH);
@@ -256,8 +255,9 @@ namespace CurveFitting
 
     return;
   }
+  */
 
-    //----------------------------------------------------------------------------------------------
+  //----------------------------------------------------------------------------------------------
   /** Get peak parameters stored locally
    * Get some internal parameters values including
    * (a) Alpha, (b) Beta, (c) Gamma, (d) Sigma2
@@ -644,8 +644,8 @@ namespace CurveFitting
       const double SQRT_H_5 = sqrt(H)*.5;
       std::complex<double> p(alpha*x, alpha*SQRT_H_5);
       std::complex<double> q(-beta*x, beta*SQRT_H_5);
-      double omega2a = imag(exp(p)*E1(p));
-      double omega2b = imag(exp(q)*E1(q));
+      double omega2a = imag(exp(p)*E1X(p));
+      double omega2b = imag(exp(q)*E1X(q));
       omega2 = -1.0*N*eta*(omega2a + omega2b)*TWO_OVER_PI;
     }
     const double omega = omega1+omega2;
@@ -737,7 +737,7 @@ namespace CurveFitting
   //-------------------------  External Functions ---------------------------------------------------
   /** Implementation of complex integral E_1
    */
-  std::complex<double> E1(std::complex<double> z)
+  std::complex<double> E1X(std::complex<double> z)
   {
     const double el = 0.5772156649015328;