Cleaned the code. Refs #7847.

mantidproject · Sep 11, 2013 · a6368a3 · a6368a3
1 parent 23f2e64
commit a6368a3
Showing 1 changed file with 0 additions and 152 deletions.
diff --git a/Code/Mantid/Framework/CurveFitting/src/LeBailFit.cpp b/Code/Mantid/Framework/CurveFitting/src/LeBailFit.cpp
@@ -1515,159 +1515,7 @@ namespace CurveFitting
                           " unphyiscal parameters values.");
     }
 
-#if 0
-    //    Set starting parameters
-    currR = startR;
-    m_bestRwp = currR.Rwp + 0.001;
-    m_bestRp = currR.Rp + 0.001;
-    bookKeepBestMCResult(parammap, vecBkgd, currR, 0);
-
-    g_log.notice() << "[MC-Start] Random-walk Starting Rwp = " << currR.Rwp
-                   << ", Rp = " << currR.Rp << "\n";
-
-    // Random walk loops
-    // generate some MC trace structure
-    vector<double> vecIndex(maxcycles+1);
-    vector<Rfactor> vecR(maxcycles+1);
-    size_t numinvalidmoves = 0;
-    size_t numacceptance = 0;
-    bool prevcyclebetterR = true;
-
-    // Annealing record
-    int numRecentAcceptance = 0;
-    int numRecentSteps = 0;
-
-    // Loop start
-    srand(randomseed);
-
-    for (size_t icycle = 1; icycle <= maxcycles; ++icycle)
-    {
-      // Refine parameters (for all parameters in turn) to data with background removed
-      for (map<int, vector<string> >::iterator giter = m_MCGroups.begin(); giter != m_MCGroups.end(); ++giter)
-      {
-        // Propose new value for ONE AND ONLY ONE Monte Carlo parameter group
-        /*
-        int igroup = giter->first; // group id
-        g_log.debug() << "BigTrouble: Group " << igroup << "\n";
-        */
-        bool hasnewvalues = proposeNewValues(giter->second, currR, parammap, newparammap,
-                                             prevcyclebetterR);
-
-        if (!hasnewvalues)
-        {
-          // No parameter to have value updated in this MC group.  Skip evaluation of LeBail function.
-          continue;
-        }
-
-        // Evaluate LeBail function
-        map<string, double> newpardblmap = convertToDoubleMap(newparammap);
-        m_lebailFunction->setProfileParameterValues(newpardblmap);
-        bool validparams = calculateDiffractionPattern(vecX, vecPurePeak, false, false, vecBkgd,
-                                                       purepeakvalues, newR);
-        g_log.debug() << "[Calculation] Rwp = " << newR.Rwp << ", Rp = " << newR.Rp << ".\n";
-
-        // Determine whether to take the change or not
-        bool acceptchange;
-        if (!validparams)
-        {
-          ++ numinvalidmoves;
-          acceptchange = false;
-          prevcyclebetterR = false;
-        }
-        else
-        {
-          acceptchange = acceptOrDeny(currR, newR);
-
-          if (newR.Rwp < currR.Rwp)
-            prevcyclebetterR = true;
-          else
-            prevcyclebetterR = false;
-        }
-
-        g_log.debug() << "[DBx317] Step " << icycle << ": New Rwp = " << setprecision(10)
-                      << newR.Rwp << ", Rp = " << setprecision(5) << newR.Rp
-                      << "; Accepted = " << acceptchange << "; Proposed parameters valid ="
-                      << validparams << "\n";
-
-        // Apply change and book keeping
-        if (acceptchange)
-        {
-          // Apply the change to current
-          applyParameterValues(newparammap, parammap);
-          currR = newR;
-
-          // All tim ebest
-          // FIXME - [RPRWP] Use Rp now
-          if (currR.Rwp < m_bestRwp)
-          {
-            // Book keep the best
-            bookKeepBestMCResult(parammap, vecBkgd, currR, icycle);
-          }
-          // FIXME - After determining to use Rp or Rwp, this should be got into bookKeepBestMCResult
-          if (currR.Rp < m_bestRp)
-            m_bestRp = currR.Rp;
-          if (currR.Rwp < m_bestRwp)
-            m_bestRwp = currR.Rwp;
-
-          // Statistic
-          ++ numacceptance;
-          ++ numRecentAcceptance;
-        }
-        ++ numRecentSteps;
-
-        // e) Annealing
-        if (m_useAnnealing)
-        {
-          // FIXME : Here are some magic numbers
-          if (numRecentSteps == 10)
-          {
-            // i. Change temperature
-            if (numRecentAcceptance <= 2)
-            {
-              m_Temperature *= 2.0;
-            }
-            else if (numRecentAcceptance >= 8)
-            {
-              m_Temperature /= 2.0;
-            }
-            // ii  Reset counters
-            numRecentAcceptance = 0;
-            numRecentSteps = 0;
-          }
-        }
-
-        // e) Debug output
-        // exportDomainValueToFile(domain, values, "mc_step0_group0.dat");
-      } // END FOR Group
-
-      // v. Improve the background
-      // FIXME - [RPRWP] Use Rp now
-      if (currR.Rwp < m_bestRwp)
-      {
-        // FIXME - Fit background is disabled at this moment
-        // fitBackground(m_wsIndex, domainB, valuesB, background);
-      }
-
-      // vi. Record some information
-      vecIndex[icycle] = static_cast<double>(icycle);
-      if (currR.Rwp < 1.0E5)
-        vecR[icycle] = currR;
-      else
-      {
-        Rfactor dum(-1, -1);
-        vecR[icycle] = dum;
-      }
-
-      // vii. progress
-      if (icycle%10 == 0)
-        progress(double(icycle)/double(maxcycles));
-
-    } // ENDFOR MC Cycles
-
-    progress(1.0);
-#else
     doMarkovChain(parammap, vecX, vecPurePeak, vecBkgd, maxcycles, startR, randomseed);
-#endif
 
     // 5. Sum up: retrieve the best result from class variable: m_bestParameters
     Rfactor finalR(-DBL_MAX, -DBL_MAX);