added calculate chisq/maxLH only once without fitting and send the result to the stdout

src/classes/PFitter.cpp

@@ -58,9 +58,10 @@ using namespace std;
  *
  * \param runInfo
  * \param runListCollection
+ * \param chisq_only
  */
-PFitter::PFitter(PMsrHandler *runInfo, PRunListCollection *runListCollection) :
-  fRunInfo(runInfo)
+PFitter::PFitter(PMsrHandler *runInfo, PRunListCollection *runListCollection, bool chisq_only) :
+  fChisqOnly(chisq_only), fRunInfo(runInfo)
 {
   fUseChi2 = true; // chi^2 is the default
 
@@ -111,14 +112,35 @@ PFitter::~PFitter()
  */
 bool PFitter::DoFit()
 {
+  // feed minuit parameters
+  SetParameters();
+
+  // check if only chisq/maxLH shall be calculated once
+  if (fChisqOnly) {
+    std::vector<double> param = fMnUserParams.Params();
+    std::vector<double> error = fMnUserParams.Errors();
+    int usedParams = 0;
+    for (unsigned int i=0; i<error.size(); i++) {
+      if (error[i] != 0.0)
+        usedParams++;
+    }
+    int ndf = fFitterFcn->GetTotalNoOfFittedBins() - usedParams;
+    double val = (*fFitterFcn)(param);
+    if (fUseChi2) {
+      cout << endl << endl << ">> chisq = " << val << ", NDF = " << ndf << ", chisq/NDF = " << val/ndf;
+    } else { // max. log likelihood
+      cout << endl << endl << ">> maxLH = " << val << ", NDF = " << ndf << ", maxLH/NDF = " << val/ndf;
+    }
+    cout << endl << endl;
+    return true;
+  }
+
+  // real fit wanted
   if (fUseChi2)
     cout << endl << "Chi Square fit will be executed" << endl;
   else
     cout << endl << "Maximum Likelihood fit will be executed" << endl;
 
-  // feed minuit parameters
-  SetParameters();
-
   bool status;
   // init positive errors to default false, if minos is called, it will be set true there
   for (unsigned int i=0; i<fParams.size(); i++) {

src/include/PFitter.h

@@ -63,7 +63,7 @@ Will handle all the possible minuit commands and actually do things ...
 class PFitter
 {
   public:
-    PFitter(PMsrHandler *runInfo, PRunListCollection *runListCollection);
+    PFitter(PMsrHandler *runInfo, PRunListCollection *runListCollection, bool chisq_only = false);
     virtual ~PFitter();
 
     bool IsValid() { return fIsValid; }
@@ -71,6 +71,7 @@ class PFitter
 
   private:
     bool fIsValid;
+    bool fChisqOnly;
     bool fUseChi2;
 
     PMsrHandler *fRunInfo;

src/musrfit.cpp

@@ -57,7 +57,7 @@ using namespace std;
  */
 void musrfit_syntax()
 {
-  cout << endl << "usage: musrfit [<msr-file> [-k, --keep-mn2-ouput] [--debug] [--dump <type>]] | --version | --help";
+  cout << endl << "usage: musrfit [<msr-file> [-k, --keep-mn2-ouput] [-c, --chisq-only] [--debug] [--dump <type>]] | --version | --help";
   cout << endl << "       <msr-file>: msr input file";
   cout << endl << "       'musrfit <msr-file>' will execute musrfit";
   cout << endl << "       'musrfit' or 'musrfit --help' will show this help";
@@ -65,6 +65,9 @@ void musrfit_syntax()
   cout << endl << "       -k, --keep-mn2-output: will rename the files MINUIT2.OUTPUT and ";
   cout << endl << "              MINUIT2.root to <msr-file>-mn2.output and <msr-file>-mn2.root, repectively,";
   cout << endl << "              e.g. <msr-file> = 147.msr -> 147-mn2.output, 147-mn2.root";
+  cout << endl << "       -c, --chisq-only: instead of fitting the data, chisq is just calculated";
+  cout << endl << "              once and the result is set to the stdout. This feature is useful";
+  cout << endl << "              to adjust initial parameters.";
   cout << endl << "       --debug is used to print additional infos";
   cout << endl << "       --dump <type> is writing a data file with the fit data and the theory";
   cout << endl << "              <type> can be 'ascii', 'root'";
@@ -473,6 +476,7 @@ int main(int argc, char *argv[])
   int  status;
   bool debug = false;
   bool keep_mn2_output = false;
+  bool chisq_only = false;
   TString dump("");
 
   // check syntax
@@ -508,6 +512,8 @@ int main(int argc, char *argv[])
   for (int i=2; i<argc; i++) {
     if (!strcmp(argv[i], "-k") || !strcmp(argv[i], "--keep-mn2-output")) {
       keep_mn2_output = true;
+    } else if (!strcmp(argv[i], "-c") || !strcmp(argv[1], "--chisq-only")) {
+      chisq_only = true;
     } else if (!strcmp(argv[i], "--debug")) {
       debug = true;
     } else if (!strcmp(argv[i], "--dump")) {
@@ -623,14 +629,14 @@ int main(int argc, char *argv[])
   // do fitting
   PFitter *fitter = 0;
   if (success) {
-    fitter = new PFitter(msrHandler, runListCollection);
+    fitter = new PFitter(msrHandler, runListCollection, chisq_only);
     success = fitter->IsValid();
     if (success)
       fitter->DoFit();
   }
 
   // write log file
-  if (success) {
+  if (success && !chisq_only) {
     status = msrHandler->WriteMsrLogFile();
     if (status != PMUSR_SUCCESS) {
       switch (status) {
@@ -648,7 +654,7 @@ int main(int argc, char *argv[])
   }
 
   // check if dump is wanted
-  if (success && !dump.IsNull()) {
+  if (success && !dump.IsNull() && !chisq_only) {
     cout << endl << "will write dump file ..." << endl;
     dump.ToLower();
     if (dump.Contains("ascii"))
@@ -660,7 +666,7 @@ int main(int argc, char *argv[])
   }
 
   // rename MINUIT2.OUTPUT and MINUIT2.root file if wanted
-  if (keep_mn2_output) {
+  if (keep_mn2_output && !chisq_only) {
     // 1st rename MINUIT2.OUTPUT
     TString fln = TString(argv[1]);
     char ext[32];
@@ -697,7 +703,7 @@ int main(int argc, char *argv[])
     fitter = 0;
   }
 
-cout << endl << "done ..." << endl;
+  cout << endl << "done ..." << endl;
 
   return PMUSR_SUCCESS;
 }