change vector of values to separate values in function parameters

src/core/identification_sources/identificationdatasource.cpp

@@ -262,7 +262,12 @@ IdentificationDataSource::getMassSpectrumCstSPtr(unsigned int scan_number) const
 
 pappso::MassSpectrumCstSPtr
 IdentificationDataSource::getMassSpectrumCstSPtrMgfToTdf(
-  unsigned int scan_number, QString tdf_file, std::vector<double> values) const
+  unsigned int scan_number,
+  QString tdf_file,
+  int charge,
+  double mz_val,
+  double rt_sec,
+  double k0) const
 {
   qDebug() << "scan=" << scan_number;
   if(_ms_run_sp.get()->getMzFormat() != pappso::MzFormat::MGF)
@@ -307,7 +312,8 @@ IdentificationDataSource::getMassSpectrumCstSPtrMgfToTdf(
         msrun_reader_sp.get()->scanNumber2SpectrumIndex(scan_number);
     }
   std::vector<std::size_t> spectrum_result;
-  spectrum_result = msrun_reader_sp.get()->getMs2ScanFromMzRt(values);
+  spectrum_result =
+    msrun_reader_sp.get()->getMs2ScanFromMzRt(charge, mz_val, rt_sec, k0);
   qDebug() << spectrum_result.size();
   if(spectrum_result.size() == 0)
     {

src/core/identification_sources/identificationdatasource.h

@@ -63,11 +63,16 @@ class IdentificationDataSource
    * */
   virtual pappso::MassSpectrumCstSPtr
   getMassSpectrumCstSPtr(unsigned int scan_number) const;
-
+  /** @brief get the spectrum from MGF values such as precursor mz, precursor
+   * charge, RT and K0
+   * */
   pappso::MassSpectrumCstSPtr
   getMassSpectrumCstSPtrMgfToTdf(unsigned int scan_number,
                                  QString tdf_file,
-                                 std::vector<double> values) const;
+                                 int charge,
+                                 double mz_val,
+                                 double rt_sec,
+                                 double k0) const;
   /** \brief read source content to store it in project
    */
   virtual void parseTo(Project *p_project) = 0;