parameters added to peptide match, hyperscore column in ODS spectra

src/core/peptidematch.cpp

@@ -45,7 +45,20 @@ void PeptideMatch::setRetentionTime(pappso::pappso_double rt) {
 void PeptideMatch::setEvalue(pappso::pappso_double evalue) {
     _evalue = evalue;
 }
-
+        
+    /** \brief set specific parameter value
+     */
+void PeptideMatch::setParam(PeptideMatchParam param, const QVariant& value) {
+    _params.insert(std::pair<PeptideMatchParam, QVariant>(param, value));
+}
+const QVariant PeptideMatch::getParam(PeptideMatchParam param) const {
+    try {
+    return _params.at(param);
+    }
+    catch (std::out_of_range) {
+        return QVariant();
+    }
+}
 
 std::size_t PeptideMatch::getHashPeptideMassSample() const {
     return PeptideMatch::_hash_fn (QString("%1 %2").arg(_peptide_sp.get()->toAbsoluteString()).arg(_msrunid_sp->getXmlId()).toStdString());

src/core/peptidematch.h

@@ -42,6 +42,15 @@ public :
     void setEvalue(pappso::pappso_double evalue);
     void setExperimentalMass(pappso::pappso_double exp_mass);
     
+        
+    /** \brief set specific parameter value
+     */
+    virtual void setParam(PeptideMatchParam param, const QVariant& value);
+    /** \brief get specific parameter value
+     */
+    virtual const QVariant getParam(PeptideMatchParam param) const;
+
+    
 /** @brief set start position of this peptide inside the protein sequence
      * @param start position in the protein amino acid sequence (starts at 0)
      * */
@@ -94,6 +103,7 @@ private :
     unsigned int _start=0;
     unsigned int _charge;
     IdentificationDataSource* _p_identification_source = nullptr;
+    std::map<PeptideMatchParam, QVariant> _params;
 
     /** @brief manually checked by user (true by default)
      */

src/input/xpipsaxhandler.cpp

@@ -239,6 +239,7 @@ bool XpipSaxHandler::startElement_peptide(QXmlAttributes attributes) {
     _p_peptide_match->setExperimentalMass(exp_mass);
     _p_peptide_match->setStart(attributes.value("start").simplified().toUInt()-1);
     _p_peptide_match->setCharge(attributes.value("charge").simplified().toUInt());
+    _p_peptide_match->setParam(PeptideMatchParam::tandem_hyperscore,  QVariant( attributes.value("hypercorr").toDouble()));
 
     IdentificationDataSource* p_identification_data_source = _p_project->getIdentificationDataSourceStore().getInstance(attributes.value("sample_file").simplified()).get();
     _p_peptide_match->setIdentificationDataSource( p_identification_data_source);

src/input/xtandemsaxhandler.cpp

@@ -293,6 +293,8 @@ bool XtandemSaxHandler::startElement_domain(QXmlAttributes attributes) {
     _p_peptide_match->setExperimentalMass(exp_mass);
     _p_peptide_match->setStart(attributes.value("start").simplified().toUInt()-1);
     _p_peptide_match->setCharge(_charge);
+    
+    _p_peptide_match->setParam(PeptideMatchParam::tandem_hyperscore,  QVariant( attributes.value("hyperscore").toDouble()));
 
     _p_peptide_match->setIdentificationDataSource( _p_identification_data_source);
     _p_peptide_match->setChecked(true);

src/utils/types.h

@@ -37,6 +37,13 @@ enum class IdentificationEngine {
     peptider ///< peptider
 };
 
+/** \def PeptideMatchParam peptide match specific parameters
+ *
+ */
+enum class PeptideMatchParam {
+    tandem_hyperscore ///< X!Tandem hyperscore
+};
+
 /** \def IdentificationEngineParam identification engine parameters
  *
  */