new number of distinct peptides within whole grouping experiment

src/core/identificationgroup.cpp

@@ -48,6 +48,17 @@ const GroupStore & IdentificationGroup::getGroupStore() const {
     return _group_store;
 }
 
+unsigned int IdentificationGroup::countPeptideMass(ValidationState state) const {
+
+    std::vector<pappso::GrpPeptide *> count_peptide_mass;
+    for (auto & p_protein_match : _protein_match_list) {
+        p_protein_match->countPeptideMass(count_peptide_mass, state);
+    }
+    std::sort(count_peptide_mass.begin(), count_peptide_mass.end());
+    auto last = std::unique(count_peptide_mass.begin(),count_peptide_mass.end());
+    return std::distance(count_peptide_mass.begin(),last);
+}
+
 unsigned int IdentificationGroup::countPeptideMassSample(ValidationState state) const {
 
     std::vector<std::size_t> count_peptide_mass_sample;

src/core/identificationgroup.h

@@ -50,7 +50,7 @@ public:
     void addProteinMatch(ProteinMatch * protein_match);
     std::vector<ProteinMatch *> & getProteinMatchList();
     void addIdentificationDataSourceP(IdentificationDataSource *  p_identification_source);
-    
+
     const PtmGroupingExperiment * getPtmGroupingExperiment() const;
 
     /** @brief count groups
@@ -64,32 +64,36 @@ public:
     /** @brief count proteins
      * */
     unsigned int countProteinMatch(ValidationState state) const;
-    
+
     /** @brief count decoy proteins
      * */
     unsigned int countDecoyProteinMatch(ValidationState state) const;
-    
+
     /** @brief count peptide match (peptide spectrum match + protein match)
      * */
     unsigned int countPeptideMatch(ValidationState state) const;
-    
+
     /** @brief count decoy peptide match
      * */
     unsigned int countDecoyPeptideMatch(ValidationState state) const;
-    
+
+    /** @brief count distinct peptides overall samples(peptide+mass) including peptides from decoy proteins
+     * */
+    unsigned int countPeptideMass(ValidationState state) const;
+
     /** @brief count peptide (peptide+mass+sample) including peptides from decoy proteins
      * */
     unsigned int countPeptideMassSample(ValidationState state) const;
-    
+
     /** @brief count peptide (peptide+mass+sample) only on decoy proteins
      * */
     unsigned int countDecoyPeptideMassSample(ValidationState state) const;
-    
-    /** @brief get False Discovery Rate of proteins 
+
+    /** @brief get False Discovery Rate of proteins
      */
     pappso::pappso_double getProteinFdr(ValidationState state = ValidationState::valid) const;
-    
-    /** @brief get False Discovery Rate of peptide/mass (unique sequence+modifications) 
+
+    /** @brief get False Discovery Rate of peptide/mass (unique sequence+modifications)
      */
     pappso::pappso_double getPeptideMassFdr(ValidationState state = ValidationState::valid) const;
 
@@ -114,7 +118,7 @@ public:
 
     void collectMhDelta(std::vector< pappso::pappso_double> & delta_list, pappso::PrecisionUnit unit, ValidationState state) const;
 private :
-    
+
     void addMsRunSp(MsRunSp ms_run_sp);
 private :
     GroupingExperiment * _p_grp_experiment= nullptr;

src/core/proteinmatch.cpp

@@ -179,6 +179,14 @@ const pappso::GrpProteinSp & ProteinMatch::getGrpProteinSp() const {
 }
 
 
+void ProteinMatch::countPeptideMass(std::vector<pappso::GrpPeptide *> & count_peptide_mass, ValidationState state) const {
+    for (auto & p_peptide_match : _peptide_match_list) {
+        if (p_peptide_match->getValidationState() >= state) {
+            count_peptide_mass.push_back(p_peptide_match->getGrpPeptideSp().get());
+        }
+    }
+}
+
 void ProteinMatch::countPeptideMassSample(std::vector<size_t> & count_peptide_mass_sample, ValidationState state) const {
     for (auto & p_peptide_match : _peptide_match_list) {
         if (p_peptide_match->getValidationState() >= state) {

src/core/proteinmatch.h

@@ -98,6 +98,10 @@ public:
      */
     unsigned int countSampleScan(ValidationState state, const MsRun * p_msrun_id=nullptr) const;
     
+    /** @brief count peptide (peptide+mass)
+     */
+    void countPeptideMass(std::vector<pappso::GrpPeptide *> & count_peptide_mass, ValidationState state) const;
+
     /** @brief count peptide (peptide+mass+sample)
      */
     void countPeptideMassSample(std::vector<size_t> & count_peptide_mass_sample, ValidationState state) const;

src/gui/project_view/identification_group_widget/identification_group_widget.ui

@@ -88,13 +88,27 @@
        </property>
       </widget>
      </item>
-     <item row="5" column="0">
+     <item row="6" column="0">
       <widget class="QPushButton" name="view_ptm_island_button">
        <property name="text">
         <string>View PTM islands</string>
        </property>
       </widget>
      </item>
+     <item row="5" column="0">
+      <widget class="QLabel" name="grouped_peptide_label">
+       <property name="text">
+        <string>number of grouped distinct peptides</string>
+       </property>
+      </widget>
+     </item>
+     <item row="5" column="1">
+      <widget class="QLabel" name="grouped_peptide_display">
+       <property name="text">
+        <string>0</string>
+       </property>
+      </widget>
+     </item>
     </layout>
    </item>
   </layout>

src/gui/project_view/identification_group_widget/identificationgroupwidget.cpp

@@ -73,6 +73,7 @@ void IdentificationGroupWidget::doIdentificationGroupGrouped(IdentificationGroup
         ui->group_number_display->setText(QString("%1").arg(_p_identification_group->countGroup()));
         ui->subgroup_number_display->setText(QString("%1").arg(_p_identification_group->countSubGroup()));
         ui->protein_number_display->setText(QString("%1").arg(_p_identification_group->countProteinMatch(ValidationState::grouped)));
+        ui->grouped_peptide_display->setText(QString("%1").arg(_p_identification_group->countPeptideMass(ValidationState::grouped)));
         _p_identification_group->countPeptideMatch(ValidationState::grouped);
     }
 }