fix: Species site display (#2005)

disorderedmaterials · Nov 12, 2024 · 813dfea · 813dfea
1 parent 65d2814
commit 813dfea
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Showing 2 changed files with 37 additions and 10 deletions.
diff --git a/src/gui/speciesTab.ui b/src/gui/speciesTab.ui
@@ -757,13 +757,6 @@
               <property name="bottomMargin">
                <number>4</number>
               </property>
-              <item>
-               <widget class="QCheckBox" name="SiteOriginMassWeightedCheck">
-                <property name="text">
-                 <string>Weight origin by mass</string>
-                </property>
-               </widget>
-              </item>
               <item>
                <widget class="QStackedWidget" name="SiteDefinitionStack">
                 <property name="currentIndex">
@@ -1050,6 +1043,21 @@
                 </widget>
                 <widget class="QWidget" name="FragmentSiteDefinitionPage">
                  <layout class="QVBoxLayout" name="verticalLayout_18">
+                  <property name="spacing">
+                   <number>4</number>
+                  </property>
+                  <property name="leftMargin">
+                   <number>4</number>
+                  </property>
+                  <property name="topMargin">
+                   <number>4</number>
+                  </property>
+                  <property name="rightMargin">
+                   <number>4</number>
+                  </property>
+                  <property name="bottomMargin">
+                   <number>4</number>
+                  </property>
                   <item>
                    <widget class="QGroupBox" name="FragmentNETAGroup">
                     <property name="sizePolicy">
@@ -1105,6 +1113,13 @@
                 </widget>
                </widget>
               </item>
+              <item>
+               <widget class="QCheckBox" name="SiteOriginMassWeightedCheck">
+                <property name="text">
+                 <string>Weight origin by mass</string>
+                </property>
+               </widget>
+              </item>
              </layout>
             </widget>
            </item>

diff --git a/src/gui/speciesTab_sites.cpp b/src/gui/speciesTab_sites.cpp
@@ -25,10 +25,13 @@ void SpeciesTab::updateInstanceCountGroup()
     else if (site->instances().empty())
         ui_.InstanceCountLabel->setText("0 (no instances generated)");
     else
+    {
         ui_.InstanceCountLabel->setText(
-            QString("%1 (%2 atom%3 each)")
-                .arg(QString::number(site->instances().size()), QString::number(site->instances().front().allIndices().size()),
-                     QString::fromStdString(DissolveSys::plural(site->instances().front().allIndices().size()))));
+            QString("%1 (%2 origin atom%3 each)")
+                .arg(QString::number(site->instances().size()),
+                     QString::number(site->instances().front().originIndices().size()),
+                     QString::fromStdString(DissolveSys::plural(site->instances().front().originIndices().size()))));
+    }
 }
 
 /*
@@ -169,6 +172,8 @@ void SpeciesTab::updateSitesTab()
             // Set origin atom indices
             ui_.SiteOriginAtomsEdit->setText(QString::fromStdString(
                 joinStrings(site->staticOriginAtoms(), " ", [](const auto &i) { return siteName(*i); })));
+
+            // Set mass weighted option
             ui_.SiteOriginMassWeightedCheck->setCheckState(site->originMassWeighted() ? Qt::Checked : Qt::Unchecked);
 
             // Set x axis atom indices
@@ -200,9 +205,16 @@ void SpeciesTab::updateSitesTab()
 
             // Determine if description is valid
             ui_.DescriptionValidIndicator->setOK(site->fragment().isValid());
+
+            // Set mass weighted option
+            ui_.SiteOriginMassWeightedCheck->setCheckState(site->originMassWeighted() ? Qt::Checked : Qt::Unchecked);
             break;
     }
 
+    // Set visibility of origin mass weighted check
+    ui_.SiteOriginMassWeightedCheck->setVisible(site->type() != SpeciesSite::SiteType::Dynamic);
+
+    // Update the instance counts
     updateInstanceCountGroup();
 
     // If the current site has changed, also regenerate the SpeciesSite renderable