Fix minor issues with pair energies selection

peterspackman · Sep 6, 2024 · 016704f · 016704f
1 parent 48af042
commit 016704f
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Showing 7 changed files with 110 additions and 17 deletions.
diff --git a/src/childpropertycontroller.ui b/src/childpropertycontroller.ui
@@ -2,6 +2,14 @@
 <ui version="4.0">
  <class>ChildPropertyController</class>
  <widget class="QWidget" name="ChildPropertyController">
+  <property name="geometry">
+   <rect>
+    <x>0</x>
+    <y>0</y>
+    <width>469</width>
+    <height>351</height>
+   </rect>
+  </property>
   <property name="sizePolicy">
    <sizepolicy hsizetype="MinimumExpanding" vsizetype="MinimumExpanding">
     <horstretch>0</horstretch>
@@ -768,6 +776,9 @@
             <property name="text">
              <string>Component</string>
             </property>
+            <property name="buddy">
+             <cstring>componentComboBox</cstring>
+            </property>
            </widget>
           </item>
           <item row="0" column="1">
@@ -778,6 +789,9 @@
             <property name="text">
              <string>Model</string>
             </property>
+            <property name="buddy">
+             <cstring>modelComboBox</cstring>
+            </property>
            </widget>
           </item>
          </layout>
@@ -817,6 +831,9 @@
             <property name="text">
              <string>Coloring</string>
             </property>
+            <property name="buddy">
+             <cstring>frameworkColorComboBox</cstring>
+            </property>
            </widget>
           </item>
           <item row="4" column="2">
@@ -831,6 +848,9 @@
             <property name="text">
              <string>Cutoff</string>
             </property>
+            <property name="buddy">
+             <cstring>frameworkCutoffSpinBox</cstring>
+            </property>
            </widget>
           </item>
           <item row="3" column="1">
@@ -854,6 +874,9 @@
             <property name="text">
              <string>Tube Size</string>
             </property>
+            <property name="buddy">
+             <cstring>frameworkTubeSizeSpinBox</cstring>
+            </property>
            </widget>
           </item>
           <item row="3" column="4">
@@ -884,6 +907,9 @@
             <property name="text">
              <string>Connect</string>
             </property>
+            <property name="buddy">
+             <cstring>frameworkConnectionComboBox</cstring>
+            </property>
            </widget>
           </item>
          </layout>

diff --git a/src/core/slab_options.cpp b/src/core/slab_options.cpp
@@ -1,4 +1,5 @@
 #include "slab_options.h"
+#include <array>
 
 inline constexpr std::array<SlabGenerationOptions::Mode, 5> availableModes = {
     SlabGenerationOptions::Mode::Atoms,

diff --git a/src/crystalx.cpp b/src/crystalx.cpp
@@ -295,6 +295,8 @@ void Crystalx::initConnections() {
   // Project connections - current crystal changed in some way
   connect(project, &Project::selectedSceneChanged, crystalController,
           &CrystalController::handleSceneSelectionChange);
+  connect(project, &Project::selectedSceneChanged, this,
+          &Crystalx::handleSceneSelectionChange);
   connect(project, &Project::selectedSceneChanged,
           [&](int) { glWindow->setCurrentCrystal(project); });
   connect(project, &Project::projectSaved, this, &Crystalx::updateWindowTitle);
@@ -1875,11 +1877,15 @@ void Crystalx::calculatePairEnergies(
   }
 }
 
+void Crystalx::handleSceneSelectionChange() {
+  handleStructureChange();
+}
+
 void Crystalx::handleStructureChange() {
   ChemicalStructure *structure = project->currentScene()->chemicalStructure();
   if (structure) {
     qDebug() << "Structure changed";
-
+    childPropertyController->setCurrentPairInteractions(structure->pairInteractions());
     for (auto *child : structure->children()) {
       auto *mesh = qobject_cast<Mesh *>(child);
       if (mesh) {

diff --git a/src/crystalx.h b/src/crystalx.h
@@ -150,6 +150,7 @@ private slots:
   void taskManagerTaskRemoved(TaskID);
 
   void handleStructureChange();
+  void handleSceneSelectionChange();
   void handleGenerateWavefunctionAction();
 
 private:

diff --git a/src/dialogs/celllimitsdialog.ui b/src/dialogs/celllimitsdialog.ui
@@ -73,6 +73,9 @@
         <property name="text">
          <string>b-axis</string>
         </property>
+        <property name="buddy">
+         <cstring>bAxisLowerBound</cstring>
+        </property>
        </widget>
       </item>
       <item row="0" column="1">
@@ -100,6 +103,9 @@
         <property name="text">
          <string>a-axis</string>
         </property>
+        <property name="buddy">
+         <cstring>aAxisLowerBound</cstring>
+        </property>
        </widget>
       </item>
       <item row="0" column="2">
@@ -114,6 +120,9 @@
         <property name="text">
          <string>c-axis</string>
         </property>
+        <property name="buddy">
+         <cstring>cAxisLowerBound</cstring>
+        </property>
        </widget>
       </item>
       <item row="3" column="1">
@@ -153,6 +162,9 @@
         <property name="text">
          <string>Include</string>
         </property>
+        <property name="buddy">
+         <cstring>modeComboBox</cstring>
+        </property>
        </widget>
       </item>
       <item row="0" column="1">
@@ -173,6 +185,15 @@
    </item>
   </layout>
  </widget>
+ <tabstops>
+  <tabstop>aAxisLowerBound</tabstop>
+  <tabstop>aAxisUpperBound</tabstop>
+  <tabstop>bAxisLowerBound</tabstop>
+  <tabstop>bAxisUpperBound</tabstop>
+  <tabstop>cAxisLowerBound</tabstop>
+  <tabstop>cAxisUpperBound</tabstop>
+  <tabstop>modeComboBox</tabstop>
+ </tabstops>
  <resources/>
  <connections>
   <connection>
@@ -182,8 +203,8 @@
    <slot>accept()</slot>
    <hints>
     <hint type="sourcelabel">
-     <x>248</x>
-     <y>254</y>
+     <x>260</x>
+     <y>322</y>
     </hint>
     <hint type="destinationlabel">
      <x>157</x>
@@ -198,8 +219,8 @@
    <slot>reject()</slot>
    <hints>
     <hint type="sourcelabel">
-     <x>316</x>
-     <y>260</y>
+     <x>328</x>
+     <y>322</y>
     </hint>
     <hint type="destinationlabel">
      <x>286</x>

diff --git a/src/dialogs/exportdialog.ui b/src/dialogs/exportdialog.ui
@@ -57,10 +57,20 @@
       <string>Settings</string>
      </property>
      <layout class="QGridLayout" name="gridLayout">
-      <item row="3" column="1">
-       <widget class="QLabel" name="resolutionScaleLabel">
+      <item row="3" column="3">
+       <widget class="QLabel" name="resolutionLabel">
         <property name="text">
-         <string>Resolution Scale Factor</string>
+         <string>0x0</string>
+        </property>
+       </widget>
+      </item>
+      <item row="4" column="1">
+       <widget class="QLabel" name="label">
+        <property name="text">
+         <string>Background Color</string>
+        </property>
+        <property name="buddy">
+         <cstring>backgroundColorToolButton</cstring>
         </property>
        </widget>
       </item>
@@ -81,17 +91,13 @@
         </property>
        </widget>
       </item>
-      <item row="3" column="3">
-       <widget class="QLabel" name="resolutionLabel">
+      <item row="3" column="1">
+       <widget class="QLabel" name="resolutionScaleLabel">
         <property name="text">
-         <string>0x0</string>
+         <string>Resolution Scale Factor</string>
         </property>
-       </widget>
-      </item>
-      <item row="4" column="1">
-       <widget class="QLabel" name="label">
-        <property name="text">
-         <string>Background Color</string>
+        <property name="buddy">
+         <cstring>resolutionScaleComboBox</cstring>
         </property>
        </widget>
       </item>
@@ -106,6 +112,9 @@
         <property name="text">
          <string>Destination</string>
         </property>
+        <property name="buddy">
+         <cstring>destinationLineEdit</cstring>
+        </property>
        </widget>
       </item>
       <item>
@@ -139,6 +148,12 @@
    </item>
   </layout>
  </widget>
+ <tabstops>
+  <tabstop>resolutionScaleComboBox</tabstop>
+  <tabstop>backgroundColorToolButton</tabstop>
+  <tabstop>destinationLineEdit</tabstop>
+  <tabstop>destinationBrowseButton</tabstop>
+ </tabstops>
  <resources/>
  <connections>
   <connection>

diff --git a/src/dialogs/wavefunctioncalculationdialog.ui b/src/dialogs/wavefunctioncalculationdialog.ui
@@ -36,20 +36,29 @@
        <property name="wordWrap">
         <bool>false</bool>
        </property>
+       <property name="buddy">
+        <cstring>basisComboBox</cstring>
+       </property>
       </widget>
      </item>
      <item row="0" column="0">
       <widget class="QLabel" name="programLabel">
        <property name="text">
         <string>Program</string>
        </property>
+       <property name="buddy">
+        <cstring>programComboBox</cstring>
+       </property>
       </widget>
      </item>
      <item row="1" column="0">
       <widget class="QLabel" name="methodLabel">
        <property name="text">
         <string>Method</string>
        </property>
+       <property name="buddy">
+        <cstring>methodComboBox</cstring>
+       </property>
       </widget>
      </item>
      <item row="1" column="1">
@@ -75,13 +84,19 @@
         <property name="text">
          <string>Charge</string>
         </property>
+        <property name="buddy">
+         <cstring>chargeSpinBox</cstring>
+        </property>
        </widget>
       </item>
       <item row="1" column="0">
        <widget class="QLabel" name="multiplicityLabel">
         <property name="text">
          <string>Multiplicity</string>
         </property>
+        <property name="buddy">
+         <cstring>multiplicitySpinBox</cstring>
+        </property>
        </widget>
       </item>
       <item row="1" column="1">
@@ -135,6 +150,14 @@
   </layout>
  </widget>
  <layoutdefault spacing="6" margin="11"/>
+ <tabstops>
+  <tabstop>programComboBox</tabstop>
+  <tabstop>methodComboBox</tabstop>
+  <tabstop>basisComboBox</tabstop>
+  <tabstop>chargeSpinBox</tabstop>
+  <tabstop>multiplicitySpinBox</tabstop>
+  <tabstop>editInputFileCheckbox</tabstop>
+ </tabstops>
  <resources/>
  <connections>
   <connection>