Updated tests to Qt6

Signed-off-by: peach280 <vaishnavibhandari.128@gmail.com>

avogadro/core/elements.cpp

@@ -26,9 +26,8 @@ static std::vector<std::string> CustomElementSymbols;
 static std::vector<std::string> CustomElementNames;
 
 // Match carbon's radii
-static double CustomElementCovalentRadius = element_covalent[6];
-static double CustomElementVDWRadius = element_VDW[6];
-
+static std::vector<double> CustomElementCovalentRadii;
+static std::vector<double> CustomElementVDWRadii;
 inline std::string encodeCustomElement(unsigned char atomicNumber)
 {
   std::string result;
@@ -101,6 +100,8 @@ class InitializeCustomElementTables
   {
     CustomElementSymbols.resize(CustomElementCount);
     CustomElementNames.resize(CustomElementCount);
+    CustomElementCovalentRadii.resize(CustomElementCount, element_covalent[6]); 
+    CustomElementVDWRadii.resize(CustomElementCount, element_VDW[6]); 
     std::string suffix;
     for (unsigned char i = CustomElementMin; i <= CustomElementMax; ++i) {
       suffix = encodeCustomElement(i);
@@ -113,7 +114,19 @@ class InitializeCustomElementTables
 } CustomElementTableInitializer;
 
 } // end anon namespace
+void setCustomElementCovalentRadius(unsigned char atomicNumber, double radius)
+{
+  if (isCustomElement(atomicNumber)) {
+    CustomElementCovalentRadii[atomicNumber - CustomElementMin] = radius;
+  }
+}
 
+void setCustomElementVDWRadius(unsigned char atomicNumber, double radius)
+{
+  if (isCustomElement(atomicNumber)) {
+    CustomElementVDWRadii[atomicNumber - CustomElementMin] = radius;
+  }
+}
 unsigned char Elements::elementCount()
 {
   return element_count;
@@ -204,6 +217,8 @@ unsigned char Elements::guessAtomicNumber(const std::string& inputStr)
 
 const char* Elements::name(unsigned char atomicNumber)
 {
+  if (atomicNumber == 0) 
+    return "Centroid";  
   if (atomicNumber < element_count)
     return element_names[atomicNumber];
   else if (isCustomElement(atomicNumber))
@@ -214,6 +229,8 @@ const char* Elements::name(unsigned char atomicNumber)
 
 const char* Elements::symbol(unsigned char atomicNumber)
 {
+  if (atomicNumber == 0) 
+    return "Cen";
   if (atomicNumber < element_count)
     return element_symbols[atomicNumber];
   else if (isCustomElement(atomicNumber))
@@ -224,6 +241,8 @@ const char* Elements::symbol(unsigned char atomicNumber)
 
 double Elements::mass(unsigned char atomicNumber)
 {
+  if (atomicNumber == 0) 
+    return 0.0; 
   if (atomicNumber < element_count)
     return element_masses[atomicNumber];
   else
@@ -232,10 +251,12 @@ double Elements::mass(unsigned char atomicNumber)
 
 double Elements::radiusVDW(unsigned char atomicNumber)
 {
+  if (atomicNumber == 0) 
+    return 0.0;  
   if (atomicNumber < element_count)
     return element_VDW[atomicNumber];
   else if (isCustomElement(atomicNumber))
-    return CustomElementVDWRadius;
+    return CustomElementVDWRadii[atomicNumber - CustomElementMin];
   else
     return element_VDW[0];
 }
@@ -245,7 +266,7 @@ double Elements::radiusCovalent(unsigned char atomicNumber)
   if (atomicNumber < element_count)
     return element_covalent[atomicNumber];
   else if (isCustomElement(atomicNumber))
-    return CustomElementCovalentRadius;
+    return CustomElementCovalentRadii[atomicNumber - CustomElementMin];
   else
     return element_covalent[0];
 }

avogadro/core/elements.h

@@ -11,6 +11,11 @@
 #include <string>
 
 namespace Avogadro::Core {
+  void setCustomElementCovalentRadius(unsigned char atomicNumber, double radius);
+
+
+void setCustomElementVDWRadius(unsigned char atomicNumber, double radius);
+
 
 const unsigned char element_count = 119; //!< from 0 to 118
 

tests/CMakeLists.txt

@@ -35,12 +35,12 @@ mark_as_advanced(AVOGADRO_DATA_ROOT)
 # Add the tests for each module.
 add_subdirectory(core)
 add_subdirectory(io)
-if(USE_QT AND QT_VERSION EQUAL 5)
+if(USE_QT)
   add_subdirectory(qtgui)
 endif()
 if(USE_OPENGL)
   add_subdirectory(rendering)
-  if(USE_QT AND USE_VTK AND TEST_QTGL AND QT_VERSION EQUAL 5)
+  if(USE_QT AND USE_VTK AND TEST_QTGL)
     add_subdirectory(qtopengl)
   endif()
 endif()

tests/qtgui/CMakeLists.txt

@@ -3,7 +3,7 @@ include_directories("${CMAKE_CURRENT_BINARY_DIR}"
   "${AvogadroLibs_BINARY_DIR}/avogadro/molequeue"
   "${AvogadroLibs_SOURCE_DIR}/tests/core")
 
-find_package(Qt5 COMPONENTS Widgets Network Test REQUIRED)
+find_package(Qt6 COMPONENTS Widgets Network Test REQUIRED)
 
 # Pull in MoleQueue for QtJson
 find_package(MoleQueue REQUIRED NO_MODULE)
@@ -50,7 +50,7 @@ endforeach()
 # Add a single executable for all of our tests.
 add_executable(AvogadroQtGuiTests ${testSrcs})
 target_link_libraries(AvogadroQtGuiTests Avogadro::QtGui Avogadro::MoleQueue
-  MoleQueueClient ${GTEST_BOTH_LIBRARIES} ${EXTRA_LINK_LIB} Qt5::Widgets Qt5::Test)
+  MoleQueueClient ${GTEST_BOTH_LIBRARIES} ${EXTRA_LINK_LIB} Qt6::Widgets Qt6::Test)
 
 # Now add all of the tests, using the gtest_filter argument so that only those
 # cases are run in each test invocation.

tests/qtgui/filebrowsewidgettest.cpp

@@ -31,7 +31,7 @@ TEST(FileBrowseWidgetTest, setFileName)
 
   FileBrowseWidget widget;
 
-  QSignalSpy spy(&widget, SIGNAL(fileNameChanged(QString)));
+  QSignalSpy spy(&widget, &FileBrowseWidget::fileNameChanged);
   widget.setFileName("some file");
   EXPECT_EQ(1, spy.count());
   EXPECT_STREQ("some file", qPrintable(spy.front().front().toString()));

tests/qtgui/generichighlightertest.cpp

@@ -52,17 +52,22 @@ class GenericHighlighterHtml : public GenericHighlighter
          current = current.next()) {
       const QTextLayout* layout(current.layout());
 
-      foreach (const QTextLayout::FormatRange& range,
-               layout->additionalFormats()) {
-        const int startIdx = current.position() + range.start - selectionStart;
-        const int endIdx = startIdx + range.length;
-        if (endIdx <= 0 || startIdx >= endOfDocument)
-          continue;
-        tempCursor.setPosition(qMax(startIdx, 0));
-        tempCursor.setPosition(qMin(endIdx, endOfDocument),
-                               QTextCursor::KeepAnchor);
-        tempCursor.setCharFormat(range.format);
-      }
+      // Assuming 'layout' is a valid QTextLayout pointer and 'tempCursor' is a QTextCursor
+QList<QTextLayout::FormatRange> formats = layout->formats(); // Get the current formats
+
+for (const QTextLayout::FormatRange& range : formats) {
+    const int startIdx = current.position() + range.start - selectionStart;
+    const int endIdx = startIdx + range.length;
+
+    // Check if the range is valid
+    if (endIdx <= 0 || startIdx >= endOfDocument)
+        continue;
+
+    // Set the cursor position and apply the character format
+    tempCursor.setPosition(qMax(startIdx, 0));
+    tempCursor.setPosition(qMin(endIdx, endOfDocument), QTextCursor::KeepAnchor);
+    tempCursor.setCharFormat(range.format);
+  }
     }
 
     // Reset the user states since they are not interesting

tests/qtgui/inputgeneratortest.cpp

@@ -40,7 +40,7 @@ TEST(InputGeneratorTest, exercise)
   // Create a set of input options by setting defaults
   QJsonObject inputOptions;
   QJsonObject options;
-  foreach (const QString& optionName, userOptions.keys()) {
+  for (const QString& optionName : userOptions.keys()) {
     EXPECT_TRUE(userOptions[optionName].isObject());
     QJsonObject option(userOptions[optionName].toObject());
     QString optionType(option["type"].toString());