refctor: 1637 remove modules singleton (#1749)

src/classes/coreData.cpp

@@ -659,3 +659,46 @@ void CoreData::removeReferencesTo(Species *data)
             cfg->empty();
 }
 void CoreData::removeReferencesTo(SpeciesSite *data) { KeywordStore::objectNoLongerValid(data); }
+
+/*
+ * Modules
+ */
+
+// Return vector of all existing Modules
+const std::vector<Module *> CoreData::moduleInstances() const
+{
+    std::vector<Module *> result{};
+    for (auto &layer : processingLayers())
+        std::transform(layer->modules().begin(), layer->modules().end(), std::back_inserter(result),
+                       [](auto &source) { return source.get(); });
+
+    return result;
+}
+
+// Search for any instance of any module with the specified unique name
+Module *CoreData::findModule(std::string_view uniqueName) const
+{
+    auto instances = moduleInstances();
+    auto it = std::find_if(instances.begin(), instances.end(),
+                           [uniqueName](const auto *m) { return DissolveSys::sameString(m->name(), uniqueName); });
+    if (it != instances.end())
+        return *it;
+
+    return nullptr;
+}
+
+// Search for and return any instance(s) of the specified Module type
+std::vector<Module *> CoreData::allOfType(ModuleTypes::ModuleType type) const
+{
+    return allOfType(std::vector<ModuleTypes::ModuleType>{type});
+}
+
+// Search for and return any instance(s) of the specified Module type
+std::vector<Module *> CoreData::allOfType(std::vector<ModuleTypes::ModuleType> types) const
+{
+    std::vector<Module *> modules;
+    auto instances = moduleInstances();
+    std::copy_if(instances.begin(), instances.end(), std::back_inserter(modules),
+                 [&types](const auto *m) { return std::find(types.begin(), types.end(), m->type()) != types.end(); });
+    return modules;
+}

src/classes/coreData.h

@@ -7,6 +7,7 @@
 #include "classes/configuration.h"
 #include "classes/species.h"
 #include "data/elements.h"
+#include "module/types.h"
 #include "templates/optionalRef.h"
 #include <list>
 #include <memory>
@@ -189,13 +190,34 @@ class CoreData
     Configuration *findConfigurationByNiceName(std::string_view name) const;
 
     /*
-     * Layers
+     * Layers and Modules
      */
     private:
     // List of defined processing layers
     std::vector<std::unique_ptr<ModuleLayer>> processingLayers_;
 
     public:
+    // Return vector of all existing Modules
+    const std::vector<Module *> moduleInstances() const;
+    // Search for any instance of any module with the specified unique name
+    Module *findModule(std::string_view uniqueName) const;
+    // Search for and return any instance(s) of the specified Module type
+    std::vector<Module *> allOfType(ModuleTypes::ModuleType type) const;
+    std::vector<Module *> allOfType(std::vector<ModuleTypes::ModuleType> types) const;
+    template <class M> std::vector<M *> allOfType() const
+    {
+        std::vector<M *> results;
+
+        for (auto *module : moduleInstances())
+        {
+            M *castModule = dynamic_cast<M *>(module);
+            if (castModule)
+                results.push_back(castModule);
+        }
+
+        return results;
+    }
+
     // Add new processing layer
     ModuleLayer *addProcessingLayer();
     // Remove processing layer

src/gui/keywordWidgets/dialog.h

@@ -17,14 +17,14 @@ class KeywordsDialog : public QDialog
     Q_OBJECT
 
     public:
-    KeywordsDialog(QWidget *parent, const KeywordStore &keywordStore, const CoreData &coreData);
+    KeywordsDialog(QWidget *parent, const KeywordStore &keywordStore, CoreData &coreData);
     ~KeywordsDialog() = default;
 
     private:
     // Main form declaration
     Ui::KeywordsDialog ui_;
     // CoreData reference
-    const CoreData &coreData_;
+    CoreData &coreData_;
     // Whether any keywords have been modified in the current 'show'
     bool keywordsModified_{false};
     // Combined signal mask for all keyword changes

src/gui/keywordWidgets/dialogFuncs.cpp

@@ -6,8 +6,7 @@
 #include "gui/keywordWidgets/dialog.h"
 #include "keywords/organiser.h"
 
-KeywordsDialog::KeywordsDialog(QWidget *parent, const KeywordStore &keywordStore, const CoreData &coreData)
-    : coreData_(coreData)
+KeywordsDialog::KeywordsDialog(QWidget *parent, const KeywordStore &keywordStore, CoreData &coreData) : coreData_(coreData)
 {
     ui_.setupUi(this);
 

src/gui/keywordWidgets/fileAndFormat.h

@@ -15,7 +15,7 @@ class FileAndFormatKeywordWidget : public QWidget, public KeywordWidgetBase
     Q_OBJECT
 
     public:
-    FileAndFormatKeywordWidget(QWidget *parent, FileAndFormatKeyword *keyword, const CoreData &coreData);
+    FileAndFormatKeywordWidget(QWidget *parent, FileAndFormatKeyword *keyword, CoreData &coreData);
 
     /*
      * Keyword
@@ -24,6 +24,10 @@ class FileAndFormatKeywordWidget : public QWidget, public KeywordWidgetBase
     // Associated keyword
     FileAndFormatKeyword *keyword_;
 
+    protected:
+    // mutable coredata source
+    CoreData &coreData_;
+
     /*
      * Widgets
      */

src/gui/keywordWidgets/fileAndFormatFuncs.cpp

@@ -10,8 +10,8 @@
 #include <QFileDialog>
 #include <QFileInfo>
 
-FileAndFormatKeywordWidget::FileAndFormatKeywordWidget(QWidget *parent, FileAndFormatKeyword *keyword, const CoreData &coreData)
-    : QWidget(parent), KeywordWidgetBase(coreData), keyword_(keyword)
+FileAndFormatKeywordWidget::FileAndFormatKeywordWidget(QWidget *parent, FileAndFormatKeyword *keyword, CoreData &coreData)
+    : QWidget(parent), KeywordWidgetBase(coreData), keyword_(keyword), coreData_(coreData)
 {
     ui_.setupUi(this);
 

src/gui/keywordWidgets/layer.h

@@ -15,7 +15,7 @@ class LayerKeywordWidget : public QWidget, public KeywordWidgetBase
     Q_OBJECT
 
     public:
-    LayerKeywordWidget(QWidget *parent, LayerKeyword *keyword, const CoreData &coreData);
+    LayerKeywordWidget(QWidget *parent, LayerKeyword *keyword, CoreData &coreData);
 
     /*
      * Keyword
@@ -24,6 +24,10 @@ class LayerKeywordWidget : public QWidget, public KeywordWidgetBase
     // Associated keyword
     LayerKeyword *keyword_;
 
+    protected:
+    // mutable coredata source
+    CoreData &coreData_;
+
     /*
      * Widgets
      */

src/gui/keywordWidgets/layerFuncs.cpp

@@ -4,8 +4,8 @@
 #include "gui/helpers/mouseWheelAdjustmentGuard.h"
 #include "gui/keywordWidgets/layer.h"
 
-LayerKeywordWidget::LayerKeywordWidget(QWidget *parent, LayerKeyword *keyword, const CoreData &coreData)
-    : QWidget(parent), KeywordWidgetBase(coreData), keyword_(keyword)
+LayerKeywordWidget::LayerKeywordWidget(QWidget *parent, LayerKeyword *keyword, CoreData &coreData)
+    : QWidget(parent), KeywordWidgetBase(coreData), keyword_(keyword), coreData_(coreData)
 {
     // Setup our UI
     ui_.setupUi(this);

src/gui/keywordWidgets/moduleFuncs.cpp

@@ -56,7 +56,7 @@ void ModuleKeywordWidget::updateAllowedModules()
     refreshing_ = true;
 
     // Update allowed modules
-    allowedModules_ = Module::allOfType(keyword_->moduleType());
+    allowedModules_ = coreData_.allOfType(keyword_->moduleType());
     moduleModel_.setData(allowedModules_);
 
     // Set current index based on keyword data

src/gui/keywordWidgets/moduleVectorFuncs.cpp

@@ -53,7 +53,7 @@ void ModuleVectorKeywordWidget::resetModelData()
     refreshing_ = true;
 
     // Update allowed modules
-    allowedModules_ = Module::allOfType(keyword_->moduleTypes());
+    allowedModules_ = coreData_.allOfType(keyword_->moduleTypes());
     moduleModel_.setData(allowedModules_);
 
     updateSummaryText();

src/gui/keywordWidgets/producers.cpp

@@ -101,7 +101,7 @@ KeywordWidgetProducer::KeywordWidgetProducer()
  */
 
 // Produce object of specified type
-std::pair<QWidget *, KeywordWidgetBase *> KeywordWidgetProducer::produce(KeywordBase *keyword, const CoreData &coreData) const
+std::pair<QWidget *, KeywordWidgetBase *> KeywordWidgetProducer::produce(KeywordBase *keyword, CoreData &coreData) const
 {
     auto it = producers_.find(keyword->typeIndex());
     if (it == producers_.end())

src/gui/keywordWidgets/producers.h

@@ -34,7 +34,7 @@ class KeywordWidgetProducer
     // Return type
     using WidgetKeywordProduct = std::pair<QWidget *, KeywordWidgetBase *>;
     // Producer function type
-    using ProducerFunction = std::function<WidgetKeywordProduct(KeywordBase *keyword, const CoreData &coreData)>;
+    using ProducerFunction = std::function<WidgetKeywordProduct(KeywordBase *keyword, CoreData &coreData)>;
     // Producers for all data types
     std::unordered_map<std::type_index, ProducerFunction> producers_;
 
@@ -45,7 +45,7 @@ class KeywordWidgetProducer
     template <class K> void registerProducer(ProducerFunction function) { producers_[typeid(K)] = std::move(function); }
     template <class K, class W> void registerProducer()
     {
-        producers_[typeid(K *)] = [&](KeywordBase *keyword, const CoreData &coreData)
+        producers_[typeid(K *)] = [&](KeywordBase *keyword, CoreData &coreData)
         {
             // Cast the base up to the full keyword
             auto *k = dynamic_cast<K *>(keyword);
@@ -61,7 +61,7 @@ class KeywordWidgetProducer
         };
     }
     // Produce object of specified type
-    std::pair<QWidget *, KeywordWidgetBase *> produce(KeywordBase *keyword, const CoreData &coreData) const;
+    std::pair<QWidget *, KeywordWidgetBase *> produce(KeywordBase *keyword, CoreData &coreData) const;
 
     /*
      * Instance
@@ -75,7 +75,7 @@ class KeywordWidgetProducer
      */
     public:
     // Create new item via template
-    static std::pair<QWidget *, KeywordWidgetBase *> create(KeywordBase *keyword, const CoreData &coreData)
+    static std::pair<QWidget *, KeywordWidgetBase *> create(KeywordBase *keyword, CoreData &coreData)
     {
         return instance().produce(keyword, coreData);
     }

src/gui/keywordWidgets/weightedModuleVectorFuncs.cpp

@@ -58,7 +58,7 @@ void WeightedModuleVectorKeywordWidget::resetModelData()
     refreshing_ = true;
 
     // Update allowed modules
-    allowedModules_ = Module::allOfType(keyword_->moduleTypes());
+    allowedModules_ = coreData_.allOfType(keyword_->moduleTypes());
     weightedModuleModel_.setData(allowedModules_);
 
     updateSummaryText();

src/gui/keywordWidgets/widget.hui

@@ -31,7 +31,7 @@ class KeywordsWidget : public QScrollArea
 
     public:
     // Set up controls for specified keywords
-    void setUp(const KeywordStoreSection &keywordSection, const CoreData &coreData);
+    void setUp(const KeywordStoreSection &keywordSection, CoreData &coreData);
     // Create a suitable button for the named group
     static std::pair<QPushButton *, bool> buttonForGroup(std::string_view groupName);
 

src/gui/keywordWidgets/widgetFuncs.cpp

@@ -24,7 +24,7 @@ KeywordsWidget::KeywordsWidget(QWidget *parent) : QScrollArea(parent)
  */
 
 // Set up controls for specified keywords
-void KeywordsWidget::setUp(const KeywordStoreSection &keywordSection, const CoreData &coreData)
+void KeywordsWidget::setUp(const KeywordStoreSection &keywordSection, CoreData &coreData)
 {
     keywordWidgets_.clear();