elemental_profile.h

Go to the documentation of this file.

 
#ifndef ELEMENTAL_PROFILE_H
#define ELEMENTAL_PROFILE_H
 
#include <map>
#include <string>
#include <vector>
#include <memory>
#include "interface.h"
#include "multiplelinearregressionset.h"
 
 // Bring std types into scope for compatibility
using std::string;
using std::vector;
using std::map;
 
// Forward declarations
class QTableWidget;
class QJsonObject;
class QFile;
class CMBVector;
 
struct element_information
{
    enum class role {
        do_not_include,  
        isotope,         
        particle_size,   
        element,         
        organic_carbon   
    } Role = role::element;
 
    double standard_ratio;      
    string base_element;        
    bool include_in_analysis = true;  
};
 
class Elemental_Profile : public map<string, double>, public Interface
{
public:
    // =========================================================================
    // CONSTRUCTION AND ASSIGNMENT
    // =========================================================================
 
    Elemental_Profile();
 
    Elemental_Profile(const Elemental_Profile& other);
 
    Elemental_Profile& operator=(const Elemental_Profile& other);
 
    // Default destructor is sufficient (Rule of Zero for other members)
 
    // =========================================================================
    // ELEMENT ACCESS AND MODIFICATION
    // =========================================================================
 
    double GetValue(const string& name) const;
 
    bool SetValue(const string& name, double val);
 
    bool AppendElement(const string& name, double val = 0.0);
 
    bool Contains(const string& name) const;
 
    vector<double> GetAllValues() const;
 
    vector<string> GetElementNames() const;
 
    // =========================================================================
    // QUALITY CONTROL - MARKING SYSTEM
    // =========================================================================
 
    bool SetMarked(const string& name, bool marked);
 
    bool IsMarked(const string& name) const;
 
    // =========================================================================
    // STATISTICAL OPERATIONS
    // =========================================================================
 
    double GetMinimum() const;
 
    double GetMaximum() const;
 
    double CalculateDotProduct(const CMBVector& weights) const;
 
    CMBVector SortByConcentration(bool ascending = true) const;
 
    vector<string> SelectTopElements(int n, bool ascending = true) const;
 
    // =========================================================================
    // PROFILE EXTRACTION AND FILTERING
    // =========================================================================
 
    Elemental_Profile CreateAnalysisProfile(
        const map<string, element_information>* elementinfo = nullptr) const;
 
    Elemental_Profile ExtractChemicalElements(
        const map<string, element_information>* elementinfo,
        bool include_isotopes = false) const;
 
    Elemental_Profile ExtractElements(const vector<string>& element_names) const;
 
    // =========================================================================
    // CORRECTIONS AND TRANSFORMATIONS
    // =========================================================================
 
    Elemental_Profile ApplyOrganicMatterAndSizeCorrections(
        const vector<double>& reference_om_size,
        const MultipleLinearRegressionSet* regression_models,
        const map<string, element_information>* elementinfo = nullptr) const;
 
    Elemental_Profile CreateCorrectedProfile(
        bool exclude_elements,
        bool apply_corrections,
        const vector<double>& reference_om_size,
        const MultipleLinearRegressionSet* regression_models = nullptr,
        const map<string, element_information>* elementinfo = nullptr) const;
 
    // =========================================================================
    // ANALYSIS INCLUSION FLAGS
    // =========================================================================
 
    bool IsIncludedInAnalysis() const { return included_in_analysis_; }
 
    void SetIncludedInAnalysis(bool included) { included_in_analysis_ = included; }
 
    // =========================================================================
    // SERIALIZATION AND I/O (from Interface base class)
    // =========================================================================
 
    string ToString() const override;
 
    QTableWidget* ToTable() override;
 
    std::unique_ptr<QTableWidget> CreateTableUnique() const;
 
    bool writetofile(QFile* file) override;
 
    bool Read(const QStringList& string_list) override;
 
    QJsonObject toJsonObject() const override;
 
    bool ReadFromJsonObject(const QJsonObject& json) override;
 
private:
    // =========================================================================
    // PRIVATE MEMBER VARIABLES
    // =========================================================================
 
    bool included_in_analysis_ = true;
 
    map<string, bool> marked_elements_;
};
 
// =============================================================================
// DEPRECATED METHOD ALIASES (for backward compatibility)
// =============================================================================
// These will be removed in v3.0
 
namespace {
    // Provide deprecated aliases during transition period
    // Usage: auto val = profile.Val("Al");  // Warns but works
}
 
#endif // ELEMENTAL_PROFILE_H