cFormulaPredictor.h

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#ifndef _CFORMULAPREDICTOR_H
#define _CFORMULAPREDICTOR_H
 
#include <QWidget>
#include <QDesktopServices>
#include <QToolBar>
#include <QMenuBar>
#include <QMenu>
#include <QUrl>
#include <QFileInfo>
#include <QMainWindow>
#include <QTextDocument>
#include <QTableView>
#include <QStandardItemModel>
#include <QStandardItem>
#include <QHeaderView>
#include <QProgressDialog>
#include <QTextStream>
#include "core/cGlobalPreferences.h"
#include "core/cPeaksList.h"
#include "gui/cViewButtonDelegate.h"
#include "gui/cFragmentIonsListWidget.h"
#include "gui/cNeutralLossesListWidget.h"
#include "gui/cSpectrumDetailProxyModel.h"
#include "gui/cEventFilter.h"
#include "gui/cPubChemSearchWidget.h"
#include "parallel/cFormulaPredictorThread.h"
 
 
// forward declaration
class QTextBrowser;
class QHBoxLayout;
class QVBoxLayout;
class QFormLayout;
class QCheckBox;
class QPushButton;
class QSplitter;
class QComboBox;
class QDoubleSpinBox;
class QSpinBox;
class QAction;
class QLabel;
class QLineEdit;
 
 
class cFormulaPredictor : public QMainWindow
{
    Q_OBJECT
 
public:
 
 
    cFormulaPredictor(cGlobalPreferences* globalpreferences, QWidget *parent);
 
 
    ~cFormulaPredictor();
 
 
    void closeEvent(QCloseEvent *event);
 
 
    void applyGlobalPreferences();
 
 
protected:
 
 
    void keyPressEvent(QKeyEvent *event);
 
 
private:
 
    cGlobalPreferences* globalpreferences;
    QWidget* parent;
 
    cFormulaPredictorThread* formulapredictorthread;
    int chargevalue;
    int maximumcombinedelements;
    bool basicformulacheck;
    bool advancedformulacheck;
    bool noratiocheck;
    double mzvalue;
    double mzerror;
    vector<cIonType> selectedions;
    vector<string> selectedelements;
    vector<cFormulaPredictorRowItem> ionitems;
    bool success;
    bool terminatecomputation;
    string errmsg;
 
    map<string, int> pchemdata;
 
    QMenuBar* menuBar;
    QMenu* menuFile;
    QMenu* menuSearch;
    QMenu* menuHelp;
 
    QToolBar* toolbarFile;
    QToolBar* toolbarSearch;
    QToolBar* toolbarHelp;
 
    QAction* actionExportTable;
    QAction* actionCloseWindow;
    QAction* actionSearchPubChem; 
    QAction* actionHTMLDocumentation;
 
    QDoubleSpinBox* doublespinboxmz;
    QSpinBox* spinboxcharge;
    QDoubleSpinBox* doublespinboxmzerror;
    cFragmentIonsListWidget* widgetiontypes;
    cNeutralLossesListWidget* widgetelements;
    QSpinBox* spinboxmaximumcombinedelements;
    QCheckBox* checkboxbasicformula;
    QCheckBox* checkboxadvancedformula;
    QCheckBox* checkboxnoratio;
    QPushButton* predictbutton;
    QPushButton* cancelbutton;
 
    QFormLayout* formlayout;
    QWidget* formwidget;
 
    QTableView* peakstable;
    QStandardItemModel* peakstablemodel;
    cSpectrumDetailProxyModel* proxymodel;
 
    QSplitter* vsplitter1;
    QSplitter* vsplitter2;
    QSplitter* hsplitter;
 
    void preparePeaksTable();
 
    void deleteTable();
 
 
private slots:
 
 
    void predictButtonReleased();
 
 
    void cancelButtonReleased();
 
 
    void exportTableToCSV();
 
 
    void showHTMLDocumentation();
 
 
    void closeWindow();
 
 
    void resetIonTypes();
 
 
    void formulaPredictorThreadFinished();
 
 
    void searchPubChem();
 
};
 
#endif