1 /* massXpert - the true massist's program. 2 -------------------------------------- 3 Copyright(C) 2006,2007 Filippo Rusconi 4 5 http://www.massxpert.org/massXpert 6 7 This file is part of the massXpert project. 8 9 The massxpert project is the successor to the "GNU polyxmass" 10 project that is an official GNU project package(see 11 www.gnu.org). The massXpert project is not endorsed by the GNU 12 project, although it is released ---in its entirety--- under the 13 GNU General Public License. A huge part of the code in massXpert 14 is actually a C++ rewrite of code in GNU polyxmass. As such 15 massXpert was started at the Centre National de la Recherche 16 Scientifique(FRANCE), that granted me the formal authorization to 17 publish it under this Free Software License. 18 19 This software is free software; you can redistribute it and/or 20 modify it under the terms of the GNU General Public 21 License version 3, as published by the Free Software Foundation. 22 23 24 This software is distributed in the hope that it will be useful, 25 but WITHOUT ANY WARRANTY; without even the implied warranty of 26 MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU 27 General Public License for more details. 28 29 You should have received a copy of the GNU General Public License 30 along with this software; if not, write to the 31 32 Free Software Foundation, Inc., 33 34 51 Franklin St, Fifth Floor, Boston, MA 02110-1301, USA. 35 */ 36 37 #ifndef FRAGMENTATION_DLG_HPP 38 #define FRAGMENTATION_DLG_HPP 39 40 41 /////////////////////// Qt includes 42 #include <QMainWindow> 43 #include <QSortFilterProxyModel> 44 45 46 /////////////////////// Local includes 47 #include "ui_fragmentationDlg.h" 48 #include "fragmenter.hpp" 49 #include "sequenceEditorWnd.hpp" 50 #include "fragmentOligomerTableViewModel.hpp" 51 #include "fragmentOligomerTableViewSortProxyModel.hpp" 52 #include "fragOptions.hpp" 53 54 55 namespace massXpert 56 { 57 58 class FragmentOligomerTableViewModel; 59 class FragmentOligomerTableViewSortProxyModel; 60 61 class FragmentationDlg : public QDialog 62 { 63 Q_OBJECT 64 65 private: 66 Ui::FragmentationDlg m_ui; 67 SequenceEditorWnd *mp_editorWnd; 68 69 // The results-exporting strings. //////////////////////////////// 70 QString *mpa_resultsString; 71 QString m_resultsFilePath; 72 //////////////////////////////////// The results-exporting strings. 73 74 OligomerList m_oligomerList; 75 76 const QPointer<Polymer> mp_polymer; 77 const PolChemDef *mp_polChemDef; 78 CalcOptions m_calcOptions; 79 const IonizeRule *mp_ionizeRule; 80 81 Fragmenter *mpa_fragmenter; 82 83 FragmentOligomerTableViewModel *mpa_oligomerTableViewModel; 84 FragmentOligomerTableViewSortProxyModel *mpa_proxyModel; 85 86 void closeEvent(QCloseEvent *event); 87 88 // For the filtering of the data in the treeview. 89 QAction *filterAct; 90 double m_tolerance; 91 QWidget *mp_focusWidget; 92 93 void setupTableView(); 94 95 public: 96 FragmentationDlg(QWidget *, 97 Polymer *, const PolChemDef *, 98 const CalcOptions &, const IonizeRule *); 99 100 ~FragmentationDlg(); 101 102 bool populateSelectedOligomerData(); 103 void populateFragSpecList(); 104 105 SequenceEditorWnd *editorWnd(); 106 107 void updateFragmentationDetails(const CalcOptions &); 108 void updateOligomerSequence(QString *); 109 110 bool calculateTolerance(double); 111 112 // The results-exporting functions. //////////////////////////////// 113 void prepareResultsTxtString(); 114 bool exportResultsClipboard(); 115 bool exportResultsFile(); 116 bool selectResultsFile(); 117 //////////////////////////////////// The results-exporting functions. 118 119 public slots: 120 void fragment(); 121 void exportResults(int); 122 void filterOptions(bool); 123 void filterOptionsToggled(); 124 void filterPattern(); 125 void filterMonoMass(); 126 void filterAvgMass(); 127 void filterCharge(); 128 }; 129 130 } // namespace massXpert 131 132 133 #endif // FRAGMENTATION_DLG_HPP 134 135